#------------------------------------------------------------------------------
#$Date: 2019-01-16 15:04:31 +0200 (Wed, 16 Jan 2019) $
#$Revision: 213150 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/14/2021434.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2021434
_cod_data_source_file            zb5035.rtv
_cod_data_source_block           ZRP_10_publ
_cod_depositor_comments
;
Diffraction data file was created by concatenating zb5035sup3.hkl and
zb5035sup2.rtv supplementary material files.

Andrius Merkys
2019-01-16
;
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261.0 0.00382 255.84491 2.56252
261.0 0.00382 255.85004 2.33294
261.0 0.00382 255.85516 2.11419
260.0 0.00383 255.86026 1.90631
260.0 0.00383 255.86539 1.71232
260.0 0.00383 255.87051 1.53410
259.0 0.00385 255.87561 1.37278
259.0 0.00385 255.88074 1.23484
258.0 0.00386 255.88586 1.10768
258.0 0.00386 255.89099 0.99715
258.0 0.00386 255.89609 0.90263
258.0 0.00386 255.90121 0.82313
258.0 0.00386 255.90634 0.75736
257.0 0.00388 255.91144 0.70415
257.0 0.00388 255.91656 0.66406
257.0 0.00388 255.92169 0.63216
257.0 0.00388 255.92679 0.60885
257.0 0.00388 255.93192 0.59317
257.0 0.00388 256.02304 0.58427
257.0 0.00388 256.11417 0.58146
257.0 0.00388 256.20532 0.58437
257.0 0.00388 256.29639 0.59287
257.0 0.00388 256.38754 0.60722
257.0 0.00388 256.47867 0.62794
257.0 0.00388 256.56982 0.65593
258.0 0.00386 256.66095 0.69237
258.0 0.00386 256.75204 0.73872
258.0 0.00386 256.84317 0.79681
258.0 0.00386 256.93430 0.87366
258.0 0.00386 257.02545 0.96143
258.0 0.00386 257.11658 1.06693
259.0 0.00385 257.20767 1.19246
259.0 0.00385 257.29883 1.34031
259.0 0.00385 257.38992 1.51274
260.0 0.00383 257.48108 1.70792
260.0 0.00383 257.57224 1.93232
260.0 0.00383 257.66330 2.18403
260.0 0.00383 257.75446 2.46350
261.0 0.00382 257.84555 2.77654
261.0 0.00382 257.93674 3.10863
262.0 0.00380 258.02783 3.46411
262.0 0.00380 258.11893 3.83956
262.0 0.00380 258.21008 4.23204
263.0 0.00379 258.30118 4.63614
263.0 0.00379 258.39233 5.04869
264.0 0.00377 258.48349 5.46361
265.0 0.00376 258.57455 5.87553
265.0 0.00376 258.66571 6.28006
265.0 0.00376 258.75684 6.65699
266.0 0.00375 258.84799 7.03191
266.0 0.00375 258.93912 7.38637
266.0 0.00375 259.03018 7.71802
266.0 0.00375 259.12134 8.02653
267.0 0.00373 259.21243 8.31229
267.0 0.00373 259.30362 8.57797
267.0 0.00373 259.39474 8.83076
267.0 0.00373 259.48584 9.06864
267.0 0.00373 259.57697 9.30063
267.0 0.00373 259.66809 9.53133
268.0 0.00372 259.75925 9.76509
268.0 0.00372 259.85037 10.00427
269.0 0.00370 259.94144 10.24961
269.0 0.00370 260.03262 10.50059
270.0 0.00369 260.12372 10.75305
270.0 0.00369 260.21487 11.00236
271.0 0.00368 260.30600 11.24152
271.0 0.00368 260.39709 11.46557
272.0 0.00366 260.48825 11.66007
272.0 0.00366 260.57935 11.81938
273.0 0.00365 260.67050 11.93628
273.0 0.00365 260.76163 12.00476
273.0 0.00365 260.85272 12.02116
273.0 0.00365 260.94388 11.98393
273.0 0.00365 261.03497 11.89375
273.0 0.00365 261.12613 11.75288
272.0 0.00366 261.21729 11.56559
272.0 0.00366 261.30835 11.33753
271.0 0.00368 261.39951 11.07511
271.0 0.00368 261.49060 10.78608
270.0 0.00369 261.58179 10.47833
269.0 0.00370 261.67288 10.16036
269.0 0.00370 261.76398 9.84087
268.0 0.00372 261.85513 9.52477
268.0 0.00372 261.94623 9.21904
267.0 0.00373 262.03738 8.92759
267.0 0.00373 262.12854 8.65346
267.0 0.00373 262.21960 8.39801
267.0 0.00373 262.31079 8.16111
267.0 0.00373 262.40189 7.94265
267.0 0.00373 262.49304 7.73244
267.0 0.00373 262.58417 7.54757
267.0 0.00373 262.67523 7.37825
267.0 0.00373 262.76639 7.22362
267.0 0.00373 262.85748 7.08345
267.0 0.00373 262.94867 6.95715
267.0 0.00373 263.03979 6.84434
267.0 0.00373 263.13089 6.74442
267.0 0.00373 263.22205 6.65654
267.0 0.00373 263.31314 6.58015
267.0 0.00373 263.40430 6.51463
266.0 0.00375 263.49542 6.45987
266.0 0.00375 263.58649 6.41618
266.0 0.00375 263.67767 6.38434
266.0 0.00375 263.76877 6.36579
266.0 0.00375 263.85992 6.36226
265.0 0.00376 263.95105 6.37573
265.0 0.00376 264.04214 6.41011
266.0 0.00375 264.13330 6.46280
266.0 0.00375 264.22440 6.53653
266.0 0.00375 264.31555 6.63119
266.0 0.00375 264.40668 6.74536
266.0 0.00375 264.49777 6.87641
267.0 . . .
267.0 . . .
267.0 . . .
267.0 . . .
268.0 . . .
268.0 . . .
268.0 . . .
269.0 . . .
269.0 . . .
268.0 . . .
268.0 . . .
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268.0 . . .
268.0 . . .
267.0 . . .
267.0 . . .
267.0 . . .
267.0 . . .
267.0 . . .
267.0 . . .
267.0 . . .
267.0 . . .
267.0 . . .
266.0 . . .
266.0 . . .
266.0 . . .
267.0 . . .
267.0 . . .
266.0 . . .
267.0 . . .
267.0 . . .
267.0 . . .
267.0 . . .
267.0 . . .
267.0 . . .
266.0 . . .
266.0 . . .
266.0 . . .
266.0 . . .
267.0 . . .
266.0 . . .
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266.0 . . .
266.0 . . .
265.0 . . .
266.0 . . .
265.0 . . .
265.0 . . .
265.0 . . .
264.0 . . .
264.0 . . .
264.0 . . .
263.0 . . .
263.0 . . .
263.0 . . .
263.0 . . .
262.0 . . .
262.0 . . .
262.0 . . .
262.0 . . .
261.0 . . .
261.0 . . .
261.0 . . .
261.0 . . .
261.0 . . .
261.0 . . .
261.0 . . .
261.0 . . .
261.0 . . .
261.0 . . .
261.0 . . .
261.0 . . .
261.0 . . .
261.0 . . .
261.0 . . .
261.0 . . .
262.0 . . .
262.0 . . .
262.0 . . .
262.0 . . .
263.0 . . .
263.0 . . .
263.0 . . .
263.0 . . .
263.0 . . .
264.0 . . .
264.0 . . .
264.0 . . .
264.0 . . .
264.0 . . .
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264.0 . . .
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266.0 . . .
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266.0 . . .
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266.0 . . .
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263.0 . . .
263.0 . . .
262.0 . . .
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262.0 . . .
261.0 . . .
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261.0 . . .
262.0 . . .
261.0 . . .
261.0 . . .
261.0 . . .
261.0 . . .
261.0 . . .
261.0 . . .
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261.0 . . .
262.0 . . .
262.0 . . .
262.0 . . .
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_observed_status
_refln_F_squared_meas
_refln_F_squared_calc
_refln_phase_calc
_refln_d_spacing
_gsas_i100_meas
1 0 -1 o 5.992 48.542 0.00 7.72130 0.04
0 0 2 o 18649.592 17489.719 0.00 6.80088 34.42
1 0 1 o 81.326 74.937 180.00 6.48200 0.27
0 1 1 o 0.000 9.446 180.00 4.62025 0.00
1 0 -3 o 0.000 244.691 0.00 4.34422 0.00
1 1 -1 o 17774.215 18662.043 0.00 4.14464 89.11
2 0 0 o 18728.496 19354.568 180.00 4.09869 46.30
1 1 0 o 16.180 20.156 0.00 4.21367 0.09
0 1 2 o 9.765 9.778 0.00 3.98216 0.03
1 1 1 o 22.490 17.477 0.00 3.91508 0.08
2 0 -2 o 495.004 708.872 180.00 3.86065 0.87
1 0 3 o 0.000 380.563 0.00 3.67437 0.00
1 1 -2 o 0.000 152.037 0.00 3.75516 0.00
0 0 4 o 82.052 259.620 0.00 3.40044 0.04
1 1 2 o 0.113 1.717 180.00 3.43058 0.00
0 1 3 o 0.003 0.003 0.00 3.33172 0.00
1 1 -3 o 60955.32 62663.29 0.00 3.25424 100.00
2 0 2 o 64230.40 65201.46 180.00 3.24100 53.07
2 1 -1 o 60.487 67.825 180.00 3.17268 0.19
2 1 0 o 5.244 7.727 180.00 3.14710 0.02
2 1 -2 o 184.965 317.807 0.00 3.03541 0.45
2 0 -4 o 11503.222 13743.802 180.00 2.91233 6.57
2 1 1 o 125.776 161.670 180.00 2.96958 0.27
1 1 3 o 12284.054 13939.179 0.00 2.94233 14.26
0 1 4 o 232.123 259.149 0.00 2.79592 0.20
1 1 -4 o 17.909 17.399 0.00 2.78692 0.02
1 0 -5 o 95.209 400.157 180.00 2.74780 0.03
2 1 -3 o 40.057 38.012 180.00 2.78929 0.06
3 0 -1 o 315.471 280.911 0.00 2.78640 0.39
2 1 2 o 113.862 123.829 0.00 2.70526 0.16
3 0 1 o 0.000 11.730 0.00 2.58302 0.00
1 1 4 o 0.037 6.859 180.00 2.52491 0.00
3 0 -3 o 0.000 129.696 180.00 2.57377 0.00
2 1 -4 o 88.903 108.871 0.00 2.50516 0.09
1 0 5 o 437.330 444.901 0.00 2.44282 0.11
2 1 3 o 279.866 280.482 180.00 2.42042 0.25
0 2 0 o 49150.35 48466.57 180.00 2.45617 47.64
1 1 -5 o 12279.672 12075.297 0.00 2.39812 7.81
2 0 4 o 17200.691 16956.029 180.00 2.39651 5.51
0 1 5 o 3.617 3.862 0.00 2.37981 0.00
3 1 -1 o 37845.58 37353.29 180.00 2.42365 71.44
0 2 1 o 2905.381 2854.860 0.00 2.41707 5.08
3 1 0 o 3343.346 3343.317 180.00 2.38790 5.74
3 1 -2 o 2269.963 2318.586 0.00 2.38423 3.86
1 2 0 o 70.360 113.965 180.00 2.35282 0.12
1 2 -1 o 5.109 14.383 0.00 2.34060 0.01
0 2 2 o 437.290 1008.782 180.00 2.31012 0.59
0 0 6 o 648.149 1546.358 180.00 2.26696 0.13
1 2 1 o 223.358 438.547 0.00 2.29680 0.34
3 1 1 o 650.105 1146.007 180.00 2.28622 0.87
3 1 -3 o 731.680 1294.925 180.00 2.27980 0.96
2 1 -5 o 177.883 242.460 0.00 2.23071 0.12
1 2 -2 o 34.712 101.095 180.00 2.26318 0.05
1 1 5 o 34053.750 35139.37 0.00 2.18729 17.00
2 0 -6 o 25953.336 25585.320 180.00 2.17211 6.41
3 0 3 o 129.617 119.558 0.00 2.16067 0.05
2 1 4 o 120.744 109.459 180.00 2.15386 0.07
3 0 -5 o 723.506 651.116 180.00 2.14986 0.26
1 2 2 o 581.040 601.437 180.00 2.18587 0.67
0 2 3 o 7889.517 7227.540 0.00 2.15963 7.58
3 1 2 o 8076.558 7161.959 180.00 2.14139 7.73
1 2 -3 o 257.626 227.894 180.00 2.13809 0.26
3 1 -4 o 8406.012 7488.476 0.00 2.13348 7.91
1 1 -6 o 185.781 215.326 180.00 2.08593 0.08
2 2 -1 o 14.195 14.458 180.00 2.11446 0.02
2 2 0 o 10094.918 10739.912 0.00 2.10683 14.09
0 1 6 o 216.285 310.891 0.00 2.05835 0.09
4 0 -2 o 7636.770 9411.804 0.00 2.07784 5.17
2 2 -2 o 3149.305 4093.488 0.00 2.07232 3.96
2 2 1 o 5.248 8.034 180.00 2.05100 0.01
4 0 0 o 1962.937 3079.614 0.00 2.04934 1.22
1 2 3 o 56.940 109.235 0.00 2.04196 0.05
0 2 4 o 11969.595 10732.313 180.00 1.99108 8.13
1 2 -4 o 989.182 903.826 180.00 1.98782 0.73
2 1 -6 o 883.334 818.583 0.00 1.98657 0.42
1 0 -7 o 1.578 1.547 0.00 1.97975 0.00
3 1 3 o 16490.385 16348.737 180.00 1.97780 11.20
3 1 -5 o 15867.813 16460.902 180.00 1.96950 10.60
2 2 -3 o 75.049 67.854 0.00 1.98868 0.07
2 2 2 o 22221.389 23144.318 0.00 1.95754 20.30
2 1 5 o 4.376 6.967 0.00 1.92013 0.00
1 1 6 o 2.863 4.872 180.00 1.91745 0.00
4 0 -4 o 19934.672 24472.486 0.00 1.93032 8.83
4 1 -1 o 36.614 57.271 180.00 1.92131 0.04
1 2 4 o 91.514 105.277 180.00 1.88585 0.05
4 1 -2 o 13.273 25.514 0.00 1.91369 0.02
4 1 0 o 623.307 844.622 180.00 1.89135 0.67
2 2 -4 o 16960.686 17667.746 0.00 1.87758 12.61
4 1 -3 o 5.490 5.779 180.00 1.86979 0.01
2 2 3 o 6.873 9.551 0.00 1.84110 0.00
2 0 6 o 1526.659 2804.264 180.00 1.83719 0.25
4 0 2 o 16634.203 17242.932 0.00 1.86393 6.20
1 1 -7 o 1087.987 2160.329 0.00 1.83623 0.35
1 2 -5 o 65.966 221.419 180.00 1.83123 0.04
0 2 5 o 3.007 173.934 0.00 1.82304 0.00
3 2 -1 o 63.709 80.295 180.00 1.84252 0.07
3 1 4 o 0.000 231.093 180.00 1.81363 0.00
1 0 7 o 0.000 8.434 180.00 1.81271 0.00
0 1 7 o 0.000 26.793 180.00 1.80689 0.00
3 1 -6 o 0.000 680.919 0.00 1.80563 0.00
4 1 1 o 0.206 1.004 0.00 1.82877 0.00
3 2 0 o 2.190 16.683 0.00 1.82667 0.00
3 2 -2 o 1.501 19.390 0.00 1.82502 0.00
2 1 -7 o 0.000 1069.467 0.00 1.77714 0.00
4 1 -4 o 0.000 285.926 0.00 1.79659 0.00
3 0 5 o 0.000 23.317 180.00 1.76291 0.00
3 2 1 o 0.000 17.947 0.00 1.77993 0.00
3 0 -7 o 0.000 237.885 180.00 1.75410 0.00
2 2 -5 o 0.000 98.264 0.00 1.75335 0.00
3 2 -3 o 0.000 126.896 0.00 1.77689 0.00
1 2 5 o 1.278 2.028 180.00 1.73203 0.00
2 1 6 o 2628.155 2536.432 180.00 1.72078 0.84
4 1 2 o 0.000 15.227 0.00 1.74269 0.00
2 2 4 o 5316.314 4669.124 0.00 1.71529 2.68
4 1 -5 o 69.992 71.033 0.00 1.70398 0.04
1 1 7 o 14112.188 16296.784 0.00 1.70062 3.83
0 0 8 o 30976.443 36371.61 0.00 1.70022 3.60
4 0 -6 o 5662.328 8577.658 0.00 1.69426 1.40
2 0 -8 o 8253.746 13762.008 180.00 1.69214 1.11
3 2 2 o 241.232 215.410 0.00 1.70897 0.17
3 2 -4 o 75.707 74.150 0.00 1.70494 0.05
1 2 -6 o 157.634 351.434 180.00 1.68038 0.06
0 2 6 o 6246.997 7577.010 180.00 1.66586 2.27
3 1 5 o 6465.754 7395.404 180.00 1.65929 2.36
3 1 -7 o 5630.971 7764.883 180.00 1.65194 2.03
5 0 -1 o 0.024 0.029 0.00 1.66695 0.00
4 1 3 o 0.951 1.905 0.00 1.64320 0.00
1 1 -8 o 229.996 322.738 180.00 1.63486 0.06
5 0 -3 o 796.094 1324.442 0.00 1.64848 0.33
2 2 -6 o 18085.744 19318.002 0.00 1.62712 7.47
3 2 3 o 100.899 104.497 180.00 1.62229 0.06
4 0 4 o 20283.291 21003.010 0.00 1.62050 4.22
3 2 -5 o 801.453 825.582 0.00 1.61770 0.43
0 1 8 o 0.721 0.742 180.00 1.60671 0.00
0 3 1 o 173.672 180.860 0.00 1.62571 0.14
4 1 -6 o 59.020 61.630 180.00 1.60167 0.03
2 1 -8 o 49.643 52.522 180.00 1.59988 0.01
2 2 5 o 15.222 17.494 180.00 1.59000 0.01
1 2 6 o 173.848 202.747 0.00 1.58848 0.06
1 3 0 o 955.365 976.208 0.00 1.60572 0.79
1 3 -1 o 8586.920 8913.910 180.00 1.60182 7.01
0 3 2 o 77.598 87.347 180.00 1.59195 0.06
5 0 1 o 80.513 91.422 180.00 1.59109 0.03
4 2 -1 o 653.899 745.054 180.00 1.59067 0.53
1 3 1 o 943.607 1108.938 180.00 1.58757 0.73
4 2 -2 o 8075.096 9601.080 180.00 1.58634 6.47
5 1 -2 o 562.810 698.278 180.00 1.58120 0.45
5 1 -1 o 6619.412 8382.014 0.00 1.57854 5.27
1 3 -2 o 810.938 1047.226 0.00 1.57634 0.60
4 2 0 o 1960.197 2613.583 180.00 1.57355 1.49
2 1 7 o 406.629 794.904 0.00 1.55228 0.10
5 0 -5 o 661.300 852.539 180.00 1.54426 0.19
5 1 -3 o 686.204 1205.451 0.00 1.56283 0.51
4 2 -3 o 230.676 434.297 180.00 1.56107 0.17
1 2 -7 o 1076.884 1226.818 180.00 1.54138 0.32
1 0 -9 o 21.566 24.357 0.00 1.54105 0.00
4 1 4 o 240.921 254.315 0.00 1.53893 0.10
5 1 0 o 213.583 465.356 180.00 1.55515 0.15
1 3 2 o 74.975 132.610 180.00 1.54951 0.05
3 2 4 o 521.741 500.665 0.00 1.52794 0.22
1 1 8 o 9.907 9.555 0.00 1.52435 0.00
0 2 7 o 1727.031 1665.346 180.00 1.52390 0.48
3 2 -6 o 74.631 71.972 0.00 1.52314 0.03
0 3 3 o 238.451 258.761 0.00 1.54008 0.14
3 1 6 o 1773.426 1713.977 0.00 1.51934 0.50
4 2 1 o 35.888 36.163 0.00 1.53696 0.02
1 3 -3 o 25557.936 24617.258 180.00 1.53221 15.97
3 1 -8 o 1222.891 1148.222 180.00 1.51275 0.34
5 1 -4 o 39.758 38.156 180.00 1.52553 0.03
2 2 -7 o 14.633 12.856 180.00 1.50593 0.00
2 3 -1 o 707.504 680.493 180.00 1.52345 0.53
2 3 0 o 11.523 11.127 0.00 1.52059 0.01
4 2 -4 o 19363.332 18667.162 180.00 1.51771 11.87
4 1 -7 o 1.401 1.238 0.00 1.49734 0.00
5 1 1 o 24024.342 22704.129 0.00 1.51367 14.81
1 3 3 o 10730.700 9633.403 180.00 1.49565 5.88
2 3 -2 o 22.055 19.545 180.00 1.50746 0.02
4 2 2 o 10914.106 10375.415 180.00 1.48479 5.94
2 3 1 o 677.465 586.877 180.00 1.49919 0.46
0 3 4 o 221.532 219.623 180.00 1.47531 0.11
1 3 -4 o 10.145 10.197 180.00 1.47398 0.01
5 1 -5 o 8823.283 8944.327 0.00 1.47318 4.69
2 0 8 o 1948.489 1988.820 180.00 1.47175 0.19
2 2 6 o 2546.784 2617.739 0.00 1.47117 0.75
1 1 -9 o 4476.799 4609.692 0.00 1.47040 0.87
4 2 -5 o 97.908 93.544 0.00 1.46063 0.05
1 2 7 o 73.369 67.233 180.00 1.45851 0.02
5 1 2 o 55.473 50.686 0.00 1.45828 0.03
2 3 -3 o 3.849 3.856 0.00 1.47433 0.00
4 0 -8 o 4137.970 3664.008 0.00 1.45616 0.60
3 0 7 o 518.933 452.804 180.00 1.45468 0.06
5 0 3 o 120.272 104.133 0.00 1.45342 0.03
2 1 -9 o 373.661 319.064 0.00 1.45012 0.08
3 0 -9 o 511.700 431.194 0.00 1.44808 0.06
2 3 2 o 64.315 62.583 180.00 1.46150 0.04
0 1 9 o 283.565 225.278 180.00 1.44449 0.05
1 0 9 o 8011.498 5037.047 180.00 1.43692 0.69
4 1 5 o 113.408 68.925 180.00 1.43600 0.03
3 2 5 o 347.129 186.074 180.00 1.43219 0.11
1 3 4 o 2467.978 1274.561 180.00 1.43093 1.08
3 2 -7 o 971.328 479.873 0.00 1.42745 0.31
2 3 -4 o 804.034 393.595 0.00 1.42731 0.41
4 2 3 o 1299.266 711.349 0.00 1.42180 0.57
1 2 -8 o 380.079 263.464 0.00 1.41639 0.09
2 3 3 o 1.358 1.089 0.00 1.41109 0.00
5 1 -6 o 244.049 196.394 0.00 1.41046 0.10
2 1 8 o 269.573 215.971 180.00 1.40983 0.05
1 3 -5 o 7899.473 6329.038 180.00 1.40663 3.20
0 3 5 o 74.039 58.442 0.00 1.40290 0.03
0 2 8 o 42892.23 34807.809 180.00 1.39796 9.38
3 3 -1 o 63909.55 51274.42 0.00 1.41173 41.25
4 1 -8 o 5252.697 4350.777 180.00 1.39612 1.47
5 0 -7 o 694.318 583.009 180.00 1.39493 0.12
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