#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/34/2013444.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_2013444_Fobs
loop_
_publ_author_name
'Harvey, Miguel Angel'
'Baggio, Sergio'
'Mu\~noz, Juan Carlos'
'Baggio, Ricardo'
_publ_section_title
;
Bis[2,6-bis(1H-benzimidazol-2-yl-\kN^3^)pyridinato-\kN]zinc(II)
;
_journal_issue 7
_journal_name_full 'Acta Crystallographica Section C'
_journal_page_first m283
_journal_page_last m285
_journal_volume 59
_journal_year 2003
_space_group_IT_number 94
_symmetry_space_group_name_Hall 'P 4n 2n'
_symmetry_space_group_name_H-M 'P 42 21 2'
_cell_angle_alpha 90.000
_cell_angle_beta 90.000
_cell_angle_gamma 90.000
_cell_length_a 9.7411
_cell_length_b 9.7411
_cell_length_c 17.1075
_exptl_crystal_F_000 704.00
_reflns_d_resolution_high 0.7566
_[local]_cod_data_source_file ga1020Isup2.hkl
_[local]_cod_data_source_block I
#BEGIN Tags that were not found in dictionaries:
_shelx_title 'Zn_bbip in P4(2)2(1)2'
_shelx_refln_list_code 3
_shelx_f_calc_maximum 185.72
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'y, x, -z'
'-y, -x, -z'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_meas
_refln_F_sigma
_refln_A_calc
_refln_B_calc
1 1 0 37.5299 0.7008 39.8931 0.0000
0 2 0 73.4583 0.7247 -65.1127 0.0000
1 2 0 1.6084 1.9001 -2.7130 0.0000
2 2 0 11.4542 1.2916 11.6042 0.0000
1 3 0 38.6413 0.4065 40.7399 0.0000
2 3 0 10.8143 1.1792 -10.0903 0.0000
3 3 0 67.2991 0.9114 68.5494 0.0000
0 4 0 16.8340 0.8639 -16.2739 0.0000
1 4 0 0.8776 2.0323 -1.3401 0.0000
2 4 0 68.3941 0.5259 67.6059 0.0000
3 4 0 34.4281 0.8599 -34.3136 0.0000
4 4 0 15.7091 2.0555 16.6732 0.0000
1 5 0 21.8690 0.6192 23.6031 0.0000
2 5 0 13.0400 0.9135 12.0821 0.0000
3 5 0 29.2446 0.9618 30.9158 0.0000
4 5 0 11.2914 1.7583 12.7998 0.0000
5 5 0 21.0671 2.0813 22.8118 0.0000
0 6 0 49.5814 0.7940 49.5640 0.0000
1 6 0 19.9259 0.7290 -20.0447 0.0000
2 6 0 14.2500 0.9465 13.5503 0.0000
3 6 0 1.9668 3.2708 0.5772 0.0000
4 6 0 18.8702 1.3865 17.0958 0.0000
5 6 0 5.8361 3.6419 -6.7353 0.0000
6 6 0 4.1855 4.4686 4.3456 0.0000
1 7 0 24.2541 0.8096 24.5491 0.0000
2 7 0 9.5629 1.5832 -9.7478 0.0000
3 7 0 18.6772 1.1443 18.0631 0.0000
4 7 0 0.0000 3.5502 2.7660 0.0000
5 7 0 6.3620 2.9738 4.8114 0.0000
6 7 0 12.1744 2.2497 -11.7067 0.0000
7 7 0 13.5751 3.0933 16.9288 0.0000
0 8 0 21.3029 1.6571 20.4110 0.0000
1 8 0 6.3768 2.3628 -5.9661 0.0000
2 8 0 13.5017 1.4685 11.8597 0.0000
3 8 0 11.2022 1.6894 -11.9161 0.0000
4 8 0 29.7294 1.1309 29.5588 0.0000
5 8 0 1.5678 3.4211 -4.4661 0.0000
6 8 0 5.0219 4.0059 4.5616 0.0000
7 8 0 0.0000 3.9654 -1.4565 0.0000
8 8 0 6.8475 5.3108 11.3306 0.0000
1 9 0 4.6692 3.5864 3.7542 0.0000
2 9 0 7.9289 2.3848 8.9883 0.0000
3 9 0 7.6254 2.3157 8.0398 0.0000
4 9 0 17.9826 1.5555 -18.2760 0.0000
5 9 0 9.1677 2.2787 9.3591 0.0000
6 9 0 8.5044 2.8072 -7.4797 0.0000
7 9 0 2.7144 4.3564 3.1567 0.0000
8 9 0 2.0794 4.6962 -1.5863 0.0000
0 10 0 4.7100 4.7874 2.1367 0.0000
1 10 0 4.8621 3.8608 5.5182 0.0000
2 10 0 0.5120 3.7058 0.7126 0.0000
3 10 0 3.0297 3.9815 -2.5328 0.0000
4 10 0 10.0581 2.5023 11.5617 0.0000
5 10 0 2.4462 4.0178 -2.0960 0.0000
6 10 0 2.2154 4.2437 3.5944 0.0000
7 10 0 7.1748 4.6178 -4.1206 0.0000
1 11 0 6.8094 3.8211 7.8112 0.0000
2 11 0 3.2998 4.0704 -1.2731 0.0000
3 11 0 9.2298 3.1921 5.6616 0.0000
4 11 0 3.5607 4.5480 -2.0431 0.0000
5 11 0 3.7093 4.5536 5.1901 0.0000
6 11 0 5.2961 6.3809 -2.7887 0.0000
0 12 0 6.7304 5.5063 5.8891 0.0000
1 12 0 0.0000 4.6588 -0.4856 0.0000
2 12 0 3.0436 5.1419 2.7485 0.0000
3 12 0 0.0000 5.4210 0.1240 0.0000
4 12 0 0.0000 8.2850 -0.5292 0.0000
0 1 1 119.4944 0.3555 112.5949 0.0000
1 1 1 16.2864 0.4222 -15.5925 0.0000
0 2 1 45.9604 0.7842 0.0000 47.8923
1 2 1 23.0389 0.2779 22.3758 9.6404
2 2 1 22.5487 0.7258 22.6302 0.0000
0 3 1 47.5257 0.4014 47.7003 0.0000
1 3 1 23.8147 0.3269 -21.7761 -8.2755
2 3 1 47.3788 0.3633 47.5922 0.3471
3 3 1 35.6138 0.7650 -34.2536 0.0000
0 4 1 32.9972 0.4743 0.0000 32.9151
1 4 1 21.0624 0.3897 21.6622 1.7283
2 4 1 9.5143 0.7614 -9.4266 2.2832
3 4 1 44.9552 0.5779 38.9443 -21.6811
4 4 1 0.0000 3.3141 0.7285 0.0000
0 5 1 44.9527 0.5134 44.6241 0.0000
1 5 1 13.0033 0.5716 -10.6525 -7.7898
2 5 1 15.4216 0.5807 15.4627 -1.3520
3 5 1 15.7180 0.8541 12.1956 7.6450
4 5 1 34.3738 0.7201 33.2517 2.6009
5 5 1 0.0000 3.4074 0.0861 0.0000
0 6 1 16.5992 0.8210 0.0000 -16.0767
1 6 1 27.4284 0.4507 27.1980 -6.8980
2 6 1 14.4008 0.6934 -12.8802 -1.6480
3 6 1 18.9839 0.8086 18.3880 3.7183
4 6 1 12.4396 1.2343 -1.4207 12.3701
5 6 1 15.9651 1.2763 11.5509 10.9037
6 6 1 6.0103 3.7051 -3.9003 0.0000
0 7 1 26.6994 0.7235 26.5050 0.0000
1 7 1 17.6257 0.6976 -17.0159 -2.0477
2 7 1 18.0909 0.7564 17.1842 5.8881
3 7 1 10.3843 1.2418 -9.3819 1.5634
4 7 1 21.9088 0.9395 17.6925 -13.2648
5 7 1 0.9345 3.0382 0.8011 0.1147
6 7 1 8.1777 1.9971 7.6283 2.9161
7 7 1 7.3031 3.2420 -7.6203 0.0000
0 8 1 7.5659 2.1493 0.0000 -6.4818
1 8 1 19.0625 0.8523 17.0222 -6.0920
2 8 1 11.2110 1.1822 12.3570 -2.2833
3 8 1 26.1066 0.7445 25.0290 -2.6162
4 8 1 15.4981 1.3999 -15.2859 -2.2046
5 8 1 5.6765 2.1991 4.7188 6.2401
6 8 1 12.5284 1.6264 -12.0073 -2.5514
7 8 1 9.9172 1.9666 9.8209 -3.5283
8 8 1 3.8168 4.2956 0.7842 0.0000
0 9 1 1.4933 3.4911 0.5383 0.0000
1 9 1 16.8658 1.1495 16.3749 6.2770
2 9 1 8.6422 1.5140 5.4601 6.1076
3 9 1 12.0351 1.2898 -10.8641 -1.5386
4 9 1 15.9117 1.1962 15.0038 3.4313
5 9 1 11.3840 1.4343 -11.2817 -0.4662
6 9 1 3.8639 3.2772 2.9554 -0.2254
7 9 1 3.1291 3.6691 -2.2064 0.5134
8 9 1 5.4507 4.0163 5.4965 0.0063
0 10 1 3.1286 3.9426 0.0000 3.1870
1 10 1 6.6251 2.3140 3.3184 3.7002
2 10 1 4.3204 3.1454 -4.0427 0.5087
3 10 1 3.2423 3.3169 3.5561 -0.6301
4 10 1 0.0000 3.2203 -2.2405 2.1557
5 10 1 6.9110 2.4457 7.5824 -4.5227
6 10 1 3.3536 3.5468 -2.2824 0.1733
7 10 1 3.9567 4.1106 4.8031 1.3420
0 11 1 8.5154 3.0841 7.4226 0.0000
1 11 1 3.8640 3.5452 -3.0062 -1.9625
2 11 1 4.7321 3.4849 4.6866 -0.9934
3 11 1 3.8967 3.5937 -1.6925 -1.0880
4 11 1 7.4903 2.9226 7.5831 0.3137
5 11 1 0.9774 3.8187 -0.4965 -0.7554
6 11 1 6.4074 5.6856 5.4424 -1.0563
0 12 1 0.0000 4.5395 0.0000 0.9046
1 12 1 6.5251 3.5442 5.7618 -1.1425
2 12 1 0.0000 4.3447 -0.2143 -1.4331
3 12 1 0.0000 4.5847 0.6905 0.4359
4 12 1 3.4582 5.9665 1.2027 1.9276
0 0 2 88.5008 0.5504 86.7229 0.0000
0 1 2 54.0063 0.6201 0.0000 55.7456
1 1 2 77.1086 0.3482 76.0037 0.0000
0 2 2 36.4663 0.4301 37.4018 0.0000
1 2 2 56.0696 0.3185 -49.9915 25.4293
2 2 2 48.4720 0.4257 49.8864 0.0000
0 3 2 9.4585 0.7609 0.0000 9.0017
1 3 2 29.7633 0.3229 29.1226 -7.4691
2 3 2 10.4095 0.5663 -4.4632 9.0441
3 3 2 52.3663 0.7363 52.2973 0.0000
0 4 2 34.4751 0.4914 35.9357 0.0000
1 4 2 16.3708 0.4340 -14.4373 -7.7002
2 4 2 36.4892 0.3883 37.1183 -3.8527
3 4 2 20.0282 0.6125 4.9184 19.6974
4 4 2 30.1727 0.9636 31.9711 0.0000
0 5 2 10.8390 0.8877 0.0000 10.2849
1 5 2 34.4994 0.3834 23.0450 -26.1286
2 5 2 17.2465 0.4969 -4.6132 -17.0230
3 5 2 32.5326 0.5779 25.6296 -21.5624
4 5 2 5.0562 2.2189 -2.3420 4.1746
5 5 2 25.8399 1.3218 26.2588 0.0000
0 6 2 31.3820 0.6239 31.3474 0.0000
1 6 2 0.7674 2.0821 -0.6565 0.3560
2 6 2 16.2798 0.7063 12.8687 7.8339
3 6 2 16.2577 0.8125 -10.6012 12.4249
4 6 2 23.4041 0.8656 23.6806 -0.4886
5 6 2 10.2195 1.5471 -0.4112 -10.5524
6 6 2 8.9747 2.6906 7.4471 0.0000
0 7 2 4.0323 2.6945 0.0000 1.8850
1 7 2 30.8715 0.5510 30.6035 -4.5068
2 7 2 9.6482 1.1332 -5.1803 -9.2909
3 7 2 11.9240 1.0477 10.8978 1.2818
4 7 2 18.9797 0.9434 -12.2259 13.7182
5 7 2 6.2342 2.3136 5.9005 0.8592
6 7 2 8.3781 1.9939 -2.6497 -7.4295
7 7 2 18.2291 2.0065 17.1976 0.0000
0 8 2 26.1357 1.0034 25.3083 0.0000
1 8 2 14.0101 0.9817 8.5148 -11.5982
2 8 2 12.3253 1.1183 8.9422 8.7301
3 8 2 7.1725 1.5956 -6.0839 -2.9412
4 8 2 13.4729 1.1720 13.1983 -0.0286
5 8 2 10.6840 1.4281 -11.2065 0.4515
6 8 2 9.1276 1.9468 9.2771 -1.7140
7 8 2 4.3867 3.4489 -3.7848 0.6260
8 8 2 8.0047 3.5905 6.6385 0.0000
0 9 2 2.3098 3.4789 0.0000 -0.1733
1 9 2 6.9865 1.9118 -0.4975 6.1712
2 9 2 4.0597 2.8094 0.2478 4.4077
3 9 2 19.7427 1.0206 19.4252 0.5280
4 9 2 7.3404 1.8959 -4.1974 7.2379
5 9 2 7.7385 1.9924 7.6329 2.1203
6 9 2 8.5675 2.0870 -6.9172 -6.9206
7 9 2 4.3964 3.6991 4.0323 2.3684
8 9 2 5.3831 4.0470 -2.6413 2.1070
0 10 2 3.4898 3.9490 -4.0577 0.0000
1 10 2 8.3778 1.9333 -1.6661 8.4858
2 10 2 9.3801 1.8504 9.3329 -0.2175
3 10 2 3.9744 3.3121 -3.1096 -2.1949
4 10 2 8.9800 1.8444 9.2708 -2.8145
5 10 2 4.4369 3.3248 -3.8771 -0.9306
6 10 2 5.3126 3.6338 2.9235 -2.1500
7 10 2 5.5944 4.5120 -3.5260 1.2193
8 10 2 7.9407 9.9365 2.7351 1.5222
0 11 2 0.4649 4.1072 0.0000 -2.5788
1 11 2 7.8542 2.4447 7.0908 2.4798
2 11 2 3.9758 3.5617 -2.5390 -3.5428
3 11 2 2.2814 3.5858 2.9158 -2.2451
4 11 2 0.0000 3.7796 -0.8671 -0.2447
5 11 2 5.1845 3.8766 3.5827 0.3245
6 11 2 6.4450 5.7909 -3.4613 1.1664
0 12 2 6.5295 4.8898 5.5094 0.0000
1 12 2 0.5096 4.1005 -2.1438 0.3253
2 12 2 0.0000 4.1994 3.7826 -0.3372
3 12 2 1.7613 5.3093 0.2376 0.1727
4 12 2 4.4480 6.2539 1.0465 0.1062
0 1 3 74.7601 0.3840 72.2682 0.0000
1 1 3 205.2643 0.3835 185.7213 0.0000
0 2 3 49.3224 0.3855 0.0000 49.7028
1 2 3 48.2626 0.3114 45.3577 17.6213
2 2 3 23.3392 0.5667 -23.4419 -0.0001
0 3 3 15.6288 0.6030 16.3109 0.0000
1 3 3 26.8601 0.3542 25.2840 3.7464
2 3 3 29.2428 0.3621 28.4609 9.9993
3 3 3 30.0449 0.4586 -31.2109 0.0000
0 4 3 14.1812 0.7136 0.0000 13.5119
1 4 3 53.0265 0.4050 45.2064 -28.2178
2 4 3 13.1730 0.5735 -10.9282 -7.9047
3 4 3 45.7826 0.4560 41.6609 -20.2556
4 4 3 5.2007 2.2807 4.8372 0.0000
0 5 3 14.2032 0.8236 14.3573 0.0000
1 5 3 32.5957 0.4146 -30.2591 -10.4068
2 5 3 46.8230 0.3875 39.7904 -23.8378
3 5 3 12.8411 0.7956 1.9962 12.4937
4 5 3 16.3441 1.0772 11.6939 -9.2262
5 5 3 7.7829 2.5738 -6.7876 0.0000
0 6 3 6.7147 1.4505 0.0000 6.2620
1 6 3 22.0457 0.5366 19.7107 -9.0096
2 6 3 12.8616 0.8000 -12.5937 -1.7618
3 6 3 24.1020 0.6523 23.4204 5.7673
4 6 3 9.1041 1.5860 -3.2694 8.9062
5 6 3 14.3936 1.2681 13.6797 -2.3431
6 6 3 3.5452 3.7810 4.6103 0.0000
0 7 3 22.1472 0.8475 22.5940 0.0000
1 7 3 6.9939 1.3611 4.4011 -6.1079
2 7 3 23.9403 0.6828 17.4763 16.9753
3 7 3 4.8001 2.0371 4.3050 3.6747
4 7 3 18.8999 0.9307 18.3465 -6.6380
5 7 3 16.7416 1.2549 -15.1751 -2.9729
6 7 3 11.8679 1.6268 10.6721 -2.6218
7 7 3 0.0000 3.8285 -4.2569 0.0000
0 8 3 11.8244 1.5113 0.0000 -11.5521
1 8 3 16.7876 0.8964 14.3967 6.7628
2 8 3 9.4933 1.2884 -1.2038 -9.8812
3 8 3 2.0484 2.7925 1.2454 -1.8112
4 8 3 9.6317 1.4629 -5.7796 8.0410
5 8 3 16.2786 1.1972 16.0485 4.5879
6 8 3 11.9109 2.1283 -9.3451 -6.1328
7 8 3 6.4111 2.7554 6.4380 -0.5446
8 8 3 0.0000 4.1364 -0.3867 0.0000
0 9 3 15.7225 1.5783 15.8640 0.0000
1 9 3 4.4556 2.8295 0.4049 5.5502
2 9 3 9.7335 1.3819 9.0577 1.5469
3 9 3 2.6764 2.8988 -3.3471 1.4854
4 9 3 7.0608 2.0029 6.1547 3.1825
5 9 3 4.0259 3.2258 -4.2717 -0.2727
6 9 3 5.4811 2.7945 6.1098 0.8041
7 9 3 6.8384 3.1088 -5.6940 0.2014
8 9 3 6.7725 3.7602 5.6117 1.1158
0 10 3 6.1429 3.8187 0.0000 6.3599
1 10 3 6.4037 2.3818 3.2719 4.5350
2 10 3 0.0000 3.2025 -2.0333 1.2948
3 10 3 12.5908 1.5021 12.9343 -4.4402
4 10 3 7.4156 2.0540 -5.5777 3.4193
5 10 3 6.9989 2.5235 6.3065 -0.5121
6 10 3 7.0055 2.8989 -2.5994 -2.5448
7 10 3 4.0066 4.6547 1.6249 -0.5561
0 11 3 4.1556 4.2597 3.1491 0.0000
1 11 3 0.0000 3.6221 -0.7500 -0.9626
2 11 3 2.6871 3.5179 4.3654 0.3032
3 11 3 4.0870 3.6414 -3.8364 -2.3829
4 11 3 4.8361 3.8445 2.1950 -0.5426
5 11 3 4.2421 4.4579 1.6595 -1.7667
6 11 3 1.9261 6.0134 4.3136 -1.9563
0 12 3 4.3332 4.8058 0.0000 -0.3647
1 12 3 4.0058 4.2572 3.7325 -1.4626
2 12 3 4.7946 5.1236 -2.4410 -0.9358
3 12 3 3.8677 6.1559 3.5225 0.3804
4 12 3 7.0932 8.8187 -1.1812 0.5621
0 0 4 39.1467 0.5227 -36.9989 0.0000
0 1 4 49.7701 0.4230 0.0000 51.5352
1 1 4 102.5345 0.4208 98.8026 0.0000
0 2 4 41.8167 0.3876 44.8025 0.0000
1 2 4 70.0150 0.3274 58.9044 34.2254
2 2 4 43.8083 0.5223 44.7333 0.0000
0 3 4 5.6878 1.1453 0.0000 6.4549
1 3 4 10.7442 0.5265 9.8283 -2.0673
2 3 4 16.3710 0.4853 -15.8110 -3.2730
3 3 4 41.9615 0.5709 40.9785 0.0000
0 4 4 23.9968 0.5614 26.0021 0.0000
1 4 4 11.1713 0.6133 -9.5168 -4.8317
2 4 4 57.6330 0.3608 54.5726 -18.6362
3 4 4 6.5951 1.0801 5.3766 1.0230
4 4 4 15.5933 1.3505 16.4362 0.0000
0 5 4 3.5536 2.2469 0.0000 -2.3586
1 5 4 30.6228 0.4410 30.2071 1.2806
2 5 4 26.2553 0.4559 -23.4733 11.8336
3 5 4 26.0721 0.5729 25.8175 -4.5290
4 5 4 12.3041 1.2322 -11.4312 5.0988
5 5 4 9.6758 2.1552 8.6341 0.0000
0 6 4 10.4506 1.2398 9.4234 0.0000
1 6 4 4.7163 1.5192 3.9214 -1.2625
2 6 4 28.1745 0.5431 27.6066 -4.4923
3 6 4 2.3627 2.4713 1.8563 -2.3489
4 6 4 15.9924 1.1411 16.3465 -1.1657
5 6 4 12.4892 1.3489 -6.7185 11.9890
6 6 4 13.8596 2.1241 14.4782 0.0000
0 7 4 14.6712 1.0698 0.0000 -14.0668
1 7 4 24.7181 0.6512 24.6132 -1.9483
2 7 4 9.0451 1.2338 -0.3274 -10.6228
3 7 4 5.4190 1.9071 2.3955 -3.5475
4 7 4 16.0719 1.0654 -10.1804 12.8764
5 7 4 19.5914 1.1255 18.9690 4.0196
6 7 4 8.0488 2.1443 -3.2156 -6.6401
7 7 4 11.3945 2.5364 10.9213 0.0000
0 8 4 29.3230 0.9699 29.9247 0.0000
1 8 4 6.8165 1.5445 0.9636 -6.6410
2 8 4 1.7351 2.7314 -2.5836 3.4325
3 8 4 8.5305 1.5479 0.6011 8.3787
4 8 4 1.9710 2.8953 2.6291 1.2948
5 8 4 12.1245 1.3628 -8.8658 -7.7867
6 8 4 14.4611 1.5429 14.7052 1.1316
7 8 4 6.3599 2.8043 -5.2526 -2.9893
8 8 4 4.1489 4.3027 3.4244 0.0000
0 9 4 12.3611 1.7437 0.0000 12.8763
1 9 4 8.8898 1.5906 7.2632 3.1048
2 9 4 6.6824 1.9589 -6.6758 -0.5937
3 9 4 15.6017 1.1676 15.7788 2.8859
4 9 4 5.5406 2.4743 4.0589 -2.5706
5 9 4 10.4741 1.6914 9.7850 -0.3500
6 9 4 4.1230 3.3692 -4.5177 1.8982
7 9 4 3.5049 3.7643 1.8118 -0.7059
8 9 4 6.1537 4.9412 -2.7315 0.1657
0 10 4 2.4744 3.9419 1.7071 0.0000
1 10 4 4.1771 3.2694 -1.9295 2.3896
2 10 4 14.0461 1.3785 13.6222 3.8891
3 10 4 5.6291 2.7011 -3.4897 0.8124
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5 10 4 5.3402 3.2923 -3.8812 -0.4670
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