#------------------------------------------------------------------------------
#$Date: 2019-11-26 07:19:03 +0200 (Tue, 26 Nov 2019) $
#$Revision: 242933 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/30/4133086.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4133086
loop_
_publ_author_name
'Carter, Joseph H.'
'Han, Xue'
'Moreau, Florian Y.'
'da Silva, Ivan'
'Nevin, Adam'
'Godfrey, Harry G. W.'
'Tang, Chiu C.'
'Yang, Sihai'
'Schröder, Martin'
_publ_section_title
;
 Exceptional Adsorption and Binding of Sulfur Dioxide in a Robust
 Zirconium-Based Metal-Organic Framework.
;
_journal_issue                   46
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15564
_journal_page_last               15567
_journal_paper_doi               10.1021/jacs.8b08433
_journal_volume                  140
_journal_year                    2018
_chemical_formula_moiety         'C44 H24 N2 O16 Zr3, 14.272(S O2)'
_chemical_formula_sum            'C44 H24 N2 O44.544 S14.272 Zr3'
_chemical_formula_weight         2024.656
_chemical_name_mineral           MFM-601_SO2
_space_group_IT_number           141
_space_group_name_Hall           '-I 4bd 2'
_space_group_name_H-M_alt        'I 41/a m d :2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.5600(3)
_cell_length_b                   20.5600(3)
_cell_length_c                   67.1128(11)
_cell_measurement_temperature    293
_cell_volume                     28369.5(7)
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'Diamond I11 Powder Diffractometer'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.826013
_diffrn_source                   Synchrotron
_exptl_crystal_density_diffrn    0.94801
_pd_meas_scan_method             continuous
_pd_proc_ls_prof_R_factor        5.55224246
_pd_proc_ls_prof_wR_expected     2.65301926
_pd_proc_ls_prof_wR_factor       7.32866397
_pd_spec_mounting                'borosilicate capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   2.76238627
_refine_ls_R_factor_all          3.10498504
_refine_ls_shift/su_max          0.001
_cod_data_source_file            ja8b08433_si_005.cif
_cod_data_source_block           MFM-601_SO2
_cod_original_cell_volume        28369.6(10)
_cod_original_sg_symbol_H-M      I41/amd:2
_cod_database_code               4133086
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z '
'-x, y, z '
'-x+1/2, -y, z+1/2 '
'-x+1/2, y, -z+1/2 '
'-y+1/4, -x+1/4, -z-1/4 '
'-y+1/4, x-1/4, z+1/4 '
'-y-1/4, -x+1/4, z-1/4 '
'-y-1/4, x-1/4, -z+1/4 '
'y+1/4, -x+1/4, z-1/4 '
'y+1/4, x-1/4, -z+1/4 '
'y-1/4, -x+1/4, -z-1/4 '
'y-1/4, x-1/4, z+1/4 '
'x, -y, -z '
'-x, -y, -z '
'x+1/2, -y, z+1/2 '
'x+1/2, y, -z+1/2 '
'x+1/2, y+1/2, z+1/2 '
'-x+1/2, y+1/2, z+1/2 '
'-x, -y+1/2, z '
'-x, y+1/2, -z '
'-y-1/4, -x-1/4, -z+1/4 '
'-y-1/4, x+1/4, z-1/4 '
'-y+1/4, -x-1/4, z+1/4 '
'-y+1/4, x+1/4, -z-1/4 '
'y-1/4, -x-1/4, z+1/4 '
'y-1/4, x+1/4, -z-1/4 '
'y+1/4, -x-1/4, -z+1/4 '
'y+1/4, x+1/4, z-1/4 '
'x+1/2, -y+1/2, -z+1/2 '
'-x+1/2, -y+1/2, -z+1/2 '
'x, -y+1/2, z '
'x, y+1/2, -z '
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
S1_1 S 32 0.939(3) 0.1587(14) 0.0453(10) 0.309(6) 15(3)
O1_1 O 32 0.983(8) 0.210(6) 0.050(2) 0.309(6) 15(3)
O2_1 O 32 0.884(6) 0.175(9) 0.033(3) 0.309(6) 15(3)
S1_2 S 32 0.768(2) 0.766(4) 0.9326(7) 0.312(7) 5(2)
O1_2 O 32 0.810(12) 0.820(11) 0.928(3) 0.312(7) 5(2)
O2_2 O 32 0.713(7) 0.756(11) 0.920(2) 0.312(7) 5(2)
S1_3 S 32 0.8585(11) 0.4118(8) 0.6168(3) 1.000(10) 15.0(11)
O1_3 O 32 0.842(5) 0.373(3) 0.5999(8) 1.000(10) 15.0(11)
O2_3 O 32 0.831(4) 0.476(2) 0.6179(11) 1.000(10) 15.0(11)
S1_4 S 32 0.0999(7) 0.5334(13) 0.7898(4) 0.865(10) 15.7(13)
O1_4 O 32 0.144(3) 0.491(4) 0.7799(8) 0.865(10) 15.7(13)
O2_4 O 32 0.126(4) 0.577(3) 0.8043(11) 0.865(10) 15.7(13)
S1_5 S 32 0.9149(17) 0.5776(12) 0.1446(4) 0.626(6) 11.7(14)
O1_5 O 32 0.942(9) 0.517(5) 0.1509(12) 0.626(6) 11.7(14)
O2_5 O 32 0.932(7) 0.601(3) 0.1253(6) 0.626(6) 11.7(14)
S1_6 S 32 0.727(2) 0.259(7) 0.1713(6) 0.456(9) 12.3(17)
O1_6 O 32 0.717(9) 0.215(8) 0.1552(11) 0.456(9) 12.3(17)
O2_6 O 32 0.772(5) 0.241(10) 0.1865(13) 0.456(9) 12.3(17)
C7AA C 16 0.0633(9) 0.5 0 1 0.1(4)
C8AA C 32 0.0316(5) 0.4520(10) 0.0081(4) 1 0.1(4)
C6AA C 16 0.1365(14) 0.5 0 1 0.1(4)
C5 C 32 0.1716(14) 0.472(2) 0.0165(3) 1 0.1(4)
C5AA C 32 0.2392(14) 0.474(2) 0.0153(3) 1 0.1(4)
C4 C 32 0.2746(15) 0.450(4) 0.0295(6) 1 0.1(4)
C3 C 32 0.3334(16) 0.404(3) 0.0244(12) 1 0.1(4)
C2 C 32 0.3760(17) 0.375(5) 0.0415(15) 1 0.1(4)
C3AA C 32 0.3596(16) 0.391(8) 0.0637(13) 1 0.1(4)
C14 C 32 0.3008(16) 0.436(9) 0.0688(8) 1 0.1(4)
C0AA C 32 0.2583(16) 0.465(7) 0.0517(5) 1 0.1(4)
C7 C 32 0.3950(16) 0.367(10) 0.0779(16) 1 0.1(4)
O2AA O 32 0.442(2) 0.326(10) 0.074(2) 1 0.1(4)
O6 O 32 0.384(2) 0.383(12) 0.0964(15) 1 0.1(4)
H8AA H 32 0.0544(5) 0.4174(14) 0.0139(7) 1 0.1(5)
H5 H 32 0.1489(14) 0.453(3) 0.0272(6) 1 0.1(5)
H3 H 32 0.3432(17) 0.3949(18) 0.0111(13) 1 0.1(5)
H2 H 32 0.4112(18) 0.348(5) 0.0384(18) 1 0.1(5)
H14 H 32 0.2910(17) 0.446(11) 0.0821(7) 1 0.1(5)
H0AA H 32 0.2231(17) 0.493(7) 0.0548(3) 1 0.1(5)
N1b N 16 0.272(2) 0.5 0 1 0.1(4)
ZR1 Zr 8 0.5 0.25 0.08628(16) 1 0.1(3)
ZR2 Zr 16 0.4182(2) 0.3318(2) 0.125 1 0.1(3)
O1 O 16 0.413(2) 0.25 0.1041(8) 1 0.1(4)
O2 O 16 0.5 0.335(2) 0.1052(8) 1 0.1(4)
O0AA O 32 0.2978(13) 0.3200(13) 0.1279(5) 1 0.1(4)
loop_
_pd_meas_2theta_scan
_pd_proc_intensity_total
_pd_calc_intensity_total
_pd_proc_ls_weight
2.00000 992.64500 1071.60880 0.00210
2.00100 1035.25100 1072.60886 0.00175
2.00200 1045.28500 1073.61363 0.00161
2.00300 1033.91600 1074.62314 0.00187
2.00400 1078.95700 1075.63740 0.00189
2.00500 1075.43000 1076.65642 0.00165
2.00600 1040.58200 1077.68022 0.00166
2.00700 1071.72300 1078.70882 0.00187
2.00800 1033.83500 1079.74224 0.00195
2.00900 1032.17400 1080.78048 0.00164
2.01000 1045.57900 1081.82357 0.00165
2.01100 1057.49500 1082.87152 0.00191
2.01200 1018.13400 1083.92435 0.00192
2.01300 1052.07000 1084.98207 0.00160
2.01400 1135.18200 1086.04470 0.00156
2.01500 1055.45700 1087.11226 0.00197
2.01600 1034.62000 1088.18477 0.00177
2.01700 1066.87900 1089.26224 0.00156
2.01800 1058.24500 1090.34468 0.00180
2.01900 1082.46400 1091.43212 0.00190
2.02000 1049.19300 1092.52457 0.00173
2.02100 1084.82800 1093.62205 0.00158
2.02200 1074.38200 1094.72458 0.00184
2.02300 1043.91000 1095.83218 0.00196
2.02400 1092.45600 1096.94485 0.00158
2.02500 1057.28400 1098.06263 0.00164
2.02600 1083.08800 1099.18552 0.00185
2.02700 1049.99300 1100.31355 0.00186
2.02800 1058.25800 1101.44674 0.00160
2.02900 1118.15700 1102.58510 0.00158
2.03000 1096.48400 1103.72864 0.00186
2.03100 1080.25500 1104.87740 0.00173
2.03200 1090.68500 1106.03138 0.00154
2.03300 1126.03400 1107.19061 0.00165
2.03400 1145.67100 1108.35511 0.00180
2.03500 1077.75000 1109.52489 0.00171
2.03600 1096.52700 1110.69997 0.00155
2.03700 1063.27400 1111.88037 0.00184
2.03800 1117.22600 1113.06612 0.00182
2.03900 1106.19900 1114.25723 0.00160
2.04000 1135.16400 1115.45372 0.00152
2.04100 1097.88700 1116.65560 0.00185
2.04200 1060.45400 1117.86291 0.00187
2.04300 1100.94900 1119.07566 0.00153
2.04400 1106.81500 1120.29388 0.00157
2.04500 1055.94800 1121.51757 0.00196
2.04600 1129.63700 1122.74676 0.00167
2.04700 1097.45400 1123.98148 0.00154
2.04800 1109.56900 1125.22174 0.00165
2.04900 1086.62000 1126.46756 0.00192
2.05000 1112.84100 1127.71897 0.00164
2.05100 1158.21800 1128.97599 0.00146
2.05200 1167.85300 1130.23864 0.00166
2.05300 1160.22500 1131.50693 0.00178
2.05400 1122.30400 1132.78090 0.00160
2.05500 1136.05300 1134.06055 0.00150
2.05600 1093.32200 1135.34593 0.00186
2.05700 1163.33100 1136.63704 0.00173
2.05800 1202.86100 1137.93392 0.00141
2.05900 1108.00600 1139.23657 0.00158
2.06000 1110.12400 1140.54504 0.00183
2.06100 1130.09600 1141.85933 0.00171
2.06200 1213.70300 1143.17948 0.00139
2.06300 1161.44700 1144.50550 0.00154
2.06400 1147.60600 1145.83742 0.00181
2.06500 1184.43700 1147.17526 0.00156
2.06600 1174.89700 1148.51905 0.00145
2.06700 1202.28400 1149.86882 0.00157
2.06800 1190.13000 1151.22458 0.00173
2.06900 1168.87300 1152.58636 0.00155
2.07000 1208.55900 1153.95419 0.00142
2.07100 1177.46100 1155.32809 0.00167
2.07200 1134.00200 1156.70808 0.00180
2.07300 1205.32700 1158.09420 0.00142
2.07400 1136.98000 1159.48647 0.00154
2.07500 1186.36900 1160.88491 0.00171
2.07600 1164.99600 1162.28955 0.00169
2.07700 1130.61000 1163.70042 0.00148
2.07800 1141.07600 1165.11754 0.00154
2.07900 1180.53600 1166.54095 0.00174
2.08000 1201.35600 1167.97066 0.00155
2.08100 1189.65600 1169.40671 0.00141
2.08200 1156.00300 1170.84913 0.00161
2.08300 1152.49200 1172.29794 0.00179
2.08400 1180.72400 1173.75317 0.00154
2.08500 1128.37400 1175.21485 0.00154
2.08600 1209.25300 1176.68301 0.00161
2.08700 1202.18900 1178.15767 0.00169
2.08800 1190.16300 1179.63888 0.00147
2.08900 1193.66500 1181.12666 0.00144
2.09000 1190.18800 1182.62103 0.00168
2.09100 1161.50800 1184.12203 0.00171
2.09200 1159.17600 1185.62970 0.00146
2.09300 1174.75300 1187.14405 0.00150
2.09400 1188.67000 1188.66513 0.00173
2.09500 1160.74200 1190.19297 0.00163
2.09600 1167.14700 1191.72760 0.00143
2.09700 1213.49000 1193.26904 0.00148
2.09800 1198.76400 1194.81734 0.00172
2.09900 1189.15700 1196.37253 0.00154
2.10000 1149.82900 1197.93464 0.00147
2.10100 1190.68200 1199.50371 0.00163
2.10200 1220.20100 1201.07977 0.00168
2.10300 1225.37700 1202.66286 0.00144
2.10400 1204.27600 1204.25301 0.00143
2.10500 1216.27500 1205.85026 0.00163
2.10600 1211.87200 1207.45464 0.00166
2.10700 1175.31900 1209.06620 0.00146
2.10800 1239.44400 1210.68496 0.00139
2.10900 1255.91000 1212.31097 0.00163
2.11000 1247.43800 1213.94427 0.00155
2.11100 1230.26700 1215.58490 0.00135
2.11200 1168.77900 1217.23289 0.00154
2.11300 1244.43800 1218.88828 0.00165
2.11400 1214.70500 1220.55112 0.00153
2.11500 1184.41600 1222.22145 0.00143
2.11600 1209.41500 1223.89931 0.00155
2.11700 1213.57000 1225.58473 0.00168
2.11800 1212.93700 1227.27777 0.00147
2.11900 1252.31800 1228.97847 0.00136
2.12000 1255.02200 1230.68686 0.00158
2.12100 1255.35500 1232.40301 0.00162
2.12200 1222.19900 1234.12694 0.00143
2.12300 1274.47400 1235.85871 0.00136
2.12400 1228.53000 1237.59837 0.00167
2.12500 1220.86200 1239.34595 0.00161
2.12600 1253.28600 1241.10152 0.00134
2.12700 1204.81100 1242.86511 0.00148
2.12800 1241.32700 1244.63679 0.00165
2.12900 1262.51000 1246.41659 0.00147
2.13000 1263.21000 1248.20457 0.00132
2.13100 1244.17100 1250.00078 0.00149
2.13200 1253.99900 1251.80527 0.00165
2.13300 1243.83100 1253.61811 0.00146
2.13400 1211.39300 1255.43933 0.00141
2.13500 1260.87900 1257.26900 0.00154
2.13600 1249.51000 1259.10718 0.00163
2.13700 1243.84300 1260.95392 0.00140
2.13800 1262.95000 1262.80927 0.00135
2.13900 1239.30500 1264.67331 0.00163
2.14000 1265.92200 1266.54608 0.00158
2.14100 1292.31400 1268.42765 0.00131
2.14200 1302.20600 1270.31808 0.00133
2.14300 1264.65100 1272.21744 0.00162
2.14400 1275.69700 1274.12579 0.00149
2.14500 1285.56500 1276.04319 0.00130
2.14600 1196.40100 1277.96972 0.00153
2.14700 1270.18500 1279.90543 0.00164
2.14800 1269.38600 1281.85040 0.00147
2.14900 1269.24000 1283.80470 0.00133
2.15000 1259.13100 1285.76841 0.00152
2.15100 1241.35500 1287.74158 0.00167
2.15200 1250.76900 1289.72430 0.00143
2.15300 1232.41000 1291.71665 0.00140
2.15400 1270.79500 1293.71870 0.00158
2.15500 1294.19700 1295.73053 0.00157
2.15600 1279.67500 1297.75222 0.00135
2.15700 1285.29900 1299.78385 0.00134
2.15800 1282.81800 1301.82550 0.00159
2.15900 1309.35200 1303.87727 0.00148
2.16000 1340.27600 1305.93923 0.00125
2.16100 1303.49800 1308.01148 0.00136
2.16200 1250.92000 1310.09410 0.00165
2.16300 1319.85800 1312.18719 0.00139
2.16400 1295.77900 1314.29085 0.00131
2.16500 1298.68900 1316.40516 0.00146
2.16600 1323.18600 1318.53023 0.00154
2.16700 1308.22000 1320.66615 0.00138
2.16800 1291.07000 1322.81303 0.00134
2.16900 1325.17800 1324.97106 0.00149
2.17000 1310.57600 1327.14047 0.00154
2.17100 1338.07000 1329.32147 0.00128
2.17200 1318.54300 1331.51417 0.00131
2.17300 1314.05900 1333.71870 0.00155
2.17400 1335.97300 1335.93519 0.00146
2.17500 1314.10900 1338.16377 0.00128
2.17600 1339.54800 1340.40458 0.00134
2.17700 1380.35700 1342.65775 0.00148
2.17800 1381.70800 1344.92343 0.00134
2.17900 1322.87500 1347.20176 0.00128
2.18000 1319.38200 1349.49289 0.00141
2.18100 1338.37200 1351.79698 0.00154
2.18200 1317.52100 1354.11418 0.00139
2.18300 1343.82100 1356.44466 0.00127
2.18400 1291.45800 1358.78857 0.00151
2.18500 1368.68000 1361.14610 0.00147
2.18600 1446.93400 1363.51742 0.00121
2.18700 1389.78000 1365.90270 0.00124
2.18800 1375.31100 1368.30214 0.00146
2.18900 1384.49700 1370.71592 0.00143
2.19000 1375.30900 1373.14423 0.00124
2.19100 1356.65200 1375.58729 0.00128
2.19200 1329.99900 1378.04530 0.00154
2.19300 1395.43900 1380.51848 0.00137
2.19400 1358.93500 1383.00704 0.00124
2.19500 1358.50400 1385.51121 0.00136
2.19600 1369.81500 1388.03124 0.00150
2.19700 1334.85100 1390.56735 0.00136
2.19800 1371.77900 1393.11982 0.00123
2.19900 1378.46800 1395.68889 0.00139
2.20000 1390.58900 1398.27483 0.00147
2.20100 1358.15900 1400.87793 0.00132
2.20200 1307.76900 1403.49847 0.00133
2.20300 1343.97000 1406.13664 0.00148
2.20400 1353.88400 1408.79238 0.00147
2.20500 1331.65700 1411.46573 0.00128
2.20600 1359.27200 1414.15695 0.00128
2.20700 1335.85600 1416.86633 0.00152
2.20800 1321.74400 1419.59418 0.00144
2.20900 1356.61600 1422.34080 0.00125
2.21000 1445.68200 1425.10653 0.00124
2.21100 1378.95500 1427.89170 0.00150
2.21200 1438.19700 1430.69666 0.00127
2.21300 1377.06300 1433.52179 0.00122
2.21400 1367.30400 1436.36744 0.00139
2.21500 1389.56100 1439.23404 0.00148
2.21600 1405.94400 1442.12199 0.00126
2.21700 1386.08700 1445.03174 0.00125
2.21800 1439.93600 1447.96373 0.00136
2.21900 1462.38300 1450.91847 0.00137
2.22000 1442.02400 1453.89646 0.00120
2.22100 1382.20100 1456.89828 0.00125
2.22200 1384.37000 1459.92450 0.00148
2.22300 1402.44000 1462.97580 0.00139
2.22400 1378.82600 1466.05289 0.00123
2.22500 1443.62700 1469.15659 0.00122
2.22600 1435.25800 1472.28782 0.00143
2.22700 1429.61900 1475.44770 0.00130
2.22800 1421.25800 1478.63759 0.00117
2.22900 1471.14900 1481.85928 0.00127
2.23000 1466.30300 1485.11530 0.00142
2.23100 1461.97900 1488.40978 0.00125
2.23200 1440.95400 1491.75109 0.00119
2.23300 1451.65300 1495.16789 0.00133
2.23400 1490.83500 1498.65403 0.00135
2.23500 1519.61600 1502.06416 0.00115
2.23600 1449.53400 1505.42755 0.00120
2.23700 1458.39800 1508.81645 0.00139
2.23800 1437.47800 1512.23651 0.00138
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2.65300 1997.98800 1862.88767 0.00092
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2.65500 1895.43900 1859.46006 0.00101
2.65600 1925.93700 1857.74697 0.00106
2.65700 1892.21500 1856.03464 0.00094
2.65800 1968.59000 1854.32327 0.00087
2.65900 1902.49400 1852.61309 0.00105
2.66000 1992.18500 1850.90433 0.00099
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2.66200 1921.84500 1847.49202 0.00089
2.66300 1922.93000 1845.78896 0.00106
2.66400 1989.16000 1844.08832 0.00097
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2.67900 1946.92700 1819.07635 0.00100
2.68000 1875.11500 1817.45821 0.00090
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2.68600 1878.42600 1807.94583 0.00110
2.68700 1949.98600 1806.39815 0.00092
2.68800 2017.81200 1804.86279 0.00084
2.68900 1992.78900 1803.34038 0.00097
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2.69400 2027.03000 1795.94659 0.00097
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31.93000 380.66700 386.48011 0.00529
31.93100 392.94000 386.43650 0.00449
31.93200 383.38000 386.40010 0.00458
31.93300 377.70400 386.37090 0.00530
31.93400 373.38800 386.34888 0.00536
31.93500 390.37200 386.33403 0.00446
31.93600 420.68700 386.32631 0.00417
31.93700 402.71800 386.32570 0.00489
31.93800 376.41900 386.33215 0.00514
31.93900 406.02100 386.34560 0.00419
31.94000 394.88300 386.36599 0.00463
31.94100 374.66500 386.39325 0.00542
31.94200 397.11000 386.42730 0.00464
31.94300 408.19900 386.46804 0.00427
31.94400 397.99900 386.51537 0.00479
31.94500 397.49300 386.56915 0.00503
31.94600 395.67900 386.62927 0.00454
31.94700 387.75500 386.69556 0.00453
31.94800 394.32200 386.76787 0.00497
31.94900 377.06500 386.84602 0.00532
31.95000 358.92300 386.92981 0.00490
31.95100 388.29200 387.01904 0.00444
31.95200 382.13000 387.11348 0.00525
31.95300 396.46500 387.21288 0.00490
31.95400 377.27400 387.31698 0.00455
31.95500 365.00900 387.42551 0.00492
31.95600 361.01500 387.53816 0.00562
31.95700 357.75600 387.65463 0.00533
31.95800 389.09100 387.77459 0.00439
31.95900 369.15600 387.89768 0.00508
31.96000 375.30900 388.02354 0.00533
31.96100 367.48400 388.15179 0.00499
31.96200 366.34300 388.28204 0.00477
31.96300 342.68100 388.41387 0.00567
31.96400 363.13700 388.54686 0.00549
31.96500 352.98500 388.68058 0.00507
31.96600 344.47900 388.81458 0.00520
31.96700 359.72600 388.94840 0.00554
31.96800 372.18700 389.08159 0.00510
31.96900 376.19100 389.21367 0.00458
31.97000 407.16800 389.34419 0.00426
31.97100 375.20400 389.47266 0.00534
31.97200 385.35600 389.59862 0.00494
31.97300 385.27400 389.72162 0.00445
31.97400 393.32600 389.84119 0.00464
31.97500 364.80400 389.95689 0.00562
31.97600 388.72100 390.06829 0.00469
31.97700 374.75800 390.17497 0.00460
31.97800 368.35200 390.27653 0.00524
31.97900 380.44900 390.37260 0.00529
31.98000 365.76000 390.46282 0.00497
31.98100 356.79500 390.54688 0.00500
31.98200 365.90400 390.62450 0.00544
31.98300 370.32000 390.69537 0.00530
31.98400 404.92700 390.75925 0.00424
31.98500 395.56400 390.81592 0.00450
31.98600 376.09000 390.86519 0.00536
31.98700 364.67400 390.90690 0.00533
31.98800 341.43000 390.94092 0.00510
31.98900 360.05000 390.96713 0.00514
31.99000 387.83700 390.98546 0.00523
31.99100 383.79900 390.99585 0.00487
31.99200 343.84300 390.99826 0.00518
31.99300 388.85300 390.99267 0.00490
31.99400 385.05700 390.97908 0.00531
31.99500 364.13600 390.95750 0.00504
31.99600 410.37000 390.92795 0.00420
31.99700 365.60100 390.89047 0.00546
31.99800 388.07500 390.84510 0.00504
31.99900 386.03300 390.79187 0.00455
32.00000 389.95600 390.73084 0.00453
