############################################################################### ##此CIF包含接受的数据文章的数据##在IUCrData上发布。符合##IUCrData作者注释##由IUCrData主持的同行评审## ##结晶信息文件格式的完整详细信息##论文“结晶信息文件（CIF）：##S.R.Hall，F.H##艾伦和I.D.布朗【《水晶学报》（1991），A47655-685】## ##核心CIF字典的当前版本可从## ftp://ftp.iucr.org/pub/cif_core.dic。 ## ##软件可免费用于结构的图形显示##CIF价格。有关信息，请参阅CIF软件页面## http://www.iucr.org/resources/cif/software。 ## ##此文件可用于##科学界，只要对数据给予适当的归属#从中获得它的物品## ###############################################################################数据_I_审计_创建_方法SHELXL-2014/7_电子日志日期2018-09-06_日记_日期_接受2018-12-14_journal_name_full“IUCrData”_2018年日志_日志卷3_期刊_第12期_日志_页面_第一个0_日志_页面_最后0_日记_纸张_类别HM_日志_paper_doi 10.1107/S241431461801704_日志_编辑_代码BH4041_publ_contact_author_name“M.Abila Jeba Queen”_公共联系人作者地址;物理系圣十字学院（自治）纳戈尔629004泰米尔纳德邦印度;_发布_联系人_作者_邮件jeba.abi@gmail.com网站_publ_contact_author_fax？_公共_联系人_作者_电话9003486880_公共_部分_标题;\链-聚[[[（乙缩醛-\k^2^O（运行）,O（运行）'）水镉（II）]-\m-\L（左）-苏氨酸-\k^3^N个,O（运行）:O（运行）']一水合物];回路__publ_author_name（发布_作者名称）_publ_author_footnote发布_公共_作者_地址“阿比拉·杰巴·奎因，M。”;马诺马尼亚姆·桑达拉纳大学研究学者，印度泰米尔纳德邦Tirunelveli的Abishekapatti。;;物理系圣十字学院（自治）纳格尔科尔629004泰米尔纳德邦印度;“Bright，K.C.”。;物理系圣约翰学院安查尔-691306喀拉拉邦印度;“玛丽·德尔芬，S.”。;物理系圣十字学院（自治）纳戈尔629004泰米尔纳德邦印度;_公共_部分_摘要;由L（左）-含镉苏氨酸醋酸盐二水合物是一种羧酸基为L（左）-苏氨酸桥接晶体中与对称性相关的Cd^II中心。;_化学名称系统;\链-聚[[[（乙缩醛-\k^2^O（运行）,O（运行）'）水镉（II）]-\\米-L（左）-苏氨酸-\k^3^N个,O（运行）:O（运行）']一水合物];_化学名称通用？_化学式组分“C6 H13 Cd N O6，H2 O”_化学物质_甲醛_sum‘C6 H15 Cd N O7’_化学式_iupac’[Cd（C2 H3 O2）（C4 H8 N O3）（H2 O）]，H2 O’_化学式_重量325.59_化学熔点？_化学绝对构型ad_空间群晶体系统单斜_space_group_name_H-M_alt“P 21”_space_group_name_调用“P 2yb”回路__空间组符号操作'x，y，z'“-x，y+1/2，-z”_单元格长度a 5.8199（12）_单元格_长度_b 8.8017（16）_单元格长度c 10.710（2）_单元格角度α90_cell_angle_beta 91.916（6）细胞_单元格角度伽马90_单元格_卷548.30（18）_单元格_公式_单位_Z 2_单元格_测量_刷新_使用2960_单元格_测量值_最小值2.99_单元格_测量_高度_最大值30.44_单元格_测量_温度293（2）_exptl_crystal_description块_exptl晶体无色_exptl晶体尺寸最大0.200_exptl_晶体_尺寸_最小0.150_exptl晶体尺寸最小0.100_exptl晶体密度衍射1.972_exptl晶体密度测量？_exptl晶体密度方法？_exptl_晶体_F_000 324_出口_吸收_效率_ mu 2.008_exptl_absorpt_correction_type多扫描_exptl_absorpt_process_details（导出吸收过程详细信息）;（SADABS；布鲁克，2004）;_exptl_吸收_修正_最小值0.5930_exptl_吸收_修正_最大0.7462_衍射环境温度293（2）_差异辐射类型MoK\a_衍射辐射波长0.71073_衍射辐射源‘精细聚焦密封管’_衍射辐射单色石墨_diffrin_measurement_device_type‘Bruker Kappa APEXII CCD’_diffrin_measurement_method“w和f扫描”_衍射检测器面积平均值？_衍射_反射_编号4756_diffren_refns_av_R等效物0.0274_diffrin_refns_av_unetI/netI 0.0401_差值最小2.996_衍射_反射_热_最大26.999_diffrin_refns_theta完整25.242_衍射_测量_分数_最大值0.998_衍射_测量_分数_高度_满0.997_衍射反射极限h最小值-4_差异_限制_最大值7_衍射_反射_极限_k最小值-10_衍射反射极限k最大值11_衍射_反射_极限_最小值-13_衍射反射极限最大值13_细化特殊细节;H原子与C原子和羟基原子结合的原子位置O5被计算出来，这些氢原子被细化为骑向它们的母体原子，各向同性位移参数计算为U型~国际标准化组织~=1.2--1.5U型~eq~（载流子原子）。水和胺H原子位于差异映射和自由细化。对于这些H原子，N-H和O-H键长度限制在0.90（2）\%A。;_refns_number_total参考号_总计2373_refns_number_gt 2215参考号_reflns_threshold_expression“I>2\s（I）”_细分_ls_structure_factor_cef Fsqd_refine_ls_matrix_type已满_细化_ ls_R系数_全部0.0252_细化_ls_R_系数_gt 0.0214_精制_ls_wR_factor_gt 0.0464_细化_ls_wR_factor_ref 0.0483_细化_质量_修复_ ref 1.055_细化_限制_全部1.054_细化_ ls_number_reflns 2373_refine_ls_number_parameters优化_数量_参数162_细化_ls_number_restraints 7_refine_ls_hydrogen_treaction混合_细化_权重_方案计算_细化_权重_细节'w=1/[\s^2^（Fo^2^）+（0.0151P）^2^]其中P=（Fo^2 ^+2Fc^2 ^）/3'_atom_sites_solution_混合氢_atom_sites_solution_primary双重_atom_sites_solution_secondary差异映射_细化_ls_shift/su_max 0.000_精细_偏移/最小0.000_精制密度最大值0.287_细化_密度_最小-0.435_refine_ls_extinction_method无_refine_ls_extinction_cef。_细化_ls_abs_structure_details;Flack公司x使用960个商确定[(我^+^)-(我^-^)]/[(我^+^)+(我^-^)]（帕森斯等。, 2013);_细化_ls_abs_structure_Flack-0.02（2）回路__原子类型符号_原子类型描述_atom_type_scat_dispersion_real格式_atom_type_scat_dispersion_imag_原子类型类别源“C”“C”0.0033 0.0016“国际表格C卷表4.2.6.8和6.1.1.4”“高”“高”0.0000 0.0000‘国际表格C卷表4.2.6.8和6.1.1.4’“N”“N”0.0061 0.0033“国际表格C卷表4.2.6.8和6.1.1.4”“O”“O”0.0106 0.0060“国际表格C卷表4.2.6.8和6.1.1.4”“镉”“镉”-0.8075 1.2024“国际表格C卷表4.2.6.8和6.1.1.4”_计算数据收集;APEX2（布鲁克，2004）;_计算_单元格_定义;APEX2和SAINT（Bruker，2004）;_计算数据还原;SAINT和XPREP（布鲁克，2004）;_计算结构解决方案;SHELXT2014（谢尔德里克，2015a）;_计算结构定义;SHELXL2014（Sheldrick，2015b）;_计算分子图形;ORTEP-3 for Windows（Farrugia，2012）和Mercury（Macrae）等。,2008);_计算_发布_材料;SHELXL2014（谢尔德里克，2015b）;回路__原子站点类型符号_原子站点标签_原子站点分形x_原子站点分形_原子站点分数z_原子_站点_U_iso_or_equiv_原子站点地址类型_原子网站地址标签_原子站点占用_atom_site监控程序集_原子站点监控程序组C C1 0.1873（8）0.6187（5）-0.0589（4）0.0198（10）单位。C C2 0.3744（8）0.4946（5）-0.0609（4）0.0195（10）单位。H H2 0.5147 0.5378-0.0222 0.023 Uiso计算值1。C C3 0.4290（8）0.4515（5）-0.1958（5）0.0259（13）单位。H H3 0.4545 0.5438-0.2446 0.031 Uiso计算值。C C4 0.6394（9）0.3493（7）-0.2005（5）0.0341（13）单位。H H4A 0.6058 0.2529-0.1633 0.051 Uiso计算值。H H4B 0.7657 0.3962-0.1552 0.051 Uiso计算值1。H H4C 0.6794 0.3344-0.2859 0.051 Uiso计算值。C C5 0.3471（10）0.3480（7）0.3548（5）0.0285（12）单位。C C6 0.5144（12）0.2946（8）0.4545（6）0.0476（16）单位。H H6A 0.4398 0.2238 0.5080 0.071 Uiso计算值1。H H6B 0.5688 0.3799 0.5028 0.071 Uiso计算值1。H H6C 0.6420 0.2457 0.4166 0.071 Uiso计算值1。N N1 0.3104（7）0.3621（4）0.0142（4）00198（9）Uani和1。O O1 0.1723（8）0.2697（5）0.3282（4）0.0481（12）单位。O O2 0.3858（7）0.4672（5）0.2946（4）0.0353（10）单位。O O3 0.0128（6）0.5995（4）0.0047（4）0.0272（8）单位。O O4 0.2300（6）0.7358（4）-0.1214（3）0.0265（8）单位。O O5 0.2331（6）0.3716（3）-0.2470（3）0.0285（9）单位。H H5 0.1896 0.4121-0.3125 0.043 Uiso计算值1。O O6-0.1803（7）0.5625（5）0.2746（4）0.0394（10）Uani d 1。O O7-0.0219（9）0.0255（6）0.4365（4）0.0514（12）单位。镉Cd1 0.04345（4）0.41168（6）0.15898（3）0.02231（10）单位。H H1A 0.432（6）0.316（6）0.048（4）0.022（14）Uiso d 1。H H1B 0.253（8）0.286（4）-0.031（4）0.007（12）Uiso d 1。H H6D-0.189（11）0.663（3）0.264（6）0.05（2）Uiso d 1。H H6E-0.326（6）0.537（8）0.278（6）0.06（2）Uiso d 1。H H7A 0.052（16）0.110（7）0.416（8）0.10（3）Uiso d 1。H H7B-0.009（18）0.045（10）0.517（3）0.09（3）Uiso d 1。回路__原子网站标签_原子_现场_日产_U_11_原子_现场_日产_U_22_原子_地点_尼索_U_33_原子_现场_日产_U_12_原子_现场_日产_U_13_原子_现场_日产_U_23C1 0.023（2）0.015（2）0.021（2）0.0010（19）-0.0055（19）-00012（19）C2 0.018（2）0.017（2）0.023（2）-0.0004（19）-0.0003（19）0.002（2）C3 0.025（2）0.029（4）0.024（2）-0.0021（18）-0.0003（18）0.0040（19）C4 0.028（3）0.048（3）0.027（3）0.009（2）0.003（2）-0.006（2）C5 0.034（3）0.034（三）0.018（三）0.006（二）0.001（二）-0.001（三）C6 0.049（4）0.053（4）.039（3）0.001（3）-0.015（3）.004（3）N1 0.023（2）0.012（2）0.024（2）0.0013（15）-0.0024（17）0.0017（16）O1 0.044（2）0.053（3）0.046（2）-0.020（2）-017（2）0.025（2）氧气0.036（2）0.033（2）.036（2”）-0.0059（17）-0.006（2）0.0043（19）臭氧0.0255（17）0.0204（17）0.0359（19）0.0047（16）0.0052（15）0.0076（16）O4 0.0274（18）0.0158（17）0.036（2）0.0014（14）-0.0011（16）0.0077（15）O5 0.0328（17）0.025（3）0.0270（17）0.0011（14）-0.0069（14）-00011（13）O6 0.034（2）0.027（2）0.058（3）-0.0007（18）0.017（2）-0.006（2）O7 0.069（3）0.043（3）0.041（3）-0.021（2）-0.014（2）0.006（2）Cd1 0.02215（14）0.02029（16）0.02456（16）-0.0006（2）0.00159（10）0.0020（2）_geom_special_details？回路__地理绑定原子站点标签1_地理绑定原子站点标签2_地理绑定站点对称2_地理绑定距离_geom_bond_publ标志C1 O3。1.252(6) ?C1O4。1.259(6) ?C1 C2。1.543(6) ?C2 N1。1.472(6) ?C2 C3。1.537(7) ?C2氢气。0.9800 ?C3 O5。1.432(6) ?C3 C4。1.521(7) ?C3 H3。0.9800 ?C4 H4A。0.9600 ?C4 H4B。0.9600 ?C4 H4C。0.9600 ?C5 O1。1.254(7) ?C5氧气。1.255(6) ?C5 C6。1.497(8) ?C5 Cd1。2.755(6) ?C6 H6A。0.9600 ?C6 H6B。0.9600 ?C6 H6C。0.9600 ?N1 Cd1。2.274(4) ?甲型H1A流感。0.89(3) ?甲型H1B流感。0.89(3) ?O1代码1。2.306(4) ?氧气Cd1。2.475(4) ?臭氧Cd1。2.340(3) ?O4 Cd1 2 2.247（3）？O5时5分。0.8200 ?O6 Cd1。2.258(4) ?O6 H6D。0.89(3) ?O6 H6E型。0.88(3) ?O7 H7A。0.89(3) ?O7 H7B。0.88(3) ?Cd1 O4 2_545 2.247（3）？回路__地理角度原子站点标签1_地理角度原子站点标签2_地理角度原子站点标签3_地理角度场地对称1_地理_角度_位置_对称_3_地理角度_地理角度ubl标志O3 C1 O4。125.3(4) ?O3 C1 C2。119.9(4) ?O4 C1 C2。114.8(4) ?N1 C2 C3。112.4(4) ?N1 C2 C1。111.2(4) ?C3 C2 C1。110.9(4) ?N1 C2 H2。107.4 ?C3 C2 H2。107.4 ?C1 C2 H2。107.4 ?O5 C3 C4。109.2(4) ?O5 C3 C2。107.1(4) ?C4 C3 C2。111.6(4) ?O5 C3 H3。109.6 ?C4 C3 H3。109.6 ?C2 C3 H3。109.6 ?C3 C4 H4A。109.5 ?C3 C4 H4B。109.5 ?H4A C4 H4B。109.5 ?C3 C4 H4C。109.5 ?H4A C4 H4C。109.5 ?H4B C4 H4C。109.5 ?O1 C5氧气。120.1(5) ?O1 C5 C6。119.5(5) ?氧气C5 C6。120.4(6) ?O1 C5 Cd1。56.2(3) ?O2 C5镉。64.0(3) ?C6 C5 Cd1。173.0(4) ?C5 C6 H6A。109.5 ?C5 C6 H6B。109.5 ?H6A C6 H6B。109.5 ?C5 C6 H6C。109.5 ?H6A C6 H6C。109.5 ?H6B C6 H6C。109.5 ?C2 N1 Cd1。114.3(3) ?C2 N1 H1A。112(3) ?Cd1 N1 H1A。111(3) ?C2 N1 H1B。113(3) ?Cd1 N1 H1B。105(3) ?H1A N1 H1B。99(4) ?C5 O1 Cd1。96.9(3) ?C5氧气Cd1。88.9(4) ?C1 O3 Cd1。115.8(3) ?C1 O4 Cd1。2 120.6(3) ?C3 O5 H5。109.5 ?Cd1 O6 H6D。123(4) ?Cd1 O6 H6E。117(5) ?H6D O6 H6E。102(6) ?H7A O7 H7B。93(8) ?O4 Cd1 O6 2_545。94.90(13) ?O4 Cd1 N1 2_545。103.98(13) ?O6 Cd1 N1。155.03(14) ?O4 Cd1 O1 2_545。88.69(14) ?O6 Cd1 O1。93.77(18) ?N1 Cd1 O1。102.74(15) ?O4 Cd1 O3 2_545。108.86(13) ?O6 Cd1 O3。86.58(15) ?N1 Cd1 O3。72.03(13) ?O1 Cd1 O3。162.36(14) ?O4 Cd1 O2 2_545。142.44(13) ?O6 Cd1氧气。91.69(16) ?N1 Cd1 O2。83.30(14) ?O1 Cd1氧气。53.95(14) ?O3 Cd1 O2。108.42(13) ?O4镉1 C5 2_545。115.40(16) ?O6 Cd1 C5。93.96(18) ?N1 Cd1 C5。92.56(15) ?O1 Cd1 C5。26.87(15) ?臭氧Cd1 C5。135.49(16) ?氧气Cd1 C5。27.10(14) ?回路__地理_扭转_原子_场地_标签1_地理_扭转_原子_场地_标签2_地理_扭转_原子_场地_标签3_地理_扭转_原子_场地_标签_4_地理_扭转_场地_对称_1_地理_扭转_场地_对称_2_地理扭转场地对称3_地理_扭转_场地_对称_4_地理扭转_地理_扭转_取消标记O3 C1 C2 N1。1.9(6) ?O4 C1 C2 N1-179.9(4) ?O3 C1 C2 C3。127.8(5) ?O4 C1 C2 C3-54.1(5) ?N1 C2 C3 O5。55.2(5) ?C1 C2 C3 O5-70.0(5) ?N1 C2 C3 C4-64.3(5) ?C1 C2 C3 C4。170.5(4) ?C3 C2 N1 Cd1-146.0(3) ?C1 C2 N1 Cd1-21.0(5) ?氧气C5 O1 Cd1。3.6(5) ?C6 C5 O1 Cd1-173.5(5) ?O1 C5 O2 Cd1-3.3(5) ?C6 C5 O2 Cd1。173.8(5) ?O4 C1 O3 Cd1-160.1(4) ?C2 C1 O3 Cd1。17.8(5) ?O3 C1 O4 Cd1。2 -12.8(7) ?C2 C1 O4 Cd1。2 169.2(3) ?回路__地理_hbond_atom_site_label_D_地理_hbond_atom_site_label_H_地理_绑定_原子_站点_标签_A_geom_hbond_site_symmetriy_A地理位置_地理_绑定_距离_DH_地理_绑定_距离_HA_地理_绑定_距离_DA_geom_hbond_angle_DHAO5 H5 O7 2 0.82 1.90 2.701（6）164.0型N1 H1A O4 2_645 0.89（3）2.21（3）3.083（5）170（5）N1 H1B O3 2_545 0.89（3）2.28（4）2.983（5）136（4）O6 H6D O5 2 0.89（3）1.86（3）2.753（5）175（6）O6 H6E O2 1_455 0.88（3）1.80（3）2.676（6）174（7）O7 H7A O1。0.89(3) 1.84(4) 2.707(6) 163(9)O7 H7B O6 2_546 0.88（3）2.46（5）3.290（7）157（9）_搁置空间组注释？_货架_估计_吸收T_最小值0.690_货架_估计_吸收_最大值0.824_shelx _ hkl文件;2 0 0 2120.69 77.193 0 0 2060.79 77.894 0 0 696.63 33.905 0 0 668.33 35.705 0 0 681.53 31.206 0 0 37.10 10.306 0 0 20.40 5.607 0 0 96.39 16.607 0 0 117.69 18.408 0 0 62.79 14.808 0 0 69.59 16.400 1 0 -14.70 0.500 1 0 -12.00 0.801 -1 0 3387.46 117.59-1 1 0 3331.07 117.392 -1 0 534.45 23.60-2 1 0 498.15 22.803 -1 0 2672.33 99.294 -1 0 1764.72 70.894 -1 0 1740.23 66.195 -1 0 1357.66 59.595 -1 0 1351.06 53.095 1 0 1282.27 58.295 1 0 1343.67 56.196 -1 0 869.81 39.706 -1 0 910.71 47.906 -1 0 900.41 47.206 1 0 972.10 43.406 1 0 1008.70 48.307 -1 0 434.16 32.707 -1 0 449.86 32.807 1 0 450.85 31.307 1 0 461.15 32.408 -1 0 201.98 27.008 1 0 213.48 26.808 1 0 213.38 26.600 -2 0 8899.91 318.770 -2 0 8722.83 325.770 -2 0 9013.20 317.070 2 0 9794.22 319.870 2 0 9999.00 323.970 2 0 9234.98 318.671 -2 0 1661.73 67.391 -2 0 1708.53 66.691 2 0 1904.81 63.49-1 2 0 1973.80 65.89-1 2 0 1904.91 67.792 -2 0 3490.55 130.192 -2 0 3554.14 130.89-2 2 0 3847.91 130.293 -2 0 2872.61 110.793 -2 0 3077.19 106.694 -2 0 135.09 7.604 -2 0 123.69 14.004 -2 0 127.59 15.105 -2 0 105.99 14.305 -2 0 104.99 7.505 -2 0 115.59 15.905 2 0 91.99 11.906 -2 0 33.80 10.906 -2 0 12.60 8.506 2 0 16.70 7.106 2 0 21.60 7.407 -2 0 75.29 16.407 -2 0 88.29 17.907 2 0 64.69 11.307 2 0 78.29 15.507 2 0 56.69 12.108 -2 0 33.20 13.908 2 0 66.19 14.108 2 0 57.19 15.800 -3 0 -0.10 2.900 -3 0 -1.90 5.500 -3 0 -0.20 2.500 3 0 1.80 3.800 3 0 -2.40 1.800 3 0 2.60 2.701 -3 0 1981.50 75.39-1 -3 0 2012.80 69.091 -3 0 2026.70 73.29-1 3 0 2047.90 72.69-1 3 0 2003.70 74.991 3 0 1951.80 72.091 3 0 1942.01 69.492 -3 0 912.41 36.402 -3 0 885.41 37.80-2 3 0 769.62 36.402 3 0 826.82 32.303 -3 0 1254.57 53.893 -3 0 1261.97 54.793 3 0 1381.26 49.804 -3 0 1042.80 49.204 -3 0 1105.99 49.205 -3 0 1319.07 60.995 -3 0 1349.16 60.395 3 0 1289.07 58.196 -3 0 672.53 39.306 -3 0 659.83 40.106 3 0 651.73 36.007 -3 0 322.67 29.007 -3 0 275.07 25.807 3 0 271.97 21.707 3 0 233.28 26.608 -3 0 105.49 21.508 3 0 104.19 17.508 3 0 108.69 18.808 3 0 131.19 17.400 -4 0 2147.49 73.390 -4 0 2086.79 79.690 -4 0 2083.49 75.290 4 0 2017.90 77.590 4 0 1988.80 78.490 4 0 2020.20 74.191 -4 0 2870.21 107.891 -4 0 2929.81 102.39-1 -4 0 2918.21 99.391 -4 0 2991.20 104.791 4 0 2743.83 106.891 4 0 2872.71 102.891 4 0 2836.12 99.69-1 4 0 2923.31 105.09-1 4 0 2799.22 106.692 -4 0 1668.83 70.092 -4 0 1705.23 67.29-2 4 0 1803.72 63.492 4 0 1755.52 62.593 -4 0 1382.96 58.593 -4 0 1481.05 61.793 4 0 1394.66 53.194 -4 0 291.57 22.404 -4 0 368.36 23.504 4 0 299.47 17.304 4 0 303.37 20.705 -4 0 51.49 12.305 -4 0 34.40 9.905 4 0 36.40 7.405 4 0 25.90 7.606 -4 0 102.49 17.706 -4 0 87.79 16.506 4 0 118.99 16.306 4 0 92.09 12.407 -4 0 27.30 14.007 -4 0 51.89 16.307 4 0 34.20 11.407 4 0 55.99 10.207 4 0 38.80 10.408 4 0 87.09 15.600 -5 0 2.40 4.300 -5 0 6.80 6.500 -5 0 6.30 3.500 5 0 -0.10 2.000 5 0 -2.50 3.901 -5 0 117.39 15.70-1 -5 0 122.59 8.101 -5 0 121.89 10.201 -5 0 115.89 10.701 5 0 130.49 8.701 5 0 114.39 12.10-1 5 0 133.09 9.601 5 0 118.99 8.002 -5 0 842.52 38.402 -5 0 913.31 43.10-2 5 0 872.31 34.302 5 0 856.81 34.102 5 0 901.31 36.303 -5 0 997.50 47.203 -5 0 1053.49 50.893 5 0 1109.19 49.303 5 0 1132.49 42.504 -5 0 988.00 46.904 -5 0 1016.30 50.494 5 0 963.40 46.704 5 0 922.81 39.905 -5 0 877.71 46.705 -5 0 939.91 50.895 5 0 936.61 47.505 5 0 941.81 40.806 -5 0 495.75 35.306 -5 0 496.45 36.106 5 0 537.45 33.806 5 0 527.05 28.507 -5 0 396.66 35.907 -5 0 464.95 35.907 5 0 423.56 31.000 -6 0 2480.95 97.590 -6 0 2672.43 95.190 6 0 2720.13 95.990 6 0 2709.73 101.49-1 -6 0 3395.86 118.891 -6 0 3390.06 125.291 -6 0 3384.46 131.391 6 0 3327.97 118.991 6 0 3463.95 121.791 6 0 3353.96 129.59-1 6 0 3556.44 126.892 -6 0 1078.39 48.002 -6 0 1108.29 53.69-2 6 0 1187.68 44.802 6 0 1172.58 45.002 6 0 1095.69 43.002 6 0 1109.69 50.393 -6 0 277.57 20.003 -6 0 331.17 26.903 6 0 239.98 16.803 6 0 254.67 19.603 6 0 265.57 14.804 -6 0 589.94 36.704 -6 0 580.14 32.604 6 0 545.15 26.404 6 0 563.44 33.005 -6 0 94.49 19.105 -6 0 88.19 16.205 6 0 101.69 11.505 6 0 87.29 15.706 -6 0 13.10 11.306 -6 0 -1.90 8.706 6 0 4.20 6.507 -6 0 38.50 17.607 -6 0 33.50 12.907 6 0 23.40 9.800 -7 0 6.60 6.000 -7 0 -5.90 3.700 7 0 -0.60 5.500 7 0 1.60 2.601 -7 0 -2.40 4.901 -7 0 3.70 8.80-1 -7 0 2.50 3.101 7 0 -5.20 5.801 7 0 3.90 2.70-1 7 0 0.10 5.102 -7 0 597.24 31.002 -7 0 617.44 39.402 7 0 629.24 33.70-2 7 0 567.24 27.102 7 0 606.04 26.202 7 0 604.14 25.903 -7 0 516.35 36.003 -7 0 573.64 31.803 7 0 555.94 33.503 7 0 600.84 25.704 -7 0 725.23 44.504 -7 0 749.92 40.304 7 0 710.03 40.305 -7 0 656.73 45.005 -7 0 617.54 38.905 7 0 632.94 38.706 -7 0 260.07 29.106 -7 0 290.27 35.706 7 0 295.87 26.800 -8 0 462.05 24.700 8 0 467.75 26.901 -8 0 1359.26 57.791 -8 0 1375.96 67.09-1 8 0 1442.86 58.291 8 0 1306.57 60.192 -8 0 1106.59 50.192 -8 0 971.90 56.29-2 8 0 1186.78 47.002 8 0 1094.89 52.593 -8 0 158.58 17.603 -8 0 141.99 22.103 8 0 119.09 16.504 -8 0 161.48 20.304 -8 0 143.89 25.804 8 0 146.29 20.205 -8 0 -5.10 9.305 -8 0 0.80 11.005 8 0 -1.60 9.006 -8 0 -22.30 8.706 -8 0 -4.60 12.100 -9 0 -12.40 6.300 9 0 7.30 7.301 -9 0 145.09 16.401 9 0 131.49 17.30-1 9 0 132.39 14.602 -9 0 397.06 34.202 -9 0 442.16 27.502 9 0 444.46 30.103 -9 0 222.38 21.103 -9 0 251.27 31.303 9 0 275.77 24.404 -9 0 281.47 24.804 -9 0 275.27 34.404 9 0 260.87 28.205 -9 0 345.57 29.505 -9 0 283.67 38.205 9 0 370.26 31.501 10 0 817.52 44.30-1 10 0 824.22 41.202 -10 0 629.74 45.902 10 0 651.23 39.303 -10 0 175.08 31.003 10 0 190.28 22.404 -10 0 84.39 25.904 -10 0 111.99 18.504 10 0 133.59 19.905 -10 0 31.70 13.000 11 0 -8.30 7.401 11 0 -2.10 6.302 11 0 165.68 22.203 -11 0 156.98 32.903 11 0 218.48 26.401 12 0 295.87 26.502 12 0 253.17 28.208 0 -1 30.80 12.808 0 -1 34.10 11.007 0 -1 191.38 22.907 0 -1 167.78 21.706 0 -1 517.75 32.006 0 -1 521.75 27.306 0 -1 570.24 33.205 0 -1 788.42 40.105 0 -1 892.61 42.404 0 -1 3651.63 133.993 0 -1 6738.53 235.582 0 -1 545.85 23.101 0 -1 2311.17 82.59-1 0 1 2233.58 82.491 0 -1 2418.26 80.69-1 0 -1 1503.55 54.091 0 1 1460.55 54.092 0 1 16.20 3.303 0 1 482.25 25.003 0 1 505.55 22.004 0 1 957.10 40.204 0 1 991.30 44.405 0 1 76.69 9.205 0 1 93.49 13.706 0 1 632.54 30.606 0 1 592.24 35.807 0 1 453.25 32.408 0 1 208.08 27.808 0 1 299.47 32.908 -1 -1 227.58 27.508 1 -1 258.47 28.708 1 -1 242.58 27.907 -1 -1 382.96 29.207 -1 -1 351.26 29.007 1 -1 364.56 27.707 1 -1 357.06 27.106 -1 -1 128.59 17.806 -1 -1 146.89 11.506 -1 -1 161.58 19.806 1 -1 163.28 18.706 1 -1 141.49 17.506 1 -1 151.78 13.505 -1 -1 179.78 15.805 -1 -1 184.58 16.505 1 -1 188.18 16.204 -1 -1 181.68 14.804 -1 -1 171.28 15.304 1 -1 177.58 14.203 -1 -1 62.59 9.203 -1 -1 74.39 9.202 -1 -1 1522.15 55.592 -1 -1 1430.86 56.29-2 1 1 1478.45 55.191 -1 -1 3290.27 109.091 -1 -1 3147.59 109.991 -1 -1 3130.59 107.09-1 1 1 3035.60 106.891 1 -1 2919.51 104.79-1 1 1 3100.09 108.79-1 1 1 2826.12 109.890 -1 1 4341.37 153.380 -1 1 4497.25 155.980 -1 -1 5121.09 165.380 -1 -1 4228.68 158.480 1 1 5106.79 161.980 1 -1 4482.55 155.880 1 1 4321.47 158.380 1 -1 4215.98 153.38-1 -1 -1 7186.88 232.681 -1 1 5929.51 234.781 -1 1 6542.55 225.08-1 1 -1 6205.58 234.38-1 1 -1 6708.93 224.982 -1 1 3169.78 117.892 -1 1 3329.27 117.59-2 1 -1 3378.66 117.992 1 1 3269.37 120.193 -1 1 2639.04 101.593 -1 1 2794.62 99.493 1 1 2752.32 102.194 -1 1 1395.76 52.194 -1 1 1392.16 58.094 1 1 1256.27 54.495 -1 1 620.44 27.705 -1 1 644.24 35.205 1 1 612.64 30.605 1 1 597.04 33.306 -1 1 270.37 23.706 1 1 282.57 23.406 1 1 277.77 18.907 -1 1 -3.20 9.807 -1 1 17.30 8.807 1 1 41.80 13.008 -1 1 -0.60 9.208 1 1 1.50 7.008 1 1 -0.80 6.508 -2 -1 22.00 12.508 2 -1 9.60 7.908 2 -1 45.60 12.807 -2 -1 219.68 25.907 -2 -1 228.18 25.707 2 -1 183.18 22.207 2 -1 204.08 22.707 2 -1 203.68 17.906 -2 -1 546.55 35.406 -2 -1 596.14 35.206 2 -1 552.64 30.906 2 -1 580.44 33.506 2 -1 524.65 32.505 -2 -1 463.45 28.305 -2 -1 497.75 30.204 -2 -1 1625.94 68.094 -2 -1 1655.43 67.393 -2 -1 3580.04 133.393 -2 -1 3746.13 134.593 -2 -1 3766.02 136.192 -2 -1 2185.68 80.892 -2 -1 2222.68 82.592 -2 -1 2261.47 83.29-2 2 1 2257.77 82.292 2 -1 2241.88 79.391 -2 -1 3616.94 119.791 -2 -1 3350.96 118.79-1 -2 1 3499.45 114.891 -2 -1 3654.73 120.091 2 -1 3053.99 114.69-1 2 1 3032.60 118.09-1 2 1 3215.08 120.19-1 2 1 3339.07 119.190 -2 1 1125.09 42.100 -2 1 1148.79 40.800 -2 -1 1125.59 43.500 -2 -1 1146.29 43.800 -2 1 1121.19 44.000 2 -1 1274.47 42.500 2 -1 1143.19 43.500 2 1 1117.09 44.000 2 1 1205.18 43.400 2 1 1156.58 43.901 -2 1 33.20 6.501 -2 1 26.70 5.401 2 1 38.20 5.702 -2 1 274.07 16.40-2 2 -1 279.77 16.202 2 1 286.97 15.703 -2 1 228.68 9.603 -2 1 224.78 16.103 2 1 234.58 14.904 -2 1 1008.60 46.604 -2 1 976.30 37.604 2 1 994.10 43.705 -2 1 593.64 35.105 -2 1 624.04 25.605 2 1 615.64 31.606 -2 1 865.21 46.606 -2 1 821.22 45.006 2 1 814.42 40.706 2 1 801.42 44.107 -2 1 401.36 32.807 -2 1 421.36 32.207 2 1 466.05 33.007 2 1 455.45 28.008 -2 1 237.28 31.608 2 1 248.78 29.308 -3 -1 173.98 25.808 3 -1 180.78 24.808 3 -1 171.78 22.408 3 -1 175.08 21.107 -3 -1 196.38 24.807 -3 -1 199.88 25.007 3 -1 243.28 20.207 3 -1 212.98 24.107 3 -1 202.08 18.507 3 -1 210.68 19.506 -3 -1 179.38 21.806 -3 -1 183.88 21.606 3 -1 215.38 18.206 3 -1 225.68 17.805 -3 -1 388.26 26.205 -3 -1 437.46 28.605 3 -1 387.96 23.004 -3 -1 97.19 13.804 -3 -1 97.99 13.304 -3 -1 104.99 6.104 3 -1 107.99 9.603 -3 -1 790.22 37.103 -3 -1 812.12 30.303 -3 -1 791.42 37.203 3 -1 822.62 33.802 -3 -1 2371.26 87.992 -3 -1 2303.37 87.292 -3 -1 2402.36 84.09-2 3 1 2201.38 84.69-2 3 1 2425.06 87.692 3 -1 2274.67 82.79-1 -3 1 1025.00 38.501 -3 -1 969.80 40.501 -3 -1 1042.60 39.401 -3 -1 1040.50 42.60-1 3 1 1045.80 42.30-1 3 1 1025.60 39.70-1 3 1 1070.79 40.601 3 -1 1055.39 39.001 3 -1 1018.90 37.301 3 -1 1024.00 41.700 -3 1 872.41 32.500 -3 -1 867.21 35.400 -3 1 858.31 37.100 -3 -1 836.52 32.000 -3 1 889.21 34.200 -3 -1 900.41 35.500 3 -1 916.81 36.900 3 1 923.41 36.000 3 -1 887.61 34.500 3 1 927.41 34.900 3 1 919.71 37.301 -3 1 4504.25 157.381 -3 1 4577.44 152.881 -3 1 4531.85 155.581 3 1 4475.65 160.68-1 3 -1 4418.36 156.481 3 1 4081.69 149.491 3 1 4257.07 156.282 -3 1 6305.27 233.382 3 1 6963.10 223.282 3 1 6541.65 239.683 -3 1 3696.63 139.293 3 1 3819.02 141.394 -3 1 990.60 47.704 3 1 981.00 45.005 -3 1 425.76 29.705 -3 1 474.95 29.905 3 1 429.86 26.306 -3 1 140.39 20.506 -3 1 129.49 19.106 3 1 149.29 17.307 -3 1 39.60 13.407 -3 1 37.20 14.307 3 1 36.00 12.307 3 1 64.79 11.808 3 1 1.10 4.808 3 1 4.80 8.908 4 -1 39.60 11.307 -4 -1 149.29 23.607 -4 -1 179.98 24.907 4 -1 182.08 21.107 4 -1 155.08 19.507 4 -1 152.88 18.107 4 -1 131.29 19.306 -4 -1 647.44 39.406 -4 -1 642.14 39.706 4 -1 571.64 34.406 4 -1 589.34 32.305 -4 -1 787.92 43.305 -4 -1 832.52 43.305 4 -1 774.02 37.004 -4 -1 2050.19 83.194 -4 -1 2026.90 82.494 4 -1 1949.10 75.893 -4 -1 2218.98 84.893 -4 -1 2215.08 86.293 4 -1 2047.90 78.792 -4 -1 2746.53 104.992 -4 -1 2753.72 103.592 4 -1 2740.73 98.29-2 4 1 2831.42 101.291 -4 -1 2734.63 104.69-1 -4 1 2815.82 97.991 -4 -1 2846.62 102.59-1 4 1 2782.12 103.991 4 -1 2805.02 103.591 4 -1 2794.02 97.591 4 -1 2738.23 98.19-1 4 1 2809.02 101.79-1 4 1 2765.82 102.590 -4 1 2702.83 94.190 -4 -1 2663.33 91.890 -4 1 2681.53 100.090 -4 -1 2620.84 97.290 -4 1 2707.03 94.190 4 -1 2634.54 94.290 4 -1 2583.24 98.390 4 1 2616.24 98.990 4 1 2637.94 99.190 4 1 2662.43 96.09-1 -4 -1 1023.30 36.401 -4 1 1081.89 40.901 -4 1 1007.80 45.601 -4 1 1084.19 42.10-1 4 -1 1017.90 45.501 4 1 1046.00 41.501 4 1 1063.79 44.001 4 1 1018.40 36.702 -4 1 326.27 22.202 -4 1 332.37 18.402 4 1 342.37 18.402 4 1 380.36 14.70-2 4 -1 324.27 13.302 4 1 312.37 19.103 -4 1 206.48 19.203 -4 1 220.78 15.603 4 1 209.88 15.703 4 1 219.08 11.804 -4 1 356.16 25.104 -4 1 340.37 22.404 4 1 347.77 22.904 4 1 325.17 17.705 -4 1 458.55 30.305 -4 1 433.66 30.705 4 1 489.15 24.505 4 1 467.05 28.306 -4 1 405.66 30.706 -4 1 381.66 30.306 4 1 419.66 24.006 4 1 383.86 27.207 -4 1 293.37 33.307 -4 1 338.67 29.207 4 1 379.36 27.407 -5 -1 330.57 35.907 -5 -1 286.57 31.707 5 -1 370.66 27.806 -5 -1 236.38 27.506 -5 -1 243.88 26.906 5 -1 244.18 18.506 5 -1 247.88 21.805 -5 -1 77.19 15.105 -5 -1 80.69 15.305 5 -1 65.69 9.804 -5 -1 29.50 8.704 -5 -1 35.00 11.604 5 -1 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98.99 18.501 -5 10 249.38 22.501 5 10 238.58 29.00-1 5 -10 244.18 29.602 -5 10 545.45 36.202 5 10 547.45 40.60-2 5 -10 617.34 41.203 -5 10 324.87 29.003 5 10 302.27 29.004 -5 10 133.99 23.104 5 10 138.19 24.405 -5 10 187.88 28.305 -6 -10 130.39 19.304 -6 -10 237.68 21.404 -6 -10 290.37 35.004 6 -10 197.48 26.203 -6 -10 351.66 38.503 -6 -10 321.57 23.603 6 -10 334.47 34.402 -6 -10 319.47 36.202 6 -10 384.96 32.60-2 6 10 302.97 33.301 -6 -10 461.95 37.001 6 -10 475.55 34.70-1 6 10 414.16 35.600 -6 -10 253.77 30.500 6 10 225.88 27.500 6 -10 255.47 30.401 -6 10 162.68 21.50-1 6 -10 131.29 24.201 6 10 187.28 26.602 -6 10 68.49 17.402 6 10 106.39 21.90-2 6 -10 75.49 19.003 -6 10 23.60 14.703 6 10 13.20 12.104 -6 10 22.40 14.804 6 10 8.30 15.604 7 -10 65.79 19.003 -7 -10 5.20 13.303 7 -10 15.60 15.00-3 7 10 10.00 13.602 -7 -10 -7.80 10.60-2 7 10 4.30 13.802 7 -10 0.80 13.901 -7 -10 48.20 20.10-1 7 10 57.89 17.701 7 -10 42.90 17.500 -7 -10 160.38 28.600 7 -10 195.98 28.600 7 10 213.28 27.701 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286.77 26.004 2 -11 273.57 28.904 2 -11 256.87 28.103 -2 -11 333.47 25.703 -2 -11 294.47 32.203 2 -11 365.46 28.703 2 -11 345.97 27.402 -2 -11 285.87 31.902 -2 -11 348.57 26.202 2 -11 338.07 28.802 2 -11 360.86 27.201 -2 -11 118.29 21.401 -2 -11 89.99 14.90-1 2 11 94.09 19.201 2 -11 94.09 16.600 -2 -11 2.50 8.900 2 11 0.60 9.100 2 -11 -2.50 8.301 -2 11 2.60 6.70-1 -2 -11 20.40 11.70-1 2 -11 19.70 10.801 2 11 18.70 11.20-2 -2 -11 152.18 19.302 -2 11 146.29 18.202 2 11 159.98 17.702 2 11 142.49 21.60-2 2 -11 129.79 20.603 -2 11 315.47 25.803 2 11 287.07 24.003 2 11 273.77 31.604 -2 11 163.98 22.804 2 11 198.28 23.304 2 11 191.08 26.305 -2 11 210.98 26.805 2 11 195.88 27.705 2 11 254.87 29.205 -3 -11 18.20 11.405 -3 -11 18.70 16.305 3 -11 5.30 11.804 -3 -11 58.59 14.304 -3 -11 30.60 17.204 3 -11 48.20 16.103 -3 -11 225.28 23.403 -3 -11 172.58 24.703 3 -11 198.78 24.802 -3 -11 473.55 30.202 -3 -11 404.16 35.902 3 -11 509.35 34.401 -3 -11 758.52 49.101 -3 -11 818.52 41.10-1 3 11 823.72 49.301 3 -11 771.32 46.300 -3 -11 775.42 39.500 3 -11 759.92 44.600 3 11 749.42 46.90-1 -3 -11 453.85 29.401 -3 11 480.05 28.20-1 3 -11 499.65 36.901 3 11 446.16 34.902 -3 11 453.35 30.00-2 3 -11 503.15 38.302 3 11 447.96 36.903 -3 11 185.88 22.503 3 11 165.48 24.304 -3 11 132.09 21.504 3 11 157.78 21.704 3 11 125.59 21.905 -3 11 35.80 15.005 3 11 64.09 16.505 3 11 63.19 19.705 -4 -11 242.28 26.504 -4 -11 314.27 37.404 -4 -11 320.77 26.504 4 -11 366.56 32.903 -4 -11 229.98 31.203 -4 -11 289.17 23.803 4 -11 270.47 30.002 -4 -11 116.39 16.002 -4 -11 79.89 21.102 4 -11 51.59 16.70-2 4 11 94.79 19.401 -4 -11 28.00 9.601 -4 -11 33.70 13.90-1 4 11 36.50 16.201 4 -11 37.40 13.200 -4 -11 1.50 8.600 -4 -11 29.70 14.300 4 -11 24.20 11.800 4 11 7.90 11.301 -4 11 28.50 9.90-1 4 -11 19.90 14.601 4 11 11.30 14.202 -4 11 61.69 15.002 4 11 57.39 18.20-2 4 -11 87.69 18.703 -4 11 419.66 31.303 4 11 332.17 36.004 -4 11 192.98 26.004 4 11 184.58 27.705 -5 -11 23.20 10.704 -5 -11 26.60 15.904 -5 -11 24.50 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1 -12 10.10 10.60-2 -1 -12 -11.70 9.702 -1 12 3.20 7.302 1 12 5.00 6.502 1 12 -4.80 8.80-2 1 -12 7.60 13.003 -1 12 14.10 9.503 1 12 -8.40 7.103 1 12 1.70 12.004 -1 12 49.99 13.104 -1 12 27.10 14.204 1 12 37.20 15.104 1 12 58.19 14.405 -1 12 119.79 21.805 -2 -12 57.99 20.604 -2 -12 15.00 10.904 -2 -12 -7.10 13.204 2 -12 -12.80 10.203 -2 -12 -8.20 8.203 -2 -12 -16.60 12.103 2 -12 -20.50 10.403 2 -12 6.40 9.402 -2 -12 24.20 15.702 -2 -12 13.80 10.102 2 -12 12.30 10.101 -2 -12 290.47 32.901 -2 -12 411.16 28.301 2 -12 340.27 30.900 -2 -12 405.76 28.500 2 -12 370.46 31.900 2 12 283.07 33.00-1 -2 -12 383.36 29.901 2 12 396.36 33.40-1 2 -12 375.86 33.502 -2 12 336.77 25.00-2 -2 -12 355.16 27.802 2 12 362.06 32.002 2 12 367.56 24.90-2 2 -12 348.87 35.803 -2 12 258.67 24.003 2 12 252.17 32.003 2 12 277.17 23.504 -2 12 194.88 24.604 2 12 210.98 25.104 2 12 163.48 25.505 2 12 88.39 22.104 -3 -12 340.77 27.204 -3 -12 230.78 32.804 3 -12 342.97 30.503 -3 -12 274.47 24.503 -3 -12 180.78 26.803 3 -12 205.28 27.202 -3 -12 298.07 35.002 -3 -12 330.17 25.902 3 -12 322.57 28.301 -3 -12 237.98 23.201 -3 -12 191.48 27.30-1 3 12 204.68 27.801 3 -12 209.48 26.900 -3 -12 183.98 20.900 3 -12 189.28 26.600 3 12 176.88 27.501 3 12 51.69 16.50-1 3 -12 71.49 17.202 3 12 5.60 11.40-2 3 -12 -10.10 13.703 -3 12 21.10 11.603 3 12 28.40 14.103 3 12 11.20 9.304 -3 12 65.29 16.104 3 12 103.09 21.504 3 12 103.59 17.304 -4 -12 -31.10 14.104 -4 -12 -1.80 7.803 -4 -12 -2.50 12.803 -4 -12 16.80 10.303 4 -12 -10.50 8.102 -4 -12 102.79 21.902 -4 -12 116.89 17.202 4 -12 127.39 22.601 -4 -12 204.58 21.601 -4 -12 219.58 31.001 4 -12 226.48 27.40-1 4 12 245.68 32.100 4 12 352.56 32.100 4 -12 313.97 32.901 4 12 282.07 33.90-1 4 -12 284.27 32.302 4 12 265.87 33.50-2 4 -12 261.77 32.903 -4 12 331.27 28.803 4 12 255.07 34.104 -4 12 203.18 27.004 -5 -12 192.88 23.403 -5 -12 232.88 34.803 -5 -12 280.17 24.903 5 -12 265.37 32.702 -5 -12 257.57 32.70-2 5 12 206.48 31.002 5 -12 256.17 32.501 -5 -12 139.79 27.30-1 5 12 140.99 26.701 5 -12 161.68 26.500 5 -12 92.39 19.900 5 12 58.09 20.80-1 5 -12 -14.60 9.701 5 12 -4.00 13.80-2 5 -12 14.90 14.302 5 12 32.60 18.704 -5 12 73.89 19.402 -6 -12 127.39 28.002 6 -12 157.68 25.70-2 6 12 114.69 24.901 -6 -12 19.90 19.601 6 -12 41.90 15.90-1 6 12 31.20 18.700 6 -12 184.18 29.200 6 12 138.79 26.901 6 12 329.37 39.40-1 6 -12 358.36 37.40-2 6 -12 221.58 31.402 6 12 198.18 31.70-2 7 12 128.89 24.10-1 7 12 162.28 29.400 7 12 128.29 24.805 0 -13 2.50 15.704 0 -13 112.79 23.704 0 -13 182.28 26.003 0 -13 329.77 28.303 0 -13 248.58 29.602 0 -13 578.04 37.202 0 -13 482.35 39.401 0 -13 526.95 35.700 0 -13 257.97 29.20-1 0 -13 181.78 25.80-2 0 -13 96.99 20.302 0 13 93.29 20.103 0 13 14.40 14.004 0 13 10.70 14.004 0 13 16.30 10.504 -1 -13 147.59 23.104 -1 -13 77.69 23.304 1 -13 119.49 22.204 1 -13 69.39 21.403 -1 -13 -18.00 8.803 -1 -13 8.40 9.303 1 -13 -13.60 12.303 1 -13 -0.20 9.302 -1 -13 0.00 11.102 -1 -13 8.60 15.002 1 -13 -23.70 10.302 1 -13 -10.40 7.801 -1 -13 7.80 11.601 1 -13 -20.70 10.100 -1 -13 67.69 17.200 1 -13 106.69 19.20-1 -1 -13 184.28 24.601 1 13 162.18 27.60-1 1 -13 147.29 24.80-2 -1 -13 306.07 30.502 1 13 311.77 35.60-2 1 -13 223.28 29.503 1 13 217.38 30.304 -1 13 188.08 24.704 1 13 196.98 24.604 1 13 167.68 27.704 -2 -13 167.28 28.004 -2 -13 208.88 25.703 -2 -13 238.48 32.703 -2 -13 220.28 26.703 2 -13 277.37 32.602 -2 -13 199.18 24.202 -2 -13 257.67 33.102 2 -13 203.18 27.701 -2 -13 239.88 30.101 -2 -13 252.47 26.101 2 -13 268.07 31.000 -2 -13 241.08 25.900 2 13 217.08 31.200 2 -13 305.97 32.50-1 -2 -13 298.27 29.40-1 2 -13 282.07 31.301 2 13 305.17 36.302 2 13 67.69 20.80-2 2 -13 101.89 22.903 2 13 -11.50 13.904 2 13 8.90 8.404 -3 -13 138.19 22.303 -3 -13 27.60 16.003 -3 -13 32.20 12.203 3 -13 45.60 18.002 -3 -13 3.70 10.102 -3 -13 0.90 11.602 3 -13 -14.80 12.001 -3 -13 19.30 11.601 -3 -13 -12.80 15.501 3 -13 18.60 12.500 3 -13 20.10 16.000 3 13 38.10 15.601 3 13 46.90 19.80-1 3 -13 88.39 21.802 3 13 202.98 30.10-2 3 -13 158.08 25.603 3 13 219.68 31.804 3 13 200.38 25.504 -4 -13 170.38 23.203 -4 -13 174.78 22.102 -4 -13 164.28 30.102 -4 -13 240.48 26.402 4 -13 171.58 25.901 -4 -13 304.77 35.60-1 4 13 260.37 33.801 4 -13 273.07 32.200 4 13 256.47 34.800 4 -13 226.38 31.30-1 4 -13 256.57 33.301 4 13 237.18 32.70-2 4 -13 42.00 20.102 4 13 52.89 21.701 -5 -13 -4.90 13.001 5 -13 -12.20 15.90-1 5 13 -1.70 12.200 5 13 42.20 17.100 5 -13 11.90 14.701 5 13 152.18 27.00-1 5 -13 88.29 24.504 0 -14 38.80 21.703 0 -14 214.88 28.903 0 -14 252.97 29.702 0 -14 101.49 19.201 0 -14 115.09 22.400 0 -14 -7.10 12.90-1 0 -14 30.90 16.70-2 0 -14 -10.40 13.503 -1 -14 65.49 16.103 -1 -14 52.59 18.902 -1 -14 167.68 26.802 -1 -14 247.78 28.802 1 -14 228.38 29.501 -1 -14 137.69 20.901 1 -14 136.69 22.700 -1 -14 401.76 33.200 1 -14 412.26 33.30-1 -1 -14 145.49 22.90-1 1 -14 108.89 23.002 1 14 122.69 26.40-2 1 -14 138.79 25.803 -2 -14 218.98 27.603 -2 -14 214.68 32.802 -2 -14 70.49 17.102 -2 -14 16.30 18.102 2 -14 37.60 18.201 -2 -14 6.00 12.001 2 -14 16.00 12.900 -2 -14 -14.60 11.100 2 -14 -4.20 13.901 2 14 -5.20 12.20-1 2 -14 -26.20 8.602 2 14 21.10 17.60-2 2 -14 -15.20 14.403 -3 -14 39.30 13.902 -3 -14 84.99 25.302 -3 -14 122.79 20.901 3 -14 162.48 25.800 3 -14 252.47 32.700 3 14 286.57 37.60-1 3 -14 182.68 30.20-2 3 -14 76.99 24.001 0 -15 5.40 11.200 0 -15 20.50 13.90-1 0 -15 360.06 37.302 -1 -15 112.39 20.701 -1 -15 66.89 18.501 1 -15 73.49 21.800 -1 -15 182.98 26.600 1 -15 162.68 27.80-1 1 -15 2.10 16.30-2 1 -15 -25.30 8.502 -2 -15 29.20 15.40_computing_structure_solution“SHELXT 2014/4（Sheldrick，2014）”;_shelx _hkl校验和13791_shelx文件;TCA.res由SHELXL-2014/7创建第21页中的TITL TCA_a.res手机0.71073 5.8199 8.8017 10.7098 90.000 91.916 90.000零2.00 0.0012 0.0016 0.0020 0.000 0.006 0.000LATT-1型对称-X，1/2+Y，-ZSFAC C H N O光盘单元12 30 2 14 2MERG 2号机组OMIT公司-3.00 54.00DFIX 0.9 0.02 N1 H1A N1 H1B O6 H6D O6 H6 E O7 H7A O7 H7 BEQIV$1-x，y+1/2，-zHTAB O5 O7_ 1美元EQIV$2-x+1，y-1/2，-zHTAB N1 O4_ 2美元EQIV$3-x，y-1/2，-zHTAB N1 O3_3美元HTAB O6 O5_ 1美元EQIV$4 x 1，y，zHTAB O6 O2_ 4美元HTAB O7 O1号机组EQIV$5-x，y-1/2，-z+1HTAB O7 O6_5美元飞行管理计划2平面图25尺寸0.10 0.15 0.20ACTA公司债券$H形态L.S.4号机组重量0.015100自由值0.96010C1 1 0.187262 0.618657-0.058869 11.000000.02256 0.01523=0.02112 -0.00122 -0.00550 0.00097C2 1 0.374389 0.494650-0.060924 11.000000.01844 0.01749=0.02258 0.00178 -0.00028 -0.00042AFIX第13页H2 2 0.514682 0.537806-0.022187 11.00000-1.20000AFIX 0公司C3 1 0.428954 0.451464-0.195820 11.00000 0.02457 0.02942=0.02375 0.00399 -0.00026 -0.00210AFIX第13页H3 2 0.454489 0.543776-0.244602 11.00000-1.20000AFIX 0公司C4 1 0.639373 0.349334-0.200489 11.00000 0.02757 0.04817=0.02657 -0.00620 0.00299 0.00892AFIX 137型H4A 2 0.605801 0.252946-0.163318 11.00000-1.50000H4B 2 0.765700 0.396186-0.155241 11.00000-1.50000H4C 2 0.679400 0.334422-0.285856 11.00000-1.50000AFIX 0公司C5 1 0.347145 0.348049 0.354790 11.00000 0.03395 0.03374=0.01791 -0.00141 0.00136 0.00612C6 1 0.514441 0.294572 0.454472 11.000000.04892 0.05346=0.03943 0.00353 -0.01461 0.00091AFIX 137型H6A 2 0.439819 0.223796 0.507971 11.00000-1.50000H6B 2 0.568773 0.379929 0.502821 11.00000-1.50000H6C 2 0.642043 0.245687 0.416567 11.00000-1.50000AFIX 0公司N1 3 0.310403 0.362124 0.014167 11.000000.02298 0.01199=0.02414 0.00172 -0.00240 0.00132O1 4 0.172262 0.269699 0.328177 11.000000.04424 0.05321=0.04554 0.02522 -0.01683 -0.01977氧气4 0.385810 0.467212 0.294650 11.00000 0.03640 0.03294=0.03616 0.00427 -0.00575 -0.00587臭氧4 0.012786 0.599504 0.004665 11.000000.02550 0.02042=0.03588 0.00762 0.00524 0.00472O4 4 0.229994 0.735794-0.121371 11.00000 0.02740 0.01575=0.03626 0.00773 -0.00112 0.00141O5 4 0.233054 0.371625-0.246970 11.000000.03285 0.02521=0.02702 -0.00111 -0.00691 0.00111AFIX 83型H5 2 0.189556 0.412108-0.312546 11.00000-150000AFIX 0公司O6 4-0.180266 0.562457 0.274626 11.00000 0.03416 0.02658=0.05849 -0.00558 0.01736 -0.00075O7 4-0.021876 0.025541 0.436450 11.00000 0.06881 0.04341=0.04092 0.00594 -0.01400 -0.02133CD1 5 0.043450 0.411679 0.158980 11.000000.02215 0.02029=0.02456 0.00200 0.00159 -0.00064H1A 2 0.431947 0.315792 0.048472 11.000000.02244H1B 2 0.252709 0.286018-0.031049 11.000000.00723H6D 2-0.188631 0.662918 0.264357 11.00000 0.04785H6E 2-0.325997 0.536814 0.278145 11.00000 0.06147H7A 2 0.052418 0.110270 0.416022 11.00000 0.10033H7B 2-0.009398 0.045256 0.517254 11.000000.09066HKLF 4号机组第21页中的REM TCA_a.res2215 Fo>4sig（Fo）时REM R1=0.0214，所有2373数据时为0.0252使用7个约束优化REM 162参数完WGHT 0.0151 0.0000REM最高差值峰值0.287，最深孔-0.435，1σ水平0.088第一季度0.3807 0.8573-0.1432 11.00000 0.05 0.29问题2 1 0.2111 0.6966-0.1905 11.00000 0.05 0.27问题3 1 0.2314 0.1251-0.0420 11.00000 0.05 0.27问题4 1 0.4953 0.1587 0.4741 11.00000 0.05 0.26问题5 1 0.4308 0.1874 0.6409 11.00000 0.05 0.25问题6 1 0.0051 0.7488 0.1958 11.00000 0.05 0.24问题7 1 0.7980 0.2226-0.3001 11.00000 0.05 0.24问题8 1-0.0044 0.5756-0.2127 11.00000 0.05 0.23问题9 1 0.8540 0.5342-0.1224 11.00000 0.05 0.23问题10 1 0.7685 0.3472-0.2439 11.00000 0.05 0.23问题11 0.8470 0.4592-0.1767 11.00000 0.05 0.23问题12 1 0.8471 0.3397-0.1554 11.00000 0.05 0.23问题13 1 0.1085 0.4148-0.0771 11.00000 0.05 0.22第14季度1 0.1879 0.3333-0.0227 11.00000 0.05 0.22问题15 1-0.3486 0.4004 0.2490 11.00000 0.05 0.22问题16 1 0.8102 0.2050-0.1547 11.00000 0.05 0.22问题17 1 0.8476 0.5997-0.1582 11.00000 0.05 0.21问题18 1 0.0437 0.3614-0.1544 11.00000 0.05 0.21问题19 1-0.2085 0.6430 0.1961 11.00000 0.05 0.21问题20 1-0.3548 0.4621 0.1443 11.00000 0.05 0.21问题21 1 0.2953 0.1458 0.4398 11.00000 0.05 0.21问题22 1-0.1376 0.1605 0.6378 11.00000 0.05 0.20Q23 1 0.5691 0.4109 0.5980 11.00000 0.05 0.20问题24 1-0.3030-0.0219 0.4480 11.00000 0.05 0.20问题25 1 0.1843 0.4960-0.0216 11.00000 0.05 0.20;_搁置_校验和40071