
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
#
#######################################################################
#
# If this CIF has been generated from an entry in the Cambridge 
# Structural Database, then it will include bibliographic, chemical, 
# crystal, experimental, refinement or atomic coordinate data resulting 
# from the CCDC's data processing and validation procedures.
#
#######################################################################

data_platon_sqd
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_Int_Tables_number      15
_space_group_name_Hall           '-C 2yn'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 1/2+x,1/2+y,z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a                   42.984(2)
_cell_length_b                   52.9718(14)
_cell_length_c                   33.962(2)
_cell_angle_alpha                90
_cell_angle_beta                 126.304(2)
_cell_angle_gamma                90
_cell_volume                     62318.8
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C5_1 C -0.4100(5) -0.1613(3) -0.2149(6)
H5A_1 H -0.3948 -0.1590 -0.1802
H5B_1 H -0.4367 -0.1581 -0.2291
H5C_1 H -0.4014 -0.1497 -0.2284
C6_1 C -0.4144(4) -0.2084(2) -0.2066(5)
H6A_1 H -0.4415 -0.2086 -0.2207
H6B_1 H -0.3997 -0.2073 -0.1717
H6C_1 H -0.4078 -0.2237 -0.2154
C4_1 C -0.4057(5) -0.1862(4) -0.2255(7)
C7_1 C -0.4233(4) -0.1932(3) -0.2807(5)
H7A_1 H -0.4104 -0.1836 -0.2910
H7B_1 H -0.4504 -0.1893 -0.3013
H7C_1 H -0.4198 -0.2109 -0.2830
O3_1 O -0.3660(4) -0.19406(18) -0.2040(3)
O2_1 O -0.3525(3) -0.1657(2) -0.2355(4)
C1_1 C -0.3422(5) -0.1834(3) -0.2108(6)
N72_2 N -0.3033(4) -0.1919(2) -0.1815(4)
H72_2 H -0.2962 -0.2011 -0.1566
N1_2 N -0.21883(16) -0.19574(8) -0.19948(15)
C2_2 C -0.1901(2) -0.19790(8) -0.20626(19)
C3_2 C -0.15153(19) -0.19893(9) -0.1661(3)
H3_2 H -0.1323 -0.2004 -0.1706
C4_2 C -0.14178(14) -0.19779(10) -0.1191(2)
C5_2 C -0.17055(13) -0.19564(6) -0.11231(15)
C6_2 C -0.20907(13) -0.19461(6) -0.15251(15)
C7_2 C -0.23784(14) -0.19245(10) -0.1457(2)
C8_2 C -0.2281(2) -0.19132(11) -0.0988(3)
H8_2 H -0.2473 -0.1899 -0.0942
C9_2 C -0.1896(2) -0.19234(10) -0.0586(2)
H9_2 H -0.1830 -0.1916 -0.0271
C10_2 C -0.16079(17) -0.19450(10) -0.06534(15)
H10_2 H -0.1350 -0.1952 -0.0384
O41_2 O -0.1009(3) -0.19632(14) -0.0789(3)
C42_2 C -0.0735(3) -0.1925(3) -0.0882(4)
H42A_2 H -0.0813 -0.1787 -0.1110
H42B_2 H -0.0709 -0.2076 -0.1022
P43_2 P -0.02923(18) -0.18534(13) -0.0316(2)
O44_2 O -0.0353(3) -0.16385(19) -0.0088(3)
O46_2 O 0.0040(3) -0.1809(2) -0.0462(4)
O45_2 O -0.0160(3) -0.2105(2) 0.0009(4)
C21_2 C -0.2002(5) -0.2022(2) -0.2533(5)
O22_2 O -0.1822(2) -0.19924(16) -0.2689(3)
C71_2 C -0.2763(3) -0.1869(2) -0.1892(3)
H71A_2 H -0.2778 -0.1692 -0.1977
H71B_2 H -0.2814 -0.1969 -0.2163
N71_3 N -0.2389(3) -0.20583(13) -0.2879(3)
H71_3 H -0.2512 -0.2057 -0.2751
N1_3 N -0.31355(16) -0.22430(9) -0.33138(15)
C2_3 C -0.35070(17) -0.23353(9) -0.3535(2)
C3_3 C -0.37492(14) -0.23731(9) -0.4037(2)
H3_3 H -0.3998 -0.2435 -0.4185
C4_3 C -0.36199(14) -0.23188(9) -0.43186(15)
C5_3 C -0.32485(14) -0.22266(7) -0.40975(13)
C6_3 C -0.30062(13) -0.21887(6) -0.35950(13)
C7_3 C -0.26348(13) -0.20965(10) -0.33738(18)
C8_3 C -0.25055(16) -0.20421(11) -0.3655(2)
H8_3 H -0.2257 -0.1980 -0.3507
C9_3 C -0.27478(19) -0.20800(11) -0.4157(2)
H9_3 H -0.2661 -0.2044 -0.4346
C10_3 C -0.31192(18) -0.21722(10) -0.43787(17)
H10_3 H -0.3281 -0.2198 -0.4715
O41_3 O -0.3840(2) -0.23726(12) -0.4806(2)
C42_3 C -0.4249(3) -0.2455(2) -0.5066(3)
H42A_3 H -0.4388 -0.2335 -0.5009
H42B_3 H -0.4258 -0.2618 -0.4943
P43_3 P -0.4472(2) -0.24766(12) -0.57132(17)
O44_3 O -0.4873(3) -0.2558(2) -0.5979(3)
O45_3 O -0.4205(3) -0.2628(2) -0.5777(3)
O46_3 O -0.4424(3) -0.2161(2) -0.5858(3)
C21_3 C -0.3626(4) -0.24223(19) -0.3221(5)
O22_3 O -0.3973(3) -0.24583(16) -0.3401(3)
N72_4 N -0.3297(3) -0.24313(13) -0.2730(3)
H72_4 H -0.3075 -0.2377 -0.2637
C71_4 C -0.3363(3) -0.25381(15) -0.2401(3)
H71A_4 H -0.3449 -0.2710 -0.2507
H71B_4 H -0.3579 -0.2448 -0.2448
N1_4 N -0.25502(17) -0.25784(8) -0.19728(15)
C2_4 C -0.21603(18) -0.25963(8) -0.1773(2)
C3_4 C -0.18861(14) -0.26010(10) -0.1269(2)
H3_4 H -0.1625 -0.2613 -0.1136
C4_4 C -0.20017(13) -0.25878(10) -0.09644(17)
C5_4 C -0.23916(13) -0.25699(6) -0.11638(13)
C6_4 C -0.26658(13) -0.25652(6) -0.16680(13)
C7_4 C -0.30557(13) -0.25472(9) -0.18675(18)
C8_4 C -0.31714(15) -0.25340(10) -0.1563(2)
H8_4 H -0.3432 -0.2522 -0.1696
C9_4 C -0.28971(19) -0.25388(9) -0.1059(2)
H9_4 H -0.2975 -0.2530 -0.0855
C10_4 C -0.25072(18) -0.25567(9) -0.08591(16)
H10_4 H -0.2324 -0.2560 -0.0522
O41_4 O -0.1748(3) -0.25881(14) -0.0460(3)
C42_4 C -0.1349(3) -0.2598(2) -0.0236(4)
H42A_4 H -0.1268 -0.2443 -0.0304
H42B_4 H -0.1294 -0.2737 -0.0372
P43_4 P -0.1089(2) -0.26373(13) 0.03979(19)
O44_4 O -0.1209(4) -0.2856(2) 0.0530(4)
O45_4 O -0.0671(3) -0.2606(2) 0.0614(3)
O46_4 O -0.1230(3) -0.2387(2) 0.0610(3)
C21_4 C -0.2018(4) -0.25955(19) -0.2084(5)
O22_4 O -0.1671(2) -0.25861(15) -0.1900(3)
O22_5 O -0.3908(2) -0.29790(11) -0.4269(2)
C21_5 C -0.3567(4) -0.2972(2) -0.3861(5)
N1_5 N -0.29606(15) -0.28177(8) -0.34507(18)
C2_5 C -0.32920(13) -0.28861(8) -0.3904(2)
C3_5 C -0.32838(14) -0.29049(9) -0.43056(17)
H3_5 H -0.3506 -0.2951 -0.4609
C4_5 C -0.29442(16) -0.28551(9) -0.42548(14)
C5_5 C -0.26127(14) -0.27867(6) -0.38019(14)
C6_5 C -0.26209(13) -0.27679(5) -0.33999(14)
C7_5 C -0.22894(15) -0.26995(8) -0.29470(14)
C8_5 C -0.19498(14) -0.26498(9) -0.28962(19)
H8_5 H -0.1728 -0.2604 -0.2593
C9_5 C -0.19416(14) -0.26685(9) -0.3298(2)
H9_5 H -0.1714 -0.2635 -0.3264
C10_5 C -0.22731(16) -0.27370(9) -0.3751(2)
H10_5 H -0.2268 -0.2750 -0.4020
O41_5 O -0.2907(2) -0.28797(13) -0.4623(3)
C42_5 C -0.3257(3) -0.29838(19) -0.5092(4)
H42A_5 H -0.3479 -0.2873 -0.5229
H42B_5 H -0.3323 -0.3151 -0.5046
P43_5 P -0.30812(18) -0.29928(11) -0.54872(17)
O44_5 O -0.2719(3) -0.31337(18) -0.5269(3)
O45_5 O -0.3430(3) -0.3126(2) -0.5995(4)
O46_5 O -0.3106(3) -0.26899(18) -0.5618(3)
N71_5 N -0.2322(2) -0.26693(13) -0.2542(3)
H71_5 H -0.2541 -0.2699 -0.2596
O41_6 O -0.2983(2) -0.32487(13) -0.1228(2)
C42_6 C -0.2575(3) -0.32446(19) -0.0717(4)
H42A_6 H -0.2438 -0.3090 -0.0675
H42B_6 H -0.2419 -0.3387 -0.0685
P43_6 P -0.26788(15) -0.32645(8) -0.02818(14)
O44_6 O -0.2907(2) -0.30479(13) -0.0314(2)
O45_6 O -0.2214(2) -0.32622(17) 0.0223(3)
O46_6 O -0.2936(3) -0.35444(12) -0.0390(2)
N1_6 N -0.30730(16) -0.32029(8) -0.25052(18)
C2_6 C -0.27086(14) -0.32274(8) -0.2065(2)
C3_6 C -0.26699(14) -0.32480(10) -0.16299(18)
H3_6 H -0.2426 -0.3264 -0.1335
C4_6 C -0.29955(16) -0.32442(10) -0.16349(14)
C5_6 C -0.33599(14) -0.32197(7) -0.20751(14)
C6_6 C -0.33987(14) -0.31991(6) -0.25102(14)
C7_6 C -0.37630(15) -0.31747(9) -0.29504(14)
C8_6 C -0.40887(14) -0.31708(10) -0.2955(2)
H8_6 H -0.4333 -0.3154 -0.3250
C9_6 C -0.40500(15) -0.31915(10) -0.2520(2)
H9_6 H -0.4268 -0.3189 -0.2524
C10_6 C -0.36856(16) -0.32159(10) -0.2080(2)
H10_6 H -0.3660 -0.3230 -0.1789
C21_6 C -0.2342(4) -0.3237(2) -0.2024(4)
O22_6 O -0.2057(3) -0.32040(18) -0.1682(3)
N72_6 N -0.3527(2) -0.30277(14) -0.3463(3)
H72_6 H -0.3301 -0.3015 -0.3191
C71_6 C -0.3854(3) -0.31135(16) -0.3446(3)
H71A_6 H -0.3968 -0.3263 -0.3650
H71B_6 H -0.4050 -0.2983 -0.3596
O41_7 O -0.1927(2) -0.34133(13) -0.3800(3)
C42_7 C -0.2062(3) -0.34784(19) -0.4326(4)
H42A_7 H -0.2207 -0.3340 -0.4550
H42B_7 H -0.2219 -0.3630 -0.4448
P43_7 P -0.16046(18) -0.35274(11) -0.4241(2)
O44_7 O -0.1449(3) -0.3253(2) -0.4117(4)
O46_7 O -0.1832(2) -0.35690(17) -0.4863(3)
O45_7 O -0.1386(3) -0.3769(2) -0.3944(4)
N71_7 N -0.2410(2) -0.32759(13) -0.2491(3)
H71_7 H -0.2648 -0.3282 -0.2741
N1_7 N -0.26727(14) -0.33962(8) -0.3416(2)
C2_7 C -0.28117(15) -0.34431(9) -0.3897(2)
C3_7 C -0.2560(2) -0.34449(9) -0.40262(17)
H3_7 H -0.2653 -0.3476 -0.4348
C4_7 C -0.21685(19) -0.33997(10) -0.3675(2)
C5_7 C -0.20295(14) -0.33528(6) -0.31936(18)
C6_7 C -0.22816(14) -0.33510(6) -0.30641(17)
C7_7 C -0.21426(19) -0.33041(9) -0.25830(18)
C8_7 C -0.1751(2) -0.32590(9) -0.22315(17)
H8_7 H -0.1658 -0.3228 -0.1910
C9_7 C -0.14994(16) -0.32607(10) -0.2361(2)
H9_7 H -0.1238 -0.3230 -0.2126
C10_7 C -0.16384(14) -0.33076(10) -0.2842(2)
H10_7 H -0.1470 -0.3309 -0.2929
C21_7 C -0.3183(4) -0.35189(17) -0.4173(4)
O22_7 O -0.33568(19) -0.35291(12) -0.4648(2)
N72_8 N -0.3424(2) -0.35817(13) -0.4040(3)
H72_8 H -0.3312 -0.3559 -0.3733
C71_8 C -0.3826(3) -0.36780(18) -0.4289(3)
H71A_8 H -0.3991 -0.3565 -0.4560
H71B_8 H -0.3836 -0.3839 -0.4431
O22_8 O -0.2633(2) -0.38535(11) -0.2009(3)
N1_8 N -0.34107(15) -0.37861(9) -0.3263(2)
C2_8 C -0.32174(15) -0.38352(9) -0.2767(2)
C3_8 C -0.34239(19) -0.38616(10) -0.25736(16)
H3_8 H -0.3295 -0.3894 -0.2242
C4_8 C -0.38236(19) -0.38388(10) -0.28751(18)
C5_8 C -0.40169(15) -0.37897(7) -0.33703(17)
C6_8 C -0.38104(15) -0.37634(6) -0.35641(16)
C7_8 C -0.40037(19) -0.37142(9) -0.40593(16)
C8_8 C -0.44034(19) -0.36915(10) -0.43608(16)
H8_8 H -0.4533 -0.3659 -0.4692
C9_8 C -0.46099(15) -0.37178(11) -0.4167(2)
H9_8 H -0.4877 -0.3703 -0.4369
C10_8 C -0.44167(14) -0.37669(11) -0.3672(2)
H10_8 H -0.4555 -0.3785 -0.3542
C21_8 C -0.2822(4) -0.3874(2) -0.2477(5)
O41_8 O -0.4056(2) -0.38656(14) -0.2722(3)
C42_8 C -0.3859(3) -0.39303(19) -0.2191(3)
H42A_8 H -0.3676 -0.3799 -0.1984
H42B_8 H -0.3720 -0.4088 -0.2112
P43_8 P -0.42262(15) -0.39568(10) -0.20932(18)
O44_8 O -0.4028(2) -0.41069(15) -0.1642(3)
O45_8 O -0.4340(3) -0.36673(17) -0.2022(4)
O46_8 O -0.4630(2) -0.4098(2) -0.2603(3)
N71_9 N -0.2589(3) -0.38910(16) -0.2609(3)
H71_9 H -0.2721 -0.3897 -0.2922
O22_9 O -0.2499(2) -0.40532(14) -0.4343(3)
N1_9 N -0.23834(13) -0.39727(9) -0.32158(18)
C2_9 C -0.22751(19) -0.40201(9) -0.35216(17)
C3_9 C -0.1887(2) -0.40439(10) -0.3327(2)
H3_9 H -0.1814 -0.4076 -0.3532
C4_9 C -0.16068(15) -0.40202(10) -0.2826(2)
C5_9 C -0.17151(13) -0.39727(7) -0.25203(17)
C6_9 C -0.21034(13) -0.39489(6) -0.27151(17)
C7_9 C -0.22118(18) -0.39015(10) -0.2409(2)
C8_9 C -0.1932(2) -0.38778(10) -0.1909(2)
H8_9 H -0.2004 -0.3846 -0.1704
C9_9 C -0.1543(2) -0.39015(11) -0.17138(17)
H9_9 H -0.1356 -0.3886 -0.1379
C10_9 C -0.14351(15) -0.39490(11) -0.20197(18)
H10_9 H -0.1175 -0.3965 -0.1889
C21_9 C -0.2621(5) -0.4080(2) -0.4088(5)
C42_9 C -0.1139(4) -0.4144(3) -0.2928(5)
H42A_9 H -0.1183 -0.4023 -0.3171
H42B_9 H -0.1298 -0.4292 -0.3091
O41_9 O -0.1204(2) -0.40350(19) -0.2592(3)
P43_9 P -0.0609(2) -0.42287(17) -0.2484(3)
O45_9 O -0.0586(4) -0.4472(3) -0.2217(6)
O46_9 O -0.0425(3) -0.3956(2) -0.2296(5)
O44_9 O -0.0557(4) -0.4329(3) -0.2834(6)
N72_10 N -0.2964(3) -0.41303(18) -0.4191(4)
H72_10 H -0.3023 -0.4111 -0.3990
C71_10 C -0.3232(3) -0.4223(2) -0.4696(4)
H71A_10 H -0.3142 -0.4384 -0.4730
H71B_10 H -0.3240 -0.4104 -0.4920
O22_10 O -0.3376(2) -0.44375(13) -0.2912(3)
N1_10 N -0.34469(13) -0.43489(9) -0.40164(18)
C2_10 C -0.35496(19) -0.44046(9) -0.37074(17)
C3_10 C -0.3937(2) -0.44198(10) -0.3893(2)
H3_10 H -0.4006 -0.4457 -0.3686
C4_10 C -0.42214(16) -0.43792(11) -0.4388(2)
C5_10 C -0.41187(13) -0.43234(7) -0.46969(18)
C6_10 C -0.37315(13) -0.43083(6) -0.45112(17)
C7_10 C -0.36287(18) -0.42525(10) -0.4820(2)
C8_10 C -0.3913(2) -0.42119(11) -0.5315(2)
H8_10 H -0.3845 -0.4175 -0.5522
C9_10 C -0.4301(2) -0.42270(11) -0.55007(17)
H9_10 H -0.4491 -0.4200 -0.5832
C10_10 C -0.44033(15) -0.42828(11) -0.51917(19)
H10_10 H -0.4662 -0.4293 -0.5316
C21_10 C -0.3271(4) -0.44474(19) -0.3162(4)
O41_10 O -0.4643(2) -0.43832(14) -0.4611(3)
C42_10 C -0.4780(3) -0.44186(18) -0.4306(4)
H42A_10 H -0.4683 -0.4287 -0.4062
H42B_10 H -0.4701 -0.4581 -0.4144
P43_10 P -0.52840(15) -0.44009(10) -0.4731(2)
O45_10 O -0.5406(2) -0.41510(16) -0.5035(3)
O44_10 O -0.5435(2) -0.46518(16) -0.5052(3)
O46_10 O -0.5498(3) -0.43733(19) -0.4448(4)
N17_11 N -0.2920(3) -0.44657(13) -0.3077(3)
H17_11 H -0.2905 -0.4445 -0.3316
C42_11 C -0.0873(4) -0.4720(3) -0.1545(4)
H42A_11 H -0.0762 -0.4573 -0.1589
H42B_11 H -0.0928 -0.4842 -0.1791
O41_11 O -0.1216(3) -0.4649(2) -0.1640(3)
P43_11 P -0.0514(2) -0.4852(2) -0.0965(2)
O45_11 O -0.0510(4) -0.4654(3) -0.0626(4)
O46_11 O -0.0672(4) -0.5139(3) -0.0909(4)
O44_11 O -0.0117(3) -0.4864(3) -0.0830(4)
N1_11 N -0.22455(17) -0.45734(9) -0.29709(14)
C2_11 C -0.1909(2) -0.46132(9) -0.2932(2)
C3_11 C -0.15580(17) -0.46387(10) -0.2475(3)
H3_11 H -0.1333 -0.4665 -0.2449
C4_11 C -0.15440(13) -0.46243(10) -0.2056(2)
C5_11 C -0.18808(13) -0.45845(7) -0.20944(14)
C6_11 C -0.22315(13) -0.45590(6) -0.25520(14)
C7_11 C -0.25683(13) -0.45192(9) -0.2591(2)
C8_11 C -0.25544(18) -0.45049(10) -0.2172(3)
H8_11 H -0.2780 -0.4478 -0.2198
C9_11 C -0.2204(2) -0.45303(10) -0.1714(2)
H9_11 H -0.2194 -0.4521 -0.1434
C10_11 C -0.18668(18) -0.45702(10) -0.16755(15)
H10_11 H -0.1632 -0.4587 -0.1369
O22_11 O -0.1649(2) -0.46586(16) -0.3361(3)
C21_11 C -0.1981(5) -0.46615(19) -0.3427(5)
N72_12 N -0.2349(3) -0.47229(15) -0.3833(3)
H72_12 H -0.2550 -0.4695 -0.3840
C71_12 C -0.2379(3) -0.48355(17) -0.4241(3)
H71A_12 H -0.2195 -0.4757 -0.4280
H71B_12 H -0.2320 -0.5014 -0.4181
O22_12 O -0.36980(19) -0.50110(10) -0.39642(19)
C21_12 C -0.3390(3) -0.50274(15) -0.3882(3)
N1_12 N -0.30762(16) -0.49333(8) -0.43137(14)
C2_12 C -0.3413(2) -0.49883(8) -0.4361(2)
C3_12 C -0.37692(16) -0.49662(9) -0.4814(2)
H3_12 H -0.3995 -0.5003 -0.4846
C4_12 C -0.37881(13) -0.48891(10) -0.52188(19)
C5_12 C -0.34510(13) -0.48341(7) -0.51711(14)
C6_12 C -0.30951(12) -0.48562(6) -0.47186(14)
C7_12 C -0.27581(13) -0.48012(9) -0.4671(2)
C8_12 C -0.27769(19) -0.47242(10) -0.5076(3)
H8_12 H -0.2551 -0.4687 -0.5044
C9_12 C -0.3133(2) -0.47021(10) -0.5528(2)
H9_12 H -0.3145 -0.4650 -0.5799
C10_12 C -0.34699(18) -0.47570(10) -0.55760(15)
H10_12 H -0.3708 -0.4742 -0.5879
O41_12 O -0.4153(2) -0.48897(15) -0.5696(2)
C42_12 C -0.4493(3) -0.4924(2) -0.5748(3)
H42A_12 H -0.4523 -0.4795 -0.5568
H42B_12 H -0.4500 -0.5088 -0.5628
P43_12 P -0.48708(14) -0.48968(9) -0.63970(14)
O44_12 O -0.4841(2) -0.46282(15) -0.6548(3)
O46_12 O -0.5301(3) -0.49646(18) -0.6502(4)
O45_12 O -0.4769(2) -0.50940(13) -0.6658(2)
C42_13 C -0.1442(4) -0.5348(2) -0.1000(4)
H42A_13 H -0.1273 -0.5205 -0.0924
H42B_13 H -0.1383 -0.5482 -0.1142
O41_13 O -0.1874(3) -0.52703(13) -0.1345(3)
O22_13 O -0.1262(3) -0.52422(15) -0.2283(3)
P43_13 P -0.1401(3) -0.54546(19) -0.0473(3)
O44_13 O -0.1729(4) -0.5623(3) -0.0619(5)
O46_13 O -0.1421(4) -0.5167(3) -0.0286(4)
O45_13 O -0.0990(3) -0.5571(2) -0.0189(3)
N1_13 N -0.22739(17) -0.51652(8) -0.28072(18)
C2_13 C -0.18844(16) -0.52130(8) -0.2451(2)
C3_13 C -0.17462(14) -0.52416(9) -0.1966(2)
H3_13 H -0.1486 -0.5274 -0.1728
C4_13 C -0.19976(15) -0.52225(9) -0.18368(15)
C5_13 C -0.23871(15) -0.51747(6) -0.21928(14)
C6_13 C -0.25253(14) -0.51461(6) -0.26780(14)
C7_13 C -0.29149(15) -0.50983(9) -0.30339(15)
C8_13 C -0.31662(14) -0.50792(9) -0.2905(2)
H8_13 H -0.3427 -0.5047 -0.3143
C9_13 C -0.30281(17) -0.51078(9) -0.2419(2)
H9_13 H -0.3196 -0.5095 -0.2333
C10_13 C -0.26385(18) -0.51556(9) -0.20635(19)
H10_13 H -0.2546 -0.5175 -0.1739
C21_13 C -0.1626(4) -0.52566(19) -0.2622(6)
N71_13 N -0.3043(2) -0.50596(12) -0.3526(3)
H71_13 H -0.2873 -0.5058 -0.3582
O22_14 O -0.3400(3) -0.55848(14) -0.4524(3)
N1_14 N -0.23861(18) -0.55138(9) -0.39745(18)
C2_14 C -0.27744(17) -0.55632(9) -0.4334(2)
C3_14 C -0.29134(15) -0.55737(11) -0.4822(2)
H3_14 H -0.3173 -0.5607 -0.5062
C4_14 C -0.26642(17) -0.55347(11) -0.49500(15)
C5_14 C -0.22759(16) -0.54852(7) -0.45904(15)
C6_14 C -0.21369(15) -0.54748(6) -0.41026(14)
C7_14 C -0.17486(15) -0.54253(10) -0.37430(17)
C8_14 C -0.14993(15) -0.53863(11) -0.3871(2)
H8_14 H -0.1240 -0.5353 -0.3630
C9_14 C -0.16383(18) -0.53968(11) -0.4359(3)
H9_14 H -0.1472 -0.5371 -0.4445
C10_14 C -0.20266(19) -0.54462(11) -0.4718(2)
H10_14 H -0.2120 -0.5453 -0.5045
C21_14 C -0.3047(4) -0.5595(2) -0.4208(5)
N72_14 N -0.1853(3) -0.53021(15) -0.3127(3)
H72_14 H -0.2098 -0.5284 -0.3342
C71_14 C -0.1559(3) -0.5390(2) -0.3193(4)
H71A_14 H -0.1449 -0.5548 -0.3022
H71B_14 H -0.1352 -0.5266 -0.3056
O41_14 O -0.2805(3) -0.55405(15) -0.5459(3)
C42_14 C -0.3195(4) -0.5482(2) -0.5847(4)
H42A_14 H -0.3277 -0.5325 -0.5786
H42B_14 H -0.3369 -0.5617 -0.5902
P43_14 P -0.3163(2) -0.54504(11) -0.63542(17)
O44_14 O -0.3553(3) -0.5370(2) -0.6756(4)
O46_14 O -0.3006(3) -0.57447(18) -0.6428(3)
O45_14 O -0.2792(3) -0.5212(2) -0.6161(3)
O41_15 O -0.2828(2) -0.58095(14) -0.1943(3)
C42_15 C -0.2609(3) -0.5862(2) -0.1435(4)
H42A_15 H -0.2404 -0.5738 -0.1256
H42B_15 H -0.2491 -0.6027 -0.1371
P43_15 P -0.2895(3) -0.58539(17) -0.1235(3)
O44_15 O -0.2761(5) -0.5924(3) -0.0708(5)
O46_15 O -0.3232(4) -0.5630(2) -0.1512(4)
O45_15 O -0.3192(4) -0.6083(3) -0.1530(5)
N1_15 N -0.23934(15) -0.57556(8) -0.2735(2)
C2_15 C -0.21471(14) -0.58000(9) -0.2235(2)
C3_15 C -0.22957(18) -0.58212(9) -0.19679(16)
H3_15 H -0.2131 -0.5851 -0.1633
C4_15 C -0.26906(19) -0.57980(9) -0.22008(17)
C5_15 C -0.29369(15) -0.57537(6) -0.27010(16)
C6_15 C -0.27883(15) -0.57325(6) -0.29683(15)
C7_15 C -0.30346(18) -0.56882(8) -0.34685(15)
C8_15 C -0.34295(17) -0.56651(9) -0.37014(17)
H8_15 H -0.3594 -0.5635 -0.4036
C9_15 C -0.35781(14) -0.56863(9) -0.3434(2)
H9_15 H -0.3842 -0.5671 -0.3590
C10_15 C -0.33318(16) -0.57306(9) -0.2934(2)
H10_15 H -0.3431 -0.5745 -0.2755
N71_15 N -0.2864(2) -0.56421(12) -0.3700(3)
H71_15 H -0.2616 -0.5641 -0.3515
C21_15 C -0.1754(4) -0.58642(19) -0.2057(5)
O22_15 O -0.1509(2) -0.58663(16) -0.1610(3)
N72_16 N -0.1703(3) -0.59217(15) -0.2405(3)
H72_16 H -0.1877 -0.5883 -0.2705
C71_16 C -0.1344(3) -0.6051(2) -0.2263(3)
H71A_16 H -0.1383 -0.6232 -0.2268
H71B_16 H -0.1139 -0.6005 -0.1928
N1_16 N -0.18479(17) -0.61192(10) -0.3254(2)
C2_16 C -0.21224(15) -0.61761(10) -0.3744(2)
C3_16 C -0.20265(18) -0.61621(11) -0.40694(17)
H3_16 H -0.2210 -0.6200 -0.4398
C4_16 C -0.1656(2) -0.60913(11) -0.39036(17)
C5_16 C -0.13814(16) -0.60344(8) -0.34128(18)
C6_16 C -0.14774(16) -0.60484(7) -0.30879(16)
C7_16 C -0.12028(19) -0.59916(11) -0.25971(16)
C8_16 C -0.08323(18) -0.59208(11) -0.2431(2)
H8_16 H -0.0649 -0.5883 -0.2103
C9_16 C -0.07363(16) -0.59068(11) -0.2756(3)
H9_16 H -0.0488 -0.5859 -0.2645
C10_16 C -0.10109(18) -0.59636(11) -0.3247(3)
H10_16 H -0.0947 -0.5954 -0.3464
O41_16 O -0.1541(2) -0.60720(15) -0.4190(3)
C21_16 C -0.2536(4) -0.6198(2) -0.3971(5)
C42_16 C -0.1804(3) -0.6131(2) -0.4695(4)
H42A_16 H -0.2001 -0.6001 -0.4861
H42B_16 H -0.1929 -0.6291 -0.4736
O22_16 O -0.2815(2) -0.62131(14) -0.4396(3)
P43_16 P -0.1537(2) -0.61490(14) -0.4951(2)
O44_16 O -0.1760(3) -0.6335(2) -0.5344(4)
O46_16 O -0.1451(3) -0.5864(2) -0.5101(4)
O45_16 O -0.1079(3) -0.6238(3) -0.4563(4)
O41_17 O -0.3631(2) -0.63898(14) -0.2966(3)
C42_17 C -0.3620(3) -0.6424(2) -0.2535(4)
H42A_17 H -0.3486 -0.6284 -0.2312
H42B_17 H -0.3483 -0.6579 -0.2368
P43_17 P -0.4112(3) -0.64415(19) -0.2719(3)
O44_17 O -0.4160(3) -0.6561(3) -0.2387(5)
O46_17 O -0.4295(5) -0.6156(3) -0.2999(6)
O45_17 O -0.4350(4) -0.6657(3) -0.3152(5)
N1_17 N -0.26250(13) -0.63414(6) -0.28239(19)
C2_17 C -0.26224(17) -0.63841(7) -0.24181(17)
C3_17 C -0.2968(2) -0.64121(8) -0.24748(18)
H3_17 H -0.2967 -0.6441 -0.2203
C4_17 C -0.33171(17) -0.63975(7) -0.2937(2)
C5_17 C -0.33197(13) -0.63548(5) -0.33432(17)
C6_17 C -0.29737(13) -0.63268(5) -0.32865(17)
C7_17 C -0.29763(18) -0.62841(6) -0.3692(2)
C8_17 C -0.3325(2) -0.62694(8) -0.41548(18)
H8_17 H -0.3327 -0.6241 -0.4426
C9_17 C -0.36710(18) -0.62975(8) -0.42116(17)
H9_17 H -0.3904 -0.6288 -0.4521
C10_17 C -0.36684(13) -0.63401(7) -0.3806(2)
H10_17 H -0.3900 -0.6359 -0.3844
C21_17 C -0.2201(4) -0.6430(2) -0.1945(5)
O22_17 O -0.2219(2) -0.64004(15) -0.1597(3)
N71_17 N -0.2616(2) -0.62607(12) -0.3613(3)
H71_17 H -0.2416 -0.6286 -0.3318
O1_18 O -0.1957(3) -0.64816(16) -0.2001(3)
C2_18 C -0.1552(4) -0.6510(3) -0.1533(5)
H2A_18 H -0.1446 -0.6342 -0.1417
H2B_18 H -0.1573 -0.6586 -0.1290
C3_18 C -0.1280(3) -0.6655(2) -0.1552(4)
H3A_18 H -0.1258 -0.6585 -0.1798
H3B_18 H -0.1371 -0.6828 -0.1643
Si4_18 Si -0.08023(14) -0.66516(8) -0.09508(15)
C5_18 C -0.0830(4) -0.6680(3) -0.0457(4)
H5A_18 H -0.0952 -0.6837 -0.0482
H5B_18 H -0.0979 -0.6543 -0.0464
H5C_18 H -0.0575 -0.6676 -0.0156
C6_18 C -0.0532(4) -0.6345(3) -0.0860(5)
H6A_18 H -0.0676 -0.6204 -0.0868
H6B_18 H -0.0501 -0.6327 -0.1116
H6C_18 H -0.0282 -0.6349 -0.0550
C7_18 C -0.0506(3) -0.6922(3) -0.0911(4)
H7A_18 H -0.0479 -0.6910 -0.1171
H7B_18 H -0.0632 -0.7077 -0.0939
H7C_18 H -0.0256 -0.6916 -0.0602
C64_19 C -0.4426(7) -0.6581(6) -0.5554(9)
H64_19 H -0.4450 -0.6530 -0.5296
Cl2_19 Cl -0.4040(2) -0.65214(15) -0.5475(2)
Cl4_19 Cl -0.48705(19) -0.65682(14) -0.6197(2)
Cl3_19 Cl -0.44055(18) -0.69743(14) -0.56610(19)

#END
