
#######################################################################
#
#                 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           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
_space_group_name_Hall           '-P 1'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   26.415(17)
_cell_length_b                   28.192(14)
_cell_length_c                   42.64(2)
_cell_angle_alpha                85.650(11)
_cell_angle_beta                 75.41(2)
_cell_angle_gamma                75.48(5)
_cell_volume                     29745.5
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O3_1 O 0.4797(3) 0.8075(2) 0.55446(18)
O2_1 O 0.4580(4) 0.8795(3) 0.5816(2)
C4_1 C 0.4415(5) 0.7853(4) 0.5790(3)
C6_1 C 0.4600(6) 0.7797(5) 0.6120(3)
H6A_1 H 0.4973 0.7604 0.6083
H6B_1 H 0.4366 0.7629 0.6281
H6C_1 H 0.4573 0.8122 0.6198
C1_1 C 0.4842(4) 0.8526(3) 0.5590(2)
C5_1 C 0.3852(6) 0.8142(4) 0.5823(3)
H5A_1 H 0.3760 0.8163 0.5613
H5B_1 H 0.3817 0.8473 0.5896
H5C_1 H 0.3607 0.7982 0.5982
C7_1 C 0.4511(6) 0.7344(4) 0.5624(4)
H7A_1 H 0.4364 0.7397 0.5431
H7B_1 H 0.4331 0.7126 0.5777
H7C_1 H 0.4899 0.7194 0.5560
N1_2 N 0.53278(14) 0.92893(14) 0.47437(11)
C2_2 C 0.52147(16) 0.97548(14) 0.46057(13)
C3_2 C 0.56337(19) 0.99605(14) 0.44385(14)
H3_2 H 0.5557 1.0279 0.4344
C4_2 C 0.61653(18) 0.97011(16) 0.44092(14)
C5_2 C 0.62780(14) 0.92354(14) 0.45472(10)
C6_2 C 0.58591(14) 0.90297(11) 0.47146(9)
C7_2 C 0.59717(18) 0.85643(13) 0.48527(12)
C8_2 C 0.6504(2) 0.83048(14) 0.48236(15)
H8_2 H 0.6581 0.7987 0.4918
C9_2 C 0.69221(16) 0.85109(18) 0.46559(16)
H9_2 H 0.7285 0.8334 0.4636
C10_2 C 0.68095(14) 0.89764(18) 0.45176(15)
H10_2 H 0.7096 0.9117 0.4403
C42_2 C 0.6560(5) 1.0367(3) 0.41287(15)
H42A_2 H 0.6745 1.0550 0.4235
H42B_2 H 0.6177 1.0547 0.4163
O41_2 O 0.6597(3) 0.9884(3) 0.4266(2)
O22_2 O 0.4509(3) 1.04328(18) 0.45677(16)
C21_2 C 0.4645(3) 1.0007(2) 0.4634(2)
P43_2 P 0.6871(2) 1.03168(16) 0.37036(11)
O46_2 O 0.7491(3) 1.0119(4) 0.3682(3)
O44_2 O 0.6768(4) 1.0806(3) 0.3547(2)
O45_2 O 0.6705(5) 0.9912(3) 0.3558(3)
C71_2 C 0.5513(3) 0.8370(3) 0.50553(18)
H71A_2 H 0.5256 0.8367 0.4922
H71B_2 H 0.5654 0.8027 0.5120
C50_2 C 0.8311(6) 0.9544(7) 0.3718(6)
H50A_2 H 0.8470 0.9247 0.3827
H50B_2 H 0.8458 0.9815 0.3757
H50C_2 H 0.8397 0.9487 0.3484
N72_2 N 0.5224(3) 0.8655(2) 0.53465(17)
H72_2 H 0.5306 0.8934 0.5365
C49_2 C 0.7712(6) 0.9672(6) 0.3847(6)
H49A_2 H 0.7559 0.9402 0.3807
H49B_2 H 0.7621 0.9725 0.4084
P43_3 P 0.12471(13) 0.90087(10) 0.52281(8)
O46_3 O 0.1069(3) 0.9265(2) 0.55651(13)
O44_3 O 0.1118(3) 0.9315(3) 0.49565(17)
C48_3 C 0.0388(4) 0.8450(4) 0.5810(2)
H48A_3 H 0.0360 0.8253 0.6010
H48B_3 H 0.0112 0.8418 0.5702
H48C_3 H 0.0336 0.8795 0.5861
O45_3 O 0.0980(3) 0.8561(2) 0.52917(16)
C47_3 C 0.0935(4) 0.8272(3) 0.5589(2)
H47A_3 H 0.1215 0.8300 0.5699
H47B_3 H 0.0991 0.7923 0.5539
C49_3 C 0.0831(5) 0.9785(3) 0.5616(3)
H49A_3 H 0.0446 0.9840 0.5731
H49B_3 H 0.0858 0.9963 0.5406
C50_3 C 0.1134(7) 0.9968(5) 0.5816(5)
H50A_3 H 0.0985 1.0320 0.5852
H50B_3 H 0.1516 0.9909 0.5702
H50C_3 H 0.1100 0.9794 0.6025
N71_3 N 0.4305(2) 0.9709(2) 0.47834(19)
H71_3 H 0.4460 0.9414 0.4843
O22_3 O 0.3836(3) 0.7700(2) 0.4996(2)
N1_3 N 0.38534(14) 0.89530(11) 0.49066(10)
C2_3 C 0.36304(19) 0.85497(10) 0.49854(13)
C3_3 C 0.30744(19) 0.86161(12) 0.50839(13)
H3_3 H 0.2922 0.8340 0.5138
C4_3 C 0.27413(15) 0.90860(14) 0.51038(11)
C5_3 C 0.29642(13) 0.94900(11) 0.50255(9)
C6_3 C 0.35200(13) 0.94232(10) 0.49268(8)
C7_3 C 0.37432(16) 0.98271(12) 0.48484(11)
C8_3 C 0.3410(2) 1.02968(11) 0.48687(13)
H8_3 H 0.3563 1.0573 0.4815
C9_3 C 0.2854(2) 1.03633(10) 0.49674(14)
H9_3 H 0.2626 1.0685 0.4981
C10_3 C 0.26311(15) 0.99598(13) 0.50457(12)
H10_3 H 0.2251 1.0005 0.5113
C21_3 C 0.3998(3) 0.8060(2) 0.4910(2)
C42_3 C 0.19573(19) 0.8746(2) 0.5183(3)
H42A_3 H 0.2020 0.8521 0.5367
H42B_3 H 0.2113 0.8562 0.4979
O41_3 O 0.2198(2) 0.9156(2) 0.51793(17)
C21_4 C 0.4986(3) 0.9227(2) 0.3975(2)
O22_4 O 0.5152(3) 0.9572(2) 0.38479(18)
C71_4 C 0.4873(2) 0.7609(2) 0.4601(2)
H71A_4 H 0.4738 0.7508 0.4426
H71B_4 H 0.4854 0.7354 0.4773
N72_4 N 0.4500(3) 0.8062(2) 0.4736(2)
H72_4 H 0.4603 0.8339 0.4704
O41_4 O 0.6853(2) 0.8284(3) 0.3810(2)
P43_4 P 0.7708(2) 0.84300(16) 0.33661(13)
C42_4 C 0.7027(3) 0.8662(3) 0.3595(3)
H42A_4 H 0.7008 0.8948 0.3722
H42B_4 H 0.6786 0.8769 0.3445
O45_4 O 0.7680(4) 0.7992(3) 0.3170(2)
N1_4 N 0.52334(15) 0.84027(15) 0.42188(13)
C2_4 C 0.5394(2) 0.87838(14) 0.40257(13)
C3_4 C 0.5938(2) 0.87484(17) 0.38859(13)
H3_4 H 0.6048 0.9009 0.3754
C4_4 C 0.63203(17) 0.83324(19) 0.39394(14)
C5_4 C 0.61598(15) 0.79513(15) 0.41327(11)
C6_4 C 0.56163(15) 0.79863(13) 0.42726(10)
C7_4 C 0.54555(19) 0.76049(16) 0.44659(14)
C8_4 C 0.5838(2) 0.71888(15) 0.45194(15)
H8_4 H 0.5729 0.6928 0.4651
C9_4 C 0.6382(2) 0.71540(16) 0.43800(17)
H9_4 H 0.6643 0.6870 0.4417
C10_4 C 0.65427(17) 0.75350(18) 0.41866(17)
H10_4 H 0.6914 0.7511 0.4091
C47_4 C 0.7406(7) 0.8068(6) 0.2906(3)
H47A_4 H 0.7646 0.7891 0.2711
H47B_4 H 0.7309 0.8421 0.2851
O44_4 O 0.7925(4) 0.8813(3) 0.3163(2)
O46_4 O 0.8032(4) 0.8183(3) 0.3617(2)
C48_4 C 0.6908(7) 0.7877(9) 0.3018(6)
H48A_4 H 0.6716 0.7924 0.2845
H48B_4 H 0.6674 0.8054 0.3210
H48C_4 H 0.7009 0.7527 0.3071
C49_4 C 0.8106(9) 0.7664(4) 0.3704(5)
P43_5 P 0.11390(14) 1.03942(10) 0.41648(8)
O22_5 O 0.2642(3) 0.8169(2) 0.44782(17)
N1_5 N 0.35221(16) 0.89589(10) 0.42272(12)
C2_5 C 0.30334(18) 0.88249(11) 0.43218(13)
C3_5 C 0.25534(16) 0.91765(15) 0.43382(13)
H3_5 H 0.2219 0.9085 0.4403
C4_5 C 0.25624(14) 0.96626(13) 0.42595(14)
C5_5 C 0.30508(15) 0.97964(10) 0.41648(10)
C6_5 C 0.35306(14) 0.94443(10) 0.41483(9)
C7_5 C 0.40195(15) 0.95787(14) 0.40536(13)
C8_5 C 0.40286(19) 1.00649(16) 0.39752(14)
H8_5 H 0.4363 1.0157 0.3911
C9_5 C 0.3548(2) 1.04164(12) 0.39910(14)
H9_5 H 0.3554 1.0748 0.3937
C10_5 C 0.30596(19) 1.02825(10) 0.40861(14)
H10_5 H 0.2732 1.0523 0.4097
O41_5 O 0.2102(2) 1.00118(18) 0.42718(17)
O45_5 O 0.0703(3) 1.0156(3) 0.4092(2)
C21_5 C 0.3049(3) 0.8294(2) 0.4355(2)
O46_5 O 0.0827(3) 1.0695(2) 0.44812(13)
C42_5 C 0.1603(3) 0.9877(2) 0.4294(2)
H42A_5 H 0.1451 0.9784 0.4520
H42B_5 H 0.1667 0.9593 0.4153
O44_5 O 0.1390(3) 1.0682(2) 0.39024(15)
N71_5 N 0.4475(3) 0.9204(2) 0.40738(19)
H71_5 H 0.4414 0.8924 0.4161
C49_5 C 0.0447(5) 1.0494(4) 0.4733(2)
H49A_5 H 0.0635 1.0177 0.4813
H49B_5 H 0.0157 1.0437 0.4643
C50_5 C 0.0212(7) 1.0849(6) 0.5005(3)
H50A_5 H -0.0047 1.0719 0.5174
H50B_5 H 0.0027 1.1163 0.4923
H50C_5 H 0.0500 1.0900 0.5095
47_5 C 0.0916(11) 0.9960(9) 0.3686(6)
N72_6 N 0.3548(4) 0.7993(2) 0.4244(2)
H72_6 H 0.3835 0.8113 0.4176
C71_6 C 0.3588(3) 0.74707(19) 0.4241(2)
H71A_6 H 0.3352 0.7424 0.4105
H71B_6 H 0.3425 0.7376 0.4465
C47_6 C 0.8070(3) 0.6294(5) 0.3155(4)
H47A_6 H 0.8199 0.5963 0.3059
H47B_6 H 0.8136 0.6271 0.3375
C48_6 C 0.8361(5) 0.6643(7) 0.2947(5)
H48A_6 H 0.8748 0.6527 0.2932
H48B_6 H 0.8229 0.6969 0.3044
H48C_6 H 0.8295 0.6660 0.2730
N1_6 N 0.45450(18) 0.76859(12) 0.37986(13)
C2_6 C 0.5004(2) 0.78019(15) 0.36001(13)
C3_6 C 0.54907(19) 0.74512(19) 0.35378(15)
H3_6 H 0.5804 0.7531 0.3402
C4_6 C 0.55184(17) 0.69844(17) 0.36739(16)
C5_6 C 0.50596(18) 0.68683(12) 0.38720(12)
C6_6 C 0.45730(17) 0.72188(11) 0.39345(10)
C7_6 C 0.41138(19) 0.71028(15) 0.41326(14)
C8_6 C 0.4142(2) 0.66357(17) 0.42685(16)
H8_6 H 0.3828 0.6556 0.4404
C9_6 C 0.4629(3) 0.62847(14) 0.42064(17)
H9_6 H 0.4648 0.5966 0.4300
C10_6 C 0.5087(2) 0.64011(13) 0.40080(16)
H10_6 H 0.5420 0.6161 0.3965
O22_6 O 0.5383(3) 0.8405(3) 0.33167(19)
C21_6 C 0.4969(3) 0.8285(3) 0.3437(2)
P43_6 P 0.70534(17) 0.62655(15) 0.34146(11)
O41_6 O 0.5988(3) 0.6638(3) 0.3636(2)
O46_6 O 0.6897(4) 0.5915(3) 0.3208(2)
O44_6 O 0.7171(4) 0.6041(4) 0.37153(17)
C42_6 C 0.6477(3) 0.6785(3) 0.3478(3)
H42A_6 H 0.6533 0.7029 0.3613
H42B_6 H 0.6441 0.6942 0.3266
O45_6 O 0.7495(3) 0.6481(3) 0.3173(2)
C50_6 C 0.6439(9) 0.5320(6) 0.3126(5)
H50A_6 H 0.6334 0.5016 0.3209
H50B_6 H 0.6669 0.5269 0.2906
H50C_6 H 0.6116 0.5581 0.3123
C49_6 C 0.6744(7) 0.5465(4) 0.3341(4)
H49A_6 H 0.6515 0.5519 0.3564
H49B_6 H 0.7070 0.5202 0.3348
N71_7 N 0.4440(3) 0.85589(19) 0.34611(18)
H71_7 H 0.4173 0.8431 0.3566
N1_7 N 0.34011(16) 0.89519(11) 0.34975(11)
C2_7 C 0.28524(15) 0.91535(14) 0.35364(12)
C3_7 C 0.26710(14) 0.96357(14) 0.34406(12)
H3_7 H 0.2296 0.9773 0.3467
C4_7 C 0.30383(16) 0.99165(11) 0.33061(12)
C5_7 C 0.35868(15) 0.97147(10) 0.32672(9)
C6_7 C 0.37684(14) 0.92325(10) 0.33628(8)
C7_7 C 0.43170(15) 0.90306(13) 0.33241(12)
C8_7 C 0.46842(14) 0.93112(17) 0.31896(13)
H8_7 H 0.5059 0.9173 0.3162
C9_7 C 0.45035(17) 0.97934(17) 0.30946(13)
H9_7 H 0.4755 0.9985 0.3003
C10_7 C 0.39545(18) 0.99957(13) 0.31331(13)
H10_7 H 0.3831 1.0325 0.3068
O22_7 O 0.1996(3) 0.9011(2) 0.37301(17)
C21_7 C 0.2471(3) 0.8833(2) 0.3648(2)
O41_7 O 0.2875(3) 1.03874(16) 0.32087(17)
C42_7 C 0.2319(3) 1.0580(2) 0.3204(2)
H42A_7 H 0.2086 1.0590 0.3426
H42B_7 H 0.2207 1.0371 0.3070
P43_7 P 0.22662(16) 1.11875(10) 0.30317(9)
O46_7 O 0.2624(3) 1.1135(3) 0.26809(14)
O45_7 O 0.1667(2) 1.1349(3) 0.29993(19)
O44_7 O 0.2382(4) 1.1517(2) 0.32412(19)
C48_7 C 0.0747(4) 1.1421(6) 0.3300(5)
H48A_7 H 0.0461 1.1597 0.3476
H48B_7 H 0.0832 1.1071 0.3354
H48C_7 H 0.0626 1.1470 0.3098
C47_7 C 0.1239(4) 1.1614(5) 0.3258(4)
H47A_7 H 0.1155 1.1968 0.3203
H47B_7 H 0.1358 1.1572 0.3463
N72_8 N 0.2726(3) 0.8349(2) 0.36570(18)
H72_8 H 0.3079 0.8249 0.3610
N1_8 N 0.34567(17) 0.75169(11) 0.33912(11)
C2_8 C 0.39804(18) 0.72958(15) 0.32290(12)
C3_8 C 0.41933(17) 0.68010(15) 0.32798(13)
H3_8 H 0.4551 0.6650 0.3169
C4_8 C 0.38825(18) 0.65269(12) 0.34933(13)
C5_8 C 0.33592(16) 0.67482(10) 0.36555(10)
C6_8 C 0.31460(15) 0.72436(10) 0.36049(9)
C7_8 C 0.26224(16) 0.74641(12) 0.37671(12)
C8_8 C 0.23114(17) 0.71905(16) 0.39806(13)
H8_8 H 0.1954 0.7342 0.4092
C9_8 C 0.2525(2) 0.66956(16) 0.40313(14)
H9_8 H 0.2312 0.6508 0.4177
C10_8 C 0.3048(2) 0.64744(12) 0.38692(13)
H10_8 H 0.3194 0.6136 0.3904
C71_8 C 0.2380(3) 0.80065(16) 0.3749(2)
H71A_8 H 0.2148 0.8056 0.3594
H71B_8 H 0.2140 0.8105 0.3964
P43_8 P 0.47356(19) 0.51618(11) 0.35026(13)
O41_8 O 0.4081(3) 0.60431(16) 0.3549(2)
O44_8 O 0.4281(3) 0.4953(3) 0.3500(3)
O45_8 O 0.4841(5) 0.5158(3) 0.38487(18)
C42_8 C 0.4622(3) 0.57995(19) 0.3383(3)
H42A_8 H 0.4886 0.5949 0.3442
H42B_8 H 0.4665 0.5833 0.3146
O46_8 O 0.5283(3) 0.4905(3) 0.3278(2)
C21_8 C 0.4318(3) 0.7594(3) 0.3015(2)
O22_8 O 0.4795(3) 0.7434(2) 0.29340(18)
C48_8 C 0.4953(12) 0.4863(8) 0.4378(3)
H48A_8 H 0.4982 0.4575 0.4522
H48B_8 H 0.4641 0.5121 0.4478
H48C_8 H 0.5281 0.4983 0.4339
C47_8 C 0.4882(10) 0.4726(5) 0.4061(3)
H47A_8 H 0.5194 0.4463 0.3959
H47B_8 H 0.4552 0.4604 0.4098
N71_9 N 0.4050(3) 0.8043(2) 0.29258(16)
H71_9 H 0.3702 0.8132 0.3014
O22_9 O 0.2095(3) 0.96844(19) 0.27984(18)
C21_9 C 0.2404(3) 0.9293(2) 0.2807(2)
N1_9 N 0.33591(16) 0.88425(13) 0.27635(10)
C2_9 C 0.29938(16) 0.92636(15) 0.26973(12)
C3_9 C 0.31780(19) 0.96396(13) 0.25099(13)
H3_9 H 0.2928 0.9927 0.2465
C4_9 C 0.3728(2) 0.95942(13) 0.23885(12)
C5_9 C 0.40936(17) 0.91730(12) 0.24544(9)
C6_9 C 0.39090(16) 0.87975(11) 0.26418(8)
C7_9 C 0.42745(18) 0.83763(13) 0.27076(12)
C8_9 C 0.48242(17) 0.83308(16) 0.25866(14)
H8_9 H 0.5074 0.8043 0.2632
C9_9 C 0.50087(16) 0.87066(19) 0.23996(14)
H9_9 H 0.5385 0.8676 0.2317
C10_9 C 0.46433(17) 0.91276(17) 0.23333(13)
H10_9 H 0.4769 0.9384 0.2205
O41_9 O 0.3926(3) 0.9937(2) 0.21893(18)
C42_9 C 0.3551(3) 1.0331(3) 0.2072(2)
H42A_9 H 0.3357 1.0571 0.2246
H42B_9 H 0.3284 1.0203 0.2000
P43_9 P 0.3944(2) 1.06150(18) 0.17381(15)
O46_9 O 0.3523(4) 1.1069(3) 0.1650(3)
O44_9 O 0.4254(5) 1.0289(3) 0.1471(2)
O45_9 O 0.4300(5) 1.0842(4) 0.1900(3)
C49_9 C 0.3701(9) 1.1431(7) 0.1409(6)
N72_10 N 0.2275(3) 0.8878(2) 0.29065(19)
H72_10 H 0.2523 0.8617 0.2937
C71_10 C 0.1714(3) 0.8854(2) 0.2965(3)
H71A_10 H 0.1624 0.8876 0.2752
H71B_10 H 0.1491 0.9152 0.3086
P43_10 P 0.16732(14) 0.58814(9) 0.36482(8)
O41_10 O 0.1772(3) 0.67234(19) 0.33926(17)
O46_10 O 0.1271(3) 0.5827(2) 0.34489(17)
C47_10 C 0.1984(5) 0.4951(3) 0.3834(3)
H47A_10 H 0.1637 0.4881 0.3831
H47B_10 H 0.1973 0.5029 0.4059
O44_10 O 0.1433(3) 0.6065(3) 0.39752(12)
O45_10 O 0.2076(3) 0.53613(16) 0.36198(17)
C42_10 C 0.2104(3) 0.6235(2) 0.3392(2)
H42A_10 H 0.2419 0.6229 0.3479
H42B_10 H 0.2233 0.6104 0.3169
N1_10 N 0.23627(18) 0.78590(12) 0.28897(12)
C2_10 C 0.26818(18) 0.73841(14) 0.28452(12)
C3_10 C 0.2493(2) 0.69952(11) 0.30113(14)
H3_10 H 0.2711 0.6670 0.2981
C4_10 C 0.1985(2) 0.70819(10) 0.32225(13)
C5_10 C 0.16652(17) 0.75568(11) 0.32674(10)
C6_10 C 0.18543(16) 0.79454(10) 0.31006(9)
C7_10 C 0.15354(19) 0.84204(11) 0.31450(13)
C8_10 C 0.10268(19) 0.85066(15) 0.33561(15)
H8_10 H 0.0808 0.8831 0.3386
C9_10 C 0.08380(19) 0.81179(18) 0.35231(15)
H9_10 H 0.0491 0.8177 0.3668
C10_10 C 0.11572(19) 0.76426(16) 0.34781(14)
H10_10 H 0.1028 0.7377 0.3591
O22_10 O 0.3532(3) 0.6902(2) 0.26570(17)
C21_10 C 0.3243(3) 0.7301(2) 0.2640(2)
C48_10 C 0.2439(6) 0.4517(3) 0.3717(4)
H48A_10 H 0.2390 0.4235 0.3861
H48B_10 H 0.2781 0.4592 0.3718
H48C_10 H 0.2442 0.4439 0.3496
C49_10 C 0.0728(3) 0.6139(4) 0.3497(3)
H49A_10 H 0.0712 0.6461 0.3581
H49B_10 H 0.0469 0.5984 0.3655
C50_10 C 0.0589(7) 0.6200(7) 0.3173(4)
H50A_10 H 0.0225 0.6410 0.3195
H50B_10 H 0.0605 0.5879 0.3093
H50C_10 H 0.0848 0.6352 0.3019
N71_11 N 0.3371(3) 0.7682(3) 0.24567(16)
H71_11 H 0.3115 0.7955 0.2477
N1_11 N 0.33864(15) 0.84952(15) 0.20791(12)
C2_11 C 0.33876(19) 0.89235(14) 0.18950(13)
C3_11 C 0.3862(2) 0.89883(14) 0.16847(12)
H3_11 H 0.3863 0.9281 0.1559
C4_11 C 0.43353(19) 0.86246(17) 0.16582(12)
C5_11 C 0.43344(15) 0.81958(14) 0.18423(9)
C6_11 C 0.38600(15) 0.81310(12) 0.20529(8)
C7_11 C 0.3859(2) 0.77028(14) 0.22369(11)
C8_11 C 0.4333(2) 0.73392(13) 0.22110(13)
H8_11 H 0.4332 0.7047 0.2337
C9_11 C 0.4807(2) 0.74040(16) 0.20004(15)
H9_11 H 0.5131 0.7155 0.1982
C10_11 C 0.48080(16) 0.78321(18) 0.18163(14)
H10_11 H 0.5132 0.7876 0.1673
C21_11 C 0.2868(3) 0.9274(2) 0.1896(2)
O22_11 O 0.2869(3) 0.9681(2) 0.17919(18)
O41_11 O 0.4803(3) 0.8672(3) 0.14504(17)
P43_11 P 0.5456(2) 0.89499(19) 0.09579(13)
O46_11 O 0.5434(4) 0.9401(3) 0.0716(2)
O44_11 O 0.5870(4) 0.8910(5) 0.1140(3)
C49_11 C 0.5919(7) 0.9491(9) 0.0492(5)
C42_11 C 0.4784(3) 0.9061(3) 0.1214(2)
H42A_11 H 0.4685 0.9384 0.1320
H42B_11 H 0.4520 0.9054 0.1088
O45_11 O 0.5527(5) 0.8501(3) 0.0747(2)
N72_12 N 0.2439(3) 0.9110(3) 0.2023(2)
H72_12 H 0.2475 0.8813 0.2109
P43_12 P -0.03106(19) 0.75400(16) 0.28597(14)
O41_12 O 0.0416(3) 0.8057(2) 0.2617(2)
O44_12 O -0.0369(4) 0.7037(2) 0.2910(3)
O46_12 O -0.0595(4) 0.7844(3) 0.2602(2)
C42_12 C 0.0387(2) 0.7559(3) 0.2707(3)
H42A_12 H 0.0589 0.7438 0.2875
H42B_12 H 0.0553 0.7346 0.2516
O45_12 O -0.0513(4) 0.7862(3) 0.31678(18)
O22_12 O 0.2368(4) 0.7111(2) 0.22440(17)
N1_12 N 0.18562(17) 0.83899(14) 0.21430(14)
C2_12 C 0.1847(2) 0.79020(13) 0.22130(14)
C3_12 C 0.1368(2) 0.77804(12) 0.23707(15)
H3_12 H 0.1362 0.7447 0.2418
C4_12 C 0.0896(2) 0.81459(16) 0.24589(16)
C5_12 C 0.09055(16) 0.86334(14) 0.23889(12)
C6_12 C 0.13854(17) 0.87557(12) 0.22309(11)
C7_12 C 0.1394(2) 0.92439(13) 0.21610(17)
C8_12 C 0.0923(2) 0.96097(12) 0.22490(19)
H8_12 H 0.0929 0.9943 0.2201
C9_12 C 0.0444(2) 0.94878(16) 0.2407(2)
H9_12 H 0.0122 0.9738 0.2467
C10_12 C 0.04346(17) 0.89996(18) 0.24773(18)
H10_12 H 0.0107 0.8916 0.2586
C21_12 C 0.2351(3) 0.7511(2) 0.2119(2)
C71_12 C 0.1903(3) 0.9411(3) 0.2025(3)
H71A_12 H 0.1905 0.9508 0.1796
H71B_12 H 0.1864 0.9715 0.2140
C47_12 C -0.0655(10) 0.8396(4) 0.3163(5)
C49_12 C -0.1104(5) 0.7770(6) 0.2564(5)
H49A_12 H -0.1269 0.8039 0.2430
H49B_12 H -0.1359 0.7769 0.2778
C50_12 C -0.0987(11) 0.7288(8) 0.2401(5)
H50A_12 H -0.1323 0.7230 0.2372
H50B_12 H -0.0827 0.7025 0.2536
H50C_12 H -0.0734 0.7293 0.2190
N71_13 N 0.2741(3) 0.7645(3) 0.18952(18)
H71_13 H 0.2678 0.7954 0.1831
N1_13 N 0.3388(2) 0.80450(15) 0.14118(13)
C2_13 C 0.3718(3) 0.82639(17) 0.11684(14)
C3_13 C 0.4232(3) 0.8000(2) 0.10201(14)
H3_13 H 0.4458 0.8150 0.0854
C4_13 C 0.4417(2) 0.7518(2) 0.11144(14)
C5_13 C 0.40867(19) 0.72992(16) 0.13575(12)
C6_13 C 0.35723(18) 0.75628(14) 0.15063(10)
C7_13 C 0.3243(2) 0.73441(18) 0.17501(13)
C8_13 C 0.3427(3) 0.68618(18) 0.18441(14)
H8_13 H 0.3201 0.6712 0.2010
C9_13 C 0.3941(3) 0.65981(15) 0.16953(16)
H9_13 H 0.4067 0.6268 0.1760
C10_13 C 0.4271(2) 0.68167(17) 0.14520(16)
H10_13 H 0.4623 0.6636 0.1350
O41_13 O 0.4910(3) 0.7242(4) 0.0976(3)
C42_13 C 0.5209(5) 0.7432(4) 0.0685(3)
H42A_13 H 0.5350 0.7703 0.0738
H42B_13 H 0.4972 0.7563 0.0536
O45_13 O 0.6151(5) 0.6829(6) 0.0727(3)
O44_13 O 0.5599(6) 0.6523(5) 0.0408(4)
P43_13 P 0.5760(3) 0.6945(3) 0.04923(18)
C21_13 C 0.3491(4) 0.8758(3) 0.1045(2)
O22_13 O 0.3790(4) 0.8987(3) 0.0882(2)
O46_13 O 0.6076(6) 0.7206(5) 0.0197(3)
N1_14 N 0.1870(3) 0.88525(17) 0.12574(17)
C2_14 C 0.1472(3) 0.85950(19) 0.13656(19)
C3_14 C 0.0940(3) 0.8846(3) 0.1487(2)
H3_14 H 0.0668 0.8670 0.1561
C4_14 C 0.0806(3) 0.9355(3) 0.1500(2)
C5_14 C 0.1204(3) 0.96120(19) 0.13922(17)
C6_14 C 0.1736(3) 0.93615(17) 0.12712(13)
C7_14 C 0.2134(3) 0.9619(2) 0.1163(2)
C8_14 C 0.2000(4) 1.0127(2) 0.1177(2)
H8_14 H 0.2272 1.0303 0.1103
C9_14 C 0.1468(4) 1.03782(17) 0.1297(3)
H9_14 H 0.1376 1.0726 0.1306
C10_14 C 0.1070(4) 1.01209(19) 0.1406(3)
H10_14 H 0.0707 1.0292 0.1489
C21_14 C 0.1632(4) 0.8054(3) 0.1416(3)
O22_14 O 0.1303(4) 0.7856(3) 0.1582(2)
O41_14 O 0.0287(4) 0.9615(5) 0.1567(4)
C71_14 C 0.2696(4) 0.9366(3) 0.0992(3)
H71A_14 H 0.2688 0.9276 0.0774
H71B_14 H 0.2922 0.9605 0.0962
O46_14 O -0.0867(9) 1.0149(7) 0.1980(4)
N72_14 N 0.2964(5) 0.8927(3) 0.1145(3)
H72_14 H 0.2776 0.8776 0.1303
P43_14 P -0.0810(4) 0.9761(4) 0.1720(3)
O44_14 O -0.1232(6) 0.9490(7) 0.1791(5)
O45_14 O -0.0769(8) 1.0062(6) 0.1394(3)
C42_14 C -0.0144(4) 0.9373(6) 0.1686(6)
H42A_14 H -0.0118 0.9229 0.1902
H42B_14 H -0.0094 0.9100 0.1540
P43_15 P 0.4631(3) 0.5263(2) 0.0722(2)
N71_15 N 0.2123(4) 0.7835(2) 0.1270(2)
H71_15 H 0.2320 0.8029 0.1160
C21_15 C 0.3822(4) 0.7761(4) 0.0401(3)
O22_15 O 0.4284(4) 0.7701(4) 0.0252(3)
N1_15 N 0.3105(3) 0.75409(17) 0.08490(14)
C2_15 C 0.3616(3) 0.7403(2) 0.06432(14)
C3_15 C 0.3914(2) 0.6921(3) 0.06456(15)
H3_15 H 0.4263 0.6826 0.0505
C4_15 C 0.3702(2) 0.6577(2) 0.08539(16)
C5_15 C 0.3191(2) 0.67154(15) 0.10597(13)
C6_15 C 0.2893(2) 0.71979(15) 0.10570(11)
C7_15 C 0.2383(2) 0.73358(18) 0.12632(14)
C8_15 C 0.2170(2) 0.6992(2) 0.14713(15)
H8_15 H 0.1821 0.7087 0.1612
C9_15 C 0.2469(3) 0.6510(2) 0.14738(16)
H9_15 H 0.2324 0.6275 0.1616
C10_15 C 0.2979(3) 0.63717(16) 0.12680(16)
H10_15 H 0.3183 0.6042 0.1270
O46_15 O 0.5217(4) 0.5082(5) 0.0504(4)
C42_15 C 0.4494(5) 0.5918(3) 0.0652(4)
H42A_15 H 0.4759 0.6060 0.0717
H42B_15 H 0.4505 0.5998 0.0420
O45_15 O 0.4269(6) 0.5080(6) 0.0542(4)
O41_15 O 0.3961(4) 0.6099(2) 0.0851(3)
O44_15 O 0.4566(7) 0.5123(6) 0.1063(2)
N1_16 N 0.2352(3) 0.8625(2) 0.0358(2)
C2_16 C 0.1802(3) 0.8665(3) 0.0470(2)
C3_16 C 0.1441(3) 0.9119(3) 0.0470(3)
H3_16 H 0.1065 0.9146 0.0545
C4_16 C 0.1632(3) 0.9533(3) 0.0359(3)
C5_16 C 0.2183(4) 0.9493(2) 0.0247(2)
C6_16 C 0.2543(3) 0.9039(2) 0.02462(16)
C7_16 C 0.3094(3) 0.8998(3) 0.0134(3)
C8_16 C 0.3285(4) 0.9412(4) 0.0022(3)
H8_16 H 0.3661 0.9384 -0.0054
C9_16 C 0.2925(5) 0.9866(3) 0.0023(3)
H9_16 H 0.3055 1.0149 -0.0054
C10_16 C 0.2374(5) 0.9906(2) 0.0135(3)
H10_16 H 0.2128 1.0217 0.0136
C21_16 C 0.1591(5) 0.8229(4) 0.0610(3)
O22_16 O 0.1130(4) 0.8278(3) 0.0758(2)
O41_16 O 0.1294(6) 0.9983(4) 0.0391(4)
N72_16 N 0.3400(5) 0.8174(3) 0.0398(3)
H72_16 H 0.3097 0.8225 0.0549
C71_16 C 0.3497(4) 0.8516(4) 0.0128(3)
H71A_16 H 0.3526 0.8348 -0.0074
H71B_16 H 0.3852 0.8585 0.0113
C49_16 C 0.0107(11) 1.1059(15) -0.0141(6)
C47_16 C 0.1033(12) 1.1137(14) 0.0415(7)
P43_16 P 0.0319(4) 1.0628(3) 0.0401(2)
O44_16 O -0.0254(5) 1.0660(6) 0.0529(4)
O46_16 O 0.0495(7) 1.0772(6) 0.0034(3)
O45_16 O 0.0564(7) 1.0952(6) 0.0577(4)
C42_16 C 0.0728(6) 1.0015(4) 0.0429(6)
H42A_16 H 0.0587 0.9872 0.0643
H42B_16 H 0.0689 0.9813 0.0261
O45_17 O 0.3228(4) 0.4224(3) 0.0430(3)
C47_17 C 0.3157(9) 0.3790(6) 0.0296(7)
N71_17 N 0.1970(5) 0.7785(3) 0.0542(2)
H71_17 H 0.2297 0.7793 0.0431
N1_17 N 0.2768(2) 0.70052(19) 0.03208(13)
C2_17 C 0.3196(2) 0.6609(2) 0.02088(14)
C3_17 C 0.3151(2) 0.6136(2) 0.03026(15)
H3_17 H 0.3443 0.5864 0.0226
C4_17 C 0.2678(3) 0.60581(16) 0.05088(14)
C5_17 C 0.2250(2) 0.64549(16) 0.06206(11)
C6_17 C 0.2295(2) 0.69289(16) 0.05268(10)
C7_17 C 0.1868(2) 0.73254(17) 0.06391(14)
C8_17 C 0.1395(2) 0.7248(2) 0.08449(15)
H8_17 H 0.1102 0.7520 0.0921
C9_17 C 0.1350(2) 0.6775(3) 0.09389(15)
H9_17 H 0.1027 0.6722 0.1080
C10_17 C 0.1777(3) 0.6378(2) 0.08267(14)
H10_17 H 0.1746 0.6054 0.0891
C49_17 C 0.3119(10) 0.4645(12) 0.1095(4)
O46_17 O 0.2690(5) 0.4605(4) 0.09476(16)
C42_17 C 0.3019(4) 0.5189(3) 0.0459(3)
H42A_17 H 0.3354 0.5147 0.0534
H42B_17 H 0.3104 0.5234 0.0221
P43_17 P 0.2741(2) 0.46626(16) 0.05731(14)
O41_17 O 0.2621(4) 0.5606(2) 0.0611(2)
O44_17 O 0.2245(4) 0.4683(4) 0.0476(3)
C21_17 C 0.3686(4) 0.6682(4) -0.0038(2)
O22_17 O 0.4096(4) 0.6364(4) -0.0075(2)
P43_18 P 0.2691(4) 1.0261(3) -0.0972(3)
O45_18 O 0.3035(7) 1.0141(7) -0.1325(3)
N72_18 N 0.3600(5) 0.7117(5) -0.0176(2)
H72_18 H 0.3295 0.7338 -0.0111
O41_18 O 0.3056(6) 0.9296(4) -0.0880(4)
C42_18 C 0.2568(7) 0.9682(4) -0.0802(5)
H42A_18 H 0.2436 0.9708 -0.0564
H42B_18 H 0.2287 0.9600 -0.0889
N1_18 N 0.3045(3) 0.7930(3) -0.0454(2)
C2_18 C 0.2562(3) 0.8276(3) -0.0443(2)
C3_18 C 0.2565(4) 0.8736(3) -0.0584(3)
H3_18 H 0.2235 0.8973 -0.0576
C4_18 C 0.3051(4) 0.8851(3) -0.0736(3)
C5_18 C 0.3534(4) 0.8505(3) -0.0748(2)
C6_18 C 0.3531(3) 0.8045(2) -0.06068(17)
C7_18 C 0.4014(3) 0.7699(3) -0.0618(3)
C8_18 C 0.4500(3) 0.7814(4) -0.0770(3)
H8_18 H 0.4830 0.7577 -0.0778
C9_18 C 0.4503(4) 0.8274(4) -0.0912(3)
H9_18 H 0.4836 0.8353 -0.1016
C10_18 C 0.4021(4) 0.8620(4) -0.0900(3)
H10_18 H 0.4023 0.8935 -0.0997
C71_18 C 0.4031(5) 0.7219(4) -0.0440(3)
H71A_18 H 0.4099 0.6969 -0.0606
H71B_18 H 0.4357 0.7149 -0.0353
O44_18 O 0.2930(8) 1.0495(7) -0.0771(4)
O22_18 O 0.1656(5) 0.8490(4) -0.0226(3)
C21_18 C 0.2038(4) 0.8148(5) -0.0292(3)
O46_18 O 0.2127(5) 1.0566(6) -0.1013(5)
C42_19 C 0.1239(3) 0.5461(3) 0.0307(2)
H42A_19 H 0.1577 0.5355 0.0381
H42B_19 H 0.1293 0.5303 0.0098
P43_19 P 0.0691(2) 0.52975(16) 0.06039(11)
O46_19 O 0.0219(3) 0.5397(4) 0.0425(2)
O45_19 O 0.0854(4) 0.4722(2) 0.0629(2)
O44_19 O 0.0551(5) 0.5557(4) 0.09076(17)
C21_19 C 0.2907(4) 0.5938(3) -0.0403(3)
O22_19 O 0.3078(5) 0.5508(3) -0.0364(2)
N1_19 N 0.2243(2) 0.6719(2) -0.02157(13)
C2_19 C 0.2377(3) 0.6210(2) -0.02027(14)
C3_19 C 0.1993(3) 0.59590(17) -0.00414(16)
H3_19 H 0.2085 0.5611 -0.0033
C4_19 C 0.1476(3) 0.6217(2) 0.01068(16)
C5_19 C 0.1342(2) 0.6727(2) 0.00938(12)
C6_19 C 0.1726(2) 0.69773(17) -0.00675(10)
C7_19 C 0.1592(3) 0.74865(17) -0.00805(15)
C8_19 C 0.1075(3) 0.7745(2) 0.00677(17)
H8_19 H 0.0983 0.8093 0.0059
C9_19 C 0.0691(3) 0.7494(3) 0.02290(17)
H9_19 H 0.0338 0.7671 0.0330
C10_19 C 0.0825(2) 0.6985(3) 0.02420(16)
H10_19 H 0.0563 0.6814 0.0352
O41_19 O 0.1093(3) 0.5988(3) 0.02718(19)
N71_19 N 0.2046(4) 0.7669(4) -0.0224(2)
H71_19 H 0.2360 0.7456 -0.0273
C49_19 C -0.0309(4) 0.5327(7) 0.0603(3)
H49A_19 H -0.0568 0.5648 0.0655
H49B_19 H -0.0281 0.5146 0.0809
C50_19 C -0.0499(8) 0.5041(8) 0.0393(5)
H50A_19 H -0.0856 0.4993 0.0506
H50B_19 H -0.0244 0.4721 0.0347
H50C_19 H -0.0522 0.5221 0.0190
C47_19 C 0.0902(10) 0.4474(4) 0.0937(3)
H47A_19 H 0.0553 0.4564 0.1100
H47B_19 H 0.1177 0.4576 0.1019
C48_19 C 0.1061(11) 0.3934(4) 0.0886(5)
H48A_19 H 0.1093 0.3763 0.1091
H48B_19 H 0.1408 0.3848 0.0727
H48C_19 H 0.0787 0.3835 0.0805
O22_20 O 0.2248(6) 0.8096(4) -0.1134(3)
N1_20 N 0.3249(3) 0.6985(3) -0.1077(2)
C2_20 C 0.3042(3) 0.7448(3) -0.1196(2)
C3_20 C 0.3390(4) 0.7718(3) -0.1379(3)
H3_20 H 0.3249 0.8033 -0.1461
C4_20 C 0.3944(4) 0.7526(3) -0.1444(3)
C5_20 C 0.4150(3) 0.7064(3) -0.13254(19)
C6_20 C 0.3803(3) 0.6794(2) -0.11420(16)
C7_20 C 0.4010(3) 0.6332(3) -0.1024(2)
C8_20 C 0.4564(4) 0.6140(3) -0.1089(3)
H8_20 H 0.4705 0.5824 -0.1008
C9_20 C 0.4911(3) 0.6410(4) -0.1272(3)
H9_20 H 0.5289 0.6279 -0.1315
C10_20 C 0.4705(3) 0.6872(4) -0.1390(3)
H10_20 H 0.4942 0.7057 -0.1516
C71_20 C 0.3639(4) 0.6016(4) -0.0856(3)
H71A_20 H 0.3507 0.5888 -0.1022
H71B_20 H 0.3852 0.5732 -0.0757
O45_20 O 0.4978(9) 0.8698(6) -0.2236(5)
O44_20 O 0.5410(8) 0.8152(9) -0.1821(5)
O46_20 O 0.5252(9) 0.7811(8) -0.2317(5)
C21_20 C 0.2450(5) 0.7669(4) -0.1102(4)
O41_20 O 0.4331(6) 0.7742(6) -0.1622(4)
C42_20 C 0.4383(6) 0.8150(7) -0.1842(5)
H42A_20 H 0.4193 0.8455 -0.1720
H42B_20 H 0.4193 0.8133 -0.2011
P43_20 P 0.5057(5) 0.8203(5) -0.2041(3)
N72_20 N 0.3172(5) 0.6246(4) -0.0604(3)
H72_20 H 0.3067 0.6567 -0.0583
C21_21 C 0.1840(5) 0.5693(3) -0.0774(3)
O41_21 O 0.0085(3) 0.6786(4) -0.0340(2)
N1_21 N 0.1699(3) 0.6600(2) -0.07906(15)
C2_21 C 0.1493(3) 0.6192(2) -0.06880(17)
C3_21 C 0.0948(4) 0.6251(3) -0.05393(18)
H3_21 H 0.0807 0.5972 -0.0469
C4_21 C 0.0611(3) 0.6718(3) -0.04933(17)
C5_21 C 0.0818(3) 0.7127(2) -0.05960(13)
C6_21 C 0.1362(3) 0.7067(2) -0.07447(11)
C7_21 C 0.1568(3) 0.7476(2) -0.08474(16)
C8_21 C 0.1231(4) 0.7943(2) -0.08013(19)
H8_21 H 0.1372 0.8222 -0.0871
C9_21 C 0.0687(4) 0.8003(2) -0.0653(2)
H9_21 H 0.0456 0.8322 -0.0621
C10_21 C 0.0480(3) 0.7594(3) -0.05504(19)
H10_21 H 0.0108 0.7635 -0.0449
O22_21 O 0.1685(5) 0.5346(4) -0.0641(3)
C42_21 C -0.0170(3) 0.6384(5) -0.0274(4)
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O45_21 O -0.1095(5) 0.6139(4) -0.0009(3)
O46_21 O -0.1123(6) 0.6845(5) -0.0396(3)
C47_21 C -0.1643(6) 0.6115(8) -0.0005(5)
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H47B_21 H -0.1900 0.6427 0.0074
C48_21 C -0.1772(11) 0.5700(11) 0.0218(8)
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H48B_21 H -0.1777 0.5774 0.0439
H48C_21 H -0.1498 0.5398 0.0148
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H71_21 H 0.2293 0.7051 -0.0954
P43_22 P 0.5286(5) 0.6383(5) -0.2372(3)
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C2_22 C 0.2968(4) 0.6539(3) -0.1747(2)
C3_22 C 0.3493(4) 0.6557(3) -0.1903(2)
H3_22 H 0.3559 0.6839 -0.2027
C4_22 C 0.3920(3) 0.6164(4) -0.1878(2)
C5_22 C 0.3822(3) 0.5751(3) -0.16962(17)
C6_22 C 0.3298(3) 0.5732(2) -0.15398(15)
C7_22 C 0.3201(4) 0.5320(3) -0.1358(2)
C8_22 C 0.3628(4) 0.4926(3) -0.1332(2)
H8_22 H 0.3562 0.4644 -0.1208
C9_22 C 0.4152(4) 0.4945(3) -0.1489(3)
H9_22 H 0.4444 0.4676 -0.1471
C10_22 C 0.4250(3) 0.5357(4) -0.1671(3)
H10_22 H 0.4608 0.5370 -0.1778
C21_22 C 0.2510(5) 0.6975(4) -0.1746(4)
O41_22 O 0.4435(4) 0.6180(6) -0.2019(3)
C71_22 C 0.2637(4) 0.5304(4) -0.1178(3)
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H71B_22 H 0.2665 0.5015 -0.1031
O45_22 O 0.5301(9) 0.5965(7) -0.2600(5)
O44_22 O 0.5546(8) 0.6764(7) -0.2540(6)
O46_22 O 0.5544(9) 0.6102(9) -0.2098(5)
C42_22 C 0.4582(6) 0.6608(6) -0.2184(5)
H42A_22 H 0.4525 0.6872 -0.2030
H42B_22 H 0.4373 0.6732 -0.2349
N72_22 N 0.2280(5) 0.5720(4) -0.0986(3)
H72_22 H 0.2369 0.6004 -0.1016
O2_22 O 0.2630(5) 0.7347(4) -0.1884(3)
O22_23 O 0.0364(4) 0.5724(3) -0.1040(2)
C21_23 C 0.0725(4) 0.5868(3) -0.1217(3)
O41_23 O -0.0374(3) 0.7547(3) -0.1218(3)
P43_23 P -0.1429(3) 0.7830(3) -0.11638(19)
C42_23 C -0.0845(4) 0.7351(4) -0.1137(4)
H42A_23 H -0.0892 0.7212 -0.0914
H42B_23 H -0.0800 0.7086 -0.1288
N71_23 N 0.2024(4) 0.6892(3) -0.1617(3)
H71_23 H 0.2006 0.6595 -0.1544
C47_23 C -0.2026(11) 0.7289(9) -0.1297(5)
H47A_23 H -0.1705 0.7193 -0.1479
H47B_23 H -0.2326 0.7488 -0.1386
C48_23 C -0.2178(11) 0.6842(7) -0.1127(8)
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H48C_23 H -0.1879 0.6648 -0.1040
O46_23 O -0.1514(7) 0.8175(5) -0.0874(3)
O45_23 O -0.1910(4) 0.7573(5) -0.1062(3)
O44_23 O -0.1386(6) 0.8070(5) -0.1482(2)
N1_23 N 0.1129(3) 0.65826(15) -0.13869(14)
C2_23 C 0.0670(3) 0.64107(17) -0.12543(14)
C3_23 C 0.0165(3) 0.6735(2) -0.11927(16)
H3_23 H -0.0149 0.6617 -0.1102
C4_23 C 0.0119(2) 0.7231(2) -0.12632(17)
C5_23 C 0.0578(3) 0.74032(15) -0.13955(12)
C6_23 C 0.1083(2) 0.70787(16) -0.14576(10)
C7_23 C 0.1542(3) 0.7251(2) -0.15895(15)
C8_23 C 0.1496(4) 0.7747(2) -0.16602(16)
H8_23 H 0.1809 0.7865 -0.1751
C9_23 C 0.0991(4) 0.80715(18) -0.15984(17)
H9_23 H 0.0959 0.8411 -0.1647
C10_23 C 0.0532(3) 0.78993(15) -0.14664(17)
H10_23 H 0.0186 0.8121 -0.1425
P43_24 P 0.46684(17) 0.41151(13) -0.23692(11)
O41_24 O 0.3622(3) 0.4444(3) -0.2175(2)
O46_24 O 0.5152(3) 0.4334(3) -0.2550(2)
C42_24 C 0.4087(3) 0.4623(3) -0.2340(3)
H42A_24 H 0.4121 0.4893 -0.2217
H42B_24 H 0.4053 0.4748 -0.2559
O45_24 O 0.4614(4) 0.3766(3) -0.26234(18)
C47_24 C 0.4326(7) 0.3383(5) -0.2513(3)
H47A_24 H 0.4120 0.3438 -0.2285
H47B_24 H 0.4584 0.3058 -0.2527
C49_24 C 0.5093(9) 0.4815(4) -0.2707(4)
O44_24 O 0.4704(4) 0.3877(3) -0.20560(16)
C48_24 C 0.3951(8) 0.3401(7) -0.2728(5)
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H48B_24 H 0.4159 0.3346 -0.2953
H48C_24 H 0.3697 0.3723 -0.2712
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C2_24 C 0.2511(2) 0.55288(16) -0.21505(14)
C3_24 C 0.3022(2) 0.5217(2) -0.22385(15)
H3_24 H 0.3300 0.5322 -0.2394
C4_24 C 0.3125(2) 0.4752(2) -0.20989(17)
C5_24 C 0.2717(2) 0.45988(14) -0.18711(14)
C6_24 C 0.22064(19) 0.49106(13) -0.17829(12)
C7_24 C 0.1799(2) 0.47575(19) -0.15549(16)
C8_24 C 0.1902(3) 0.4292(2) -0.14158(17)
H8_24 H 0.1623 0.4187 -0.1261
C9_24 C 0.2412(3) 0.39805(18) -0.15036(19)
H9_24 H 0.2483 0.3663 -0.1408
C10_24 C 0.2820(3) 0.41335(16) -0.17318(19)
H10_24 H 0.3168 0.3920 -0.1792
C21_24 C 0.2416(4) 0.6038(3) -0.2276(2)
O22_24 O 0.2804(3) 0.6181(3) -0.2421(2)
C71_24 C 0.1249(3) 0.5090(2) -0.1449(3)
H71A_24 H 0.1056 0.5080 -0.1618
H71B_24 H 0.1059 0.4941 -0.1250
N72_24 N 0.1176(5) 0.5604(3) -0.1380(2)
H72_24 H 0.1450 0.5741 -0.1452
C21_25 C -0.0076(3) 0.6396(3) -0.1881(2)
O22_25 O -0.0544(3) 0.6529(3) -0.17547(19)
O41_25 O 0.0100(3) 0.80527(19) -0.2235(2)
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C2_25 C 0.0249(2) 0.67662(17) -0.19802(13)
C3_25 C 0.00056(18) 0.72522(18) -0.20356(14)
H3_25 H -0.0376 0.7364 -0.1976
C4_25 C 0.0321(2) 0.75752(14) -0.21789(14)
C5_25 C 0.0879(2) 0.74119(11) -0.22661(10)
C6_25 C 0.11220(18) 0.69258(11) -0.22101(9)
C7_25 C 0.16796(18) 0.67626(15) -0.22975(13)
C8_25 C 0.19946(19) 0.70851(19) -0.24406(14)
H8_25 H 0.2376 0.6973 -0.2501
C9_25 C 0.1752(2) 0.75714(18) -0.24959(15)
H9_25 H 0.1967 0.7792 -0.2593
C10_25 C 0.1194(2) 0.77346(13) -0.24089(14)
H10_25 H 0.1028 0.8067 -0.2447
N71_25 N 0.1876(4) 0.6271(2) -0.2213(2)
H71_25 H 0.1641 0.6103 -0.2114
O46_25 O -0.1238(3) 0.8993(5) -0.2252(3)
P43_25 P -0.0609(2) 0.88553(13) -0.22964(12)
O44_25 O -0.0427(5) 0.9148(4) -0.2094(2)
C42_25 C -0.0475(4) 0.8216(2) -0.2180(3)
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P43_26 P 0.2506(3) 0.28938(17) -0.21653(17)
O22_26 O 0.2273(3) 0.5179(2) -0.28188(18)
C42_26 C 0.2339(4) 0.3524(3) -0.2300(3)
H42A_26 H 0.2543 0.3718 -0.2219
H42B_26 H 0.2428 0.3544 -0.2539
O41_26 O 0.1771(3) 0.37074(19) -0.2172(2)
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C2_26 C 0.1513(2) 0.49629(16) -0.24969(12)
C3_26 C 0.17829(19) 0.44801(17) -0.24549(13)
H3_26 H 0.2137 0.4356 -0.2582
C4_26 C 0.1534(2) 0.41794(13) -0.22261(14)
C5_26 C 0.10156(19) 0.43609(11) -0.20397(11)
C6_26 C 0.07453(17) 0.48435(12) -0.20819(10)
C7_26 C 0.02269(18) 0.50254(16) -0.18959(13)
C8_26 C -0.0022(2) 0.4724(2) -0.16676(14)
H8_26 H -0.0376 0.4848 -0.1540
C9_26 C 0.0248(2) 0.4242(2) -0.16251(14)
H9_26 H 0.0078 0.4037 -0.1469
C10_26 C 0.0767(2) 0.40604(15) -0.18119(14)
H10_26 H 0.0951 0.3730 -0.1784
C21_26 C 0.1795(3) 0.5301(3) -0.2713(2)
N72_26 N 0.0213(4) 0.5925(3) -0.1947(2)
H72_26 H 0.0567 0.5853 -0.1987
C71_26 C -0.0069(3) 0.5542(2) -0.1949(3)
H71A_26 H -0.0164 0.5558 -0.2161
H71B_26 H -0.0411 0.5616 -0.1780
C49_26 C 0.3462(6) 0.2281(6) -0.2197(7)
C47_26 C 0.1912(7) 0.2760(8) -0.1581(4)
H47A_26 H 0.1574 0.2962 -0.1629
H47B_26 H 0.1896 0.2799 -0.1350
C48_26 C 0.1974(15) 0.2233(9) -0.1650(6)
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H48B_26 H 0.2309 0.2036 -0.1602
H48C_26 H 0.1987 0.2199 -0.1880
O44_26 O 0.2242(5) 0.2577(4) -0.2287(3)
O45_26 O 0.2375(5) 0.2917(4) -0.17863(18)
O46_26 O 0.3138(3) 0.2762(4) -0.2262(3)
C21_27 C -0.0286(3) 0.6960(3) -0.2706(2)
N1_27 N 0.06879(17) 0.65655(14) -0.28065(11)
C2_27 C 0.02843(16) 0.69870(16) -0.28171(12)
C3_27 C 0.04174(18) 0.74129(14) -0.29615(14)
H3_27 H 0.0142 0.7701 -0.2969
C4_27 C 0.09539(19) 0.74169(12) -0.30950(13)
C5_27 C 0.13573(17) 0.69951(11) -0.30843(9)
C6_27 C 0.12243(16) 0.65692(11) -0.29401(8)
C7_27 C 0.16278(18) 0.61475(12) -0.29288(13)
C8_27 C 0.21640(17) 0.61517(16) -0.30626(14)
H8_27 H 0.2440 0.5863 -0.3055
C9_27 C 0.22971(16) 0.65774(19) -0.32068(14)
H9_27 H 0.2664 0.6580 -0.3298
C10_27 C 0.18936(18) 0.69992(16) -0.32175(13)
H10_27 H 0.1984 0.7290 -0.3316
O22_27 O -0.0631(3) 0.7333(2) -0.26784(19)
O41_27 O 0.1107(3) 0.78245(19) -0.32355(18)
C42_27 C 0.0700(3) 0.8271(2) -0.3240(3)
H42A_27 H 0.0471 0.8346 -0.3018
H42B_27 H 0.0467 0.8236 -0.3382
P43_27 P 0.10337(19) 0.87540(13) -0.33893(13)
O45_27 O 0.1479(3) 0.8546(3) -0.36969(18)
O44_27 O 0.0654(3) 0.9205(2) -0.3458(3)
N71_27 N 0.1465(4) 0.5750(2) -0.27530(18)
H71_27 H 0.1120 0.5792 -0.2659
C49_27 C 0.1052(6) 0.8972(9) -0.2803(3)
H49A_27 H 0.0778 0.8783 -0.2713
H49B_27 H 0.0867 0.9324 -0.2804
C50_27 C 0.1453(10) 0.8888(7) -0.2599(4)
H50A_27 H 0.1269 0.9000 -0.2378
H50B_27 H 0.1728 0.9071 -0.2692
H50C_27 H 0.1626 0.8538 -0.2593
C47_27 C 0.1909(5) 0.8791(6) -0.3849(4)
H47A_27 H 0.1938 0.9026 -0.3697
H47B_27 H 0.1834 0.8971 -0.4046
C48_27 C 0.2422(5) 0.8398(10) -0.3933(8)
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H48B_27 H 0.2389 0.8170 -0.4084
H48C_27 H 0.2490 0.8221 -0.3735
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O22_28 O 0.0999(3) 0.4599(2) -0.30905(18)
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O45_28 O -0.0861(4) 0.3721(3) -0.16909(15)
C42_28 C -0.0296(3) 0.3815(3) -0.2302(2)
H42A_28 H 0.0011 0.3870 -0.2228
H42B_28 H -0.0158 0.3659 -0.2517
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C47_28 C -0.1383(4) 0.4073(5) -0.1615(4)
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H47B_28 H -0.1478 0.4220 -0.1817
C48_28 C -0.1341(6) 0.4463(4) -0.1408(4)
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H48B_28 H -0.1059 0.4623 -0.1527
H48C_28 H -0.1251 0.4314 -0.1208
C49_28 C -0.0301(6) 0.2630(5) -0.1706(4)
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H49B_28 H -0.0427 0.2776 -0.1488
N1_28 N -0.02094(19) 0.54845(14) -0.27791(12)
C2_28 C 0.01389(19) 0.50234(16) -0.28386(13)
C3_28 C -0.0022(2) 0.46108(14) -0.26917(14)
H3_28 H 0.0216 0.4296 -0.2732
C4_28 C -0.0531(2) 0.46586(13) -0.24852(15)
C5_28 C -0.0879(2) 0.51195(15) -0.24257(11)
C6_28 C -0.07181(18) 0.55324(13) -0.25727(10)
C7_28 C -0.1067(2) 0.59936(14) -0.25132(14)
C8_28 C -0.1576(2) 0.60413(19) -0.23065(16)
H8_28 H -0.1814 0.6356 -0.2266
C9_28 C -0.1737(2) 0.5628(2) -0.21597(16)
H9_28 H -0.2085 0.5661 -0.2019
C10_28 C -0.1388(2) 0.5167(2) -0.22195(15)
H10_28 H -0.1498 0.4885 -0.2119
C21_28 C 0.0673(3) 0.4986(3) -0.3071(2)
C71_28 C -0.0890(3) 0.6443(3) -0.2658(3)
H71A_28 H -0.0930 0.6473 -0.2883
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N72_28 N -0.0353(3) 0.6500(3) -0.2668(2)
H72_28 H -0.0087 0.6247 -0.2650
C50_28 C 0.0198(9) 0.2228(7) -0.1723(7)
H50A_28 H 0.0119 0.1973 -0.1562
H50B_28 H 0.0481 0.2362 -0.1677
H50C_28 H 0.0322 0.2088 -0.1940
C21_29 C 0.0046(3) 0.7079(2) -0.3595(2)
O41_29 O 0.2003(2) 0.67080(19) -0.40505(15)
O22_29 O 0.0004(3) 0.75038(18) -0.36712(18)
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C2_29 C 0.06018(16) 0.67639(12) -0.36179(12)
C3_29 C 0.10498(19) 0.69121(11) -0.38058(12)
H3_29 H 0.1014 0.7239 -0.3886
C4_29 C 0.15502(17) 0.65811(13) -0.38759(12)
C5_29 C 0.16025(14) 0.61019(11) -0.37591(9)
C6_29 C 0.11550(14) 0.59541(11) -0.35712(8)
C7_29 C 0.12077(18) 0.54747(12) -0.34541(12)
C8_29 C 0.1708(2) 0.51435(11) -0.35247(13)
H8_29 H 0.1744 0.4816 -0.3445
C9_29 C 0.21556(17) 0.52913(14) -0.37122(14)
H9_29 H 0.2497 0.5065 -0.3760
C10_29 C 0.21032(14) 0.57709(15) -0.38293(13)
H10_29 H 0.2409 0.5872 -0.3957
C42_29 C 0.1970(2) 0.7209(2) -0.4149(2)
H42A_29 H 0.1880 0.7416 -0.3956
H42B_29 H 0.1681 0.7322 -0.4267
N71_29 N 0.0740(3) 0.5391(3) -0.32380(16)
H71_29 H 0.0455 0.5638 -0.3210
P43_29 P 0.26036(15) 0.72656(11) -0.44083(9)
O44_29 O 0.2628(3) 0.77767(18) -0.4464(2)
O46_29 O 0.3055(3) 0.6922(3) -0.4263(2)
O45_29 O 0.2669(3) 0.6973(2) -0.47228(14)
C47_29 C 0.2656(5) 0.7222(5) -0.50346(19)
H47A_29 H 0.2903 0.7012 -0.5213
H47B_29 H 0.2772 0.7532 -0.5041
C48_29 C 0.2092(6) 0.7327(7) -0.5072(4)
H48A_29 H 0.2072 0.7497 -0.5279
H48B_29 H 0.1851 0.7535 -0.4894
H48C_29 H 0.1983 0.7019 -0.5066
C49_29 C 0.3157(6) 0.6992(5) -0.3954(3)
H49A_29 H 0.2815 0.7050 -0.3784
H49B_29 H 0.3312 0.7279 -0.3966
C50_29 C 0.3544(7) 0.6538(5) -0.3873(4)
H50A_29 H 0.3622 0.6580 -0.3666
H50B_29 H 0.3878 0.6480 -0.4044
H50C_29 H 0.3383 0.6256 -0.3857
O22_30 O -0.0183(3) 0.48127(18) -0.35501(17)
C21_30 C -0.0273(3) 0.52375(19) -0.3628(2)
N1_30 N -0.08368(16) 0.60731(13) -0.35118(12)
C2_30 C -0.07933(19) 0.55711(12) -0.34773(13)
C3_30 C -0.1220(2) 0.53956(11) -0.32867(14)
H3_30 H -0.1190 0.5053 -0.3263
C4_30 C -0.1689(2) 0.57214(13) -0.31305(14)
C5_30 C -0.17323(16) 0.62234(13) -0.31645(10)
C6_30 C -0.13061(15) 0.63992(11) -0.33553(10)
C7_30 C -0.1349(2) 0.69008(11) -0.33896(14)
C8_30 C -0.1818(2) 0.72269(11) -0.32330(16)
H8_30 H -0.1847 0.7570 -0.3256
C9_30 C -0.2245(2) 0.70514(16) -0.30424(16)
H9_30 H -0.2566 0.7274 -0.2936
C10_30 C -0.22016(17) 0.65496(17) -0.30084(14)
H10_30 H -0.2493 0.6429 -0.2878
C71_30 C -0.0865(2) 0.7081(3) -0.3567(2)
H71A_30 H -0.0831 0.7050 -0.3802
H71B_30 H -0.0945 0.7435 -0.3524
N72_30 N -0.0337(3) 0.6859(2) -0.35057(19)
H72_30 H -0.0282 0.6572 -0.3407
P43_30 P -0.26981(18) 0.49852(14) -0.26089(13)
O41_30 O -0.2108(3) 0.5568(2) -0.29338(19)
C42_30 C -0.2073(3) 0.5053(2) -0.2878(3)
H42A_30 H -0.1768 0.4904 -0.2779
H42B_30 H -0.2013 0.4888 -0.3086
O46_30 O -0.3147(3) 0.5258(3) -0.2786(2)
O45_30 O -0.2679(4) 0.44328(19) -0.2643(2)
O44_30 O -0.2776(4) 0.5152(4) -0.22816(17)
C47_30 C -0.2550(5) 0.4066(4) -0.2396(3)
H47A_30 H -0.2742 0.3803 -0.2390
H47B_30 H -0.2664 0.4218 -0.2180
C48_30 C -0.1952(5) 0.3856(6) -0.2483(4)
H48A_30 H -0.1855 0.3609 -0.2319
H48B_30 H -0.1767 0.4118 -0.2489
H48C_30 H -0.1845 0.3703 -0.2696
C49_30 C -0.3548(6) 0.5698(5) -0.2648(4)
H49A_30 H -0.3488 0.5777 -0.2440
H49B_30 H -0.3916 0.5644 -0.2607
C50_30 C -0.3490(8) 0.6110(5) -0.2887(7)
H50A_30 H -0.3749 0.6412 -0.2798
H50B_30 H -0.3561 0.6033 -0.3090
H50C_30 H -0.3123 0.6156 -0.2929
O22_31 O 0.0944(3) 0.71277(19) -0.46037(16)
C21_31 C 0.0679(3) 0.6841(2) -0.4485(2)
N71_31 N 0.0081(2) 0.5451(2) -0.38480(16)
H71_31 H -0.0029 0.5767 -0.3885
N1_31 N 0.06618(15) 0.60256(10) -0.42342(11)
C2_31 C 0.09625(19) 0.63356(10) -0.44164(11)
C3_31 C 0.15023(19) 0.61512(13) -0.45667(12)
H3_31 H 0.1708 0.6363 -0.4691
C4_31 C 0.17411(15) 0.56569(14) -0.45349(12)
C5_31 C 0.14404(13) 0.53471(10) -0.43526(8)
C6_31 C 0.09006(13) 0.55314(10) -0.42023(8)
C7_31 C 0.05997(16) 0.52213(13) -0.40200(11)
C8_31 C 0.0839(2) 0.47275(13) -0.39880(12)
H8_31 H 0.0633 0.4516 -0.3863
C9_31 C 0.1379(2) 0.45430(10) -0.41382(13)
H9_31 H 0.1542 0.4205 -0.4116
C10_31 C 0.16794(16) 0.48528(11) -0.43206(12)
H10_31 H 0.2048 0.4727 -0.4423
P43_31 P 0.32530(15) 0.54555(12) -0.50243(10)
O45_31 O 0.3199(4) 0.5107(3) -0.52743(18)
O44_31 O 0.3461(4) 0.5164(3) -0.4756(2)
O46_31 O 0.3600(3) 0.5819(3) -0.51815(19)
C49_31 C 0.3588(5) 0.6199(4) -0.4957(3)
H49A_31 H 0.3456 0.6088 -0.4732
H49B_31 H 0.3325 0.6502 -0.4997
C50_31 C 0.4112(5) 0.6320(5) -0.4984(3)
H50A_31 H 0.4053 0.6624 -0.4869
H50B_31 H 0.4285 0.6361 -0.5213
H50C_31 H 0.4345 0.6053 -0.4888
O41_31 O 0.2269(2) 0.54751(19) -0.46744(15)
C42_31 C 0.2579(2) 0.5807(2) -0.4856(2)
H42A_31 H 0.2588 0.6062 -0.4712
H42B_31 H 0.2413 0.5970 -0.5032
C47_31 C 0.3204(10) 0.5242(7) -0.5611(2)
C21_32 C -0.1016(3) 0.5907(2) -0.4379(2)
N1_32 N -0.08964(17) 0.67487(12) -0.44005(12)
C2_32 C -0.1248(2) 0.64398(12) -0.43272(13)
C3_32 C -0.1778(2) 0.66170(16) -0.41573(15)
H3_32 H -0.2018 0.6406 -0.4108
C4_32 C -0.19580(16) 0.71023(17) -0.40593(14)
C5_32 C -0.16066(16) 0.74107(12) -0.41325(10)
C6_32 C -0.10762(15) 0.72338(11) -0.43028(9)
C7_32 C -0.07244(18) 0.75425(15) -0.43756(13)
C8_32 C -0.0904(2) 0.80280(14) -0.42783(15)
H8_32 H -0.0665 0.8239 -0.4328
C9_32 C -0.1435(3) 0.82046(12) -0.41078(15)
H9_32 H -0.1558 0.8536 -0.4041
C10_32 C -0.1786(2) 0.78960(14) -0.40352(14)
H10_32 H -0.2149 0.8017 -0.3919
O22_32 O -0.1321(3) 0.5646(3) -0.42813(19)
N72_32 N 0.0141(3) 0.6923(2) -0.4438(2)
H72_32 H -0.0029 0.6713 -0.4324
C71_32 C -0.0162(2) 0.7359(2) -0.4576(2)
H71A_32 H -0.0179 0.7282 -0.4796
H71B_32 H 0.0033 0.7622 -0.4600
O41_32 O -0.2478(2) 0.7294(3) -0.3906(2)
O45_32 O -0.3562(4) 0.7790(4) -0.3985(2)
P43_32 P -0.3543(2) 0.7378(2) -0.37160(15)
O46_32 O -0.3565(5) 0.7662(4) -0.3410(2)
O44_32 O -0.3954(4) 0.7099(4) -0.3681(3)
C42_32 C -0.2868(2) 0.7000(3) -0.3830(4)
H42A_32 H -0.2798 0.6770 -0.3650
H42B_32 H -0.2832 0.6804 -0.4021
C47_32 C -0.4054(6) 0.8065(5) -0.4071(4)
H47A_32 H -0.4336 0.7879 -0.4005
H47B_32 H -0.3985 0.8119 -0.4309
C48_32 C -0.4239(7) 0.8548(5) -0.3904(7)
H48A_32 H -0.4570 0.8736 -0.3961
H48B_32 H -0.3959 0.8731 -0.3972
H48C_32 H -0.4310 0.8492 -0.3669
C49_32 C -0.3346(9) 0.8098(6) -0.3443(4)
H49A_32 H -0.3349 0.8253 -0.3659
H49B_32 H -0.2970 0.8005 -0.3421
C50_32 C -0.3691(12) 0.8449(7) -0.3182(7)
H50A_32 H -0.3549 0.8742 -0.3198
H50B_32 H -0.3686 0.8292 -0.2969
H50C_32 H -0.4061 0.8542 -0.3208
N1_33 N 0.0524(2) 0.56433(11) -0.49039(12)
C2_33 C 0.1052(2) 0.55861(15) -0.50855(13)
C3_33 C 0.14013(19) 0.51236(18) -0.51214(13)
H3_33 H 0.1762 0.5085 -0.5246
C4_33 C 0.12231(19) 0.47180(14) -0.49748(13)
C5_33 C 0.06955(19) 0.47746(10) -0.47930(10)
C6_33 C 0.03458(17) 0.52371(10) -0.47573(9)
C7_33 C -0.01818(18) 0.52942(14) -0.45755(12)
C8_33 C -0.0360(2) 0.48883(17) -0.44297(13)
H8_33 H -0.0721 0.4927 -0.4306
C9_33 C -0.0010(2) 0.44256(15) -0.44650(13)
H9_33 H -0.0132 0.4148 -0.4365
C10_33 C 0.0518(2) 0.43693(10) -0.46468(13)
H10_33 H 0.0757 0.4053 -0.4671
N71_33 N -0.0490(3) 0.57791(19) -0.4528(2)
H71_33 H -0.0326 0.6016 -0.4600
C50_33 C 0.1447(11) 0.2734(10) -0.4918(6)
H50A_33 H 0.1192 0.2623 -0.4735
H50B_33 H 0.1724 0.2450 -0.5019
H50C_33 H 0.1254 0.2906 -0.5078
C49_33 C 0.1709(8) 0.3074(8) -0.4798(3)
H49A_33 H 0.1434 0.3363 -0.4695
H49B_33 H 0.1904 0.2905 -0.4635
C21_33 C 0.1239(3) 0.6021(3) -0.5243(2)
O22_33 O 0.1715(3) 0.5996(3) -0.53337(19)
O45_33 O 0.2947(3) 0.3443(3) -0.53218(19)
O46_33 O 0.2086(4) 0.3228(3) -0.5078(2)
C42_33 C 0.2101(3) 0.4185(2) -0.5162(2)
H42A_33 H 0.2258 0.4440 -0.5104
H42B_33 H 0.2139 0.4197 -0.5399
O41_33 O 0.1544(3) 0.4259(2) -0.49926(19)
P43_33 P 0.2433(2) 0.35865(15) -0.50357(11)
C47_33 C 0.3355(4) 0.2988(4) -0.5302(4)
H47A_33 H 0.3313 0.2730 -0.5431
H47B_33 H 0.3316 0.2872 -0.5074
C48_33 C 0.3896(4) 0.3097(7) -0.5432(5)
H48A_33 H 0.4179 0.2800 -0.5420
H48B_33 H 0.3933 0.3354 -0.5302
H48C_33 H 0.3932 0.3209 -0.5658
O44_33 O 0.2536(5) 0.3578(3) -0.47169(17)
O1_34 O 0.0829(3) 0.6412(2) -0.52440(18)
C2_34 C 0.1040(6) 0.6823(4) -0.5420(3)
H2A_34 H 0.1312 0.6704 -0.5622
H2B_34 H 0.1214 0.6968 -0.5284
C3_34 C 0.0579(4) 0.7201(3) -0.5500(2)
C4_34 C 0.0308(4) 0.7071(3) -0.5707(2)
H4_34 H 0.0404 0.6745 -0.5784
C5_34 C -0.0105(4) 0.7417(4) -0.5802(2)
H5_34 H -0.0290 0.7328 -0.5944
C6_34 C -0.0245(4) 0.7894(4) -0.5689(3)
H6_34 H -0.0527 0.8131 -0.5754
C7_34 C 0.0026(5) 0.8024(3) -0.5482(3)
H7_34 H -0.0070 0.8350 -0.5405
C8_34 C 0.0438(4) 0.7677(4) -0.5387(2)
H8_34 H 0.0624 0.7766 -0.5245

#END
