
#######################################################################
#
#                 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_0001
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2'
_symmetry_Int_Tables_number      5
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2+x,1/2+y,z
3 -x,y,-z
4 1/2-x,1/2+y,-z
_cell_length_a                   158.88
_cell_length_b                   54.48
_cell_length_c                   84.92
_cell_angle_alpha                90
_cell_angle_beta                 112.79
_cell_angle_gamma                90
_cell_volume                     677664
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N N -0.343214 0.125475 -0.356124
CA C -0.343294 0.116646 -0.37278
C C -0.34658 0.090123 -0.376765
O O -0.352844 0.0861217 -0.389909
CB C -0.334068 0.120574 -0.374211
OG O -0.334047 0.110497 -0.389589
N N -0.342567 0.0720434 -0.365985
CA C -0.34563 0.0467502 -0.370047
C C -0.353346 0.0410418 -0.364145
O O -0.352441 0.0450248 -0.349163
CB C -0.33771 0.0286338 -0.361859
CG C -0.329886 0.032727 -0.367237
ND1 N -0.329848 0.0239349 -0.382436
CD2 C -0.322044 0.0454653 -0.35979
CE1 C -0.322227 0.0308364 -0.383931
NE2 N -0.317386 0.0438685 -0.370366
N N -0.360766 0.0311851 -0.375756
CA C -0.368241 0.0221912 -0.371337
C C -0.371583 -0.00271654 -0.379333
O O -0.370688 -0.00950789 -0.392463
CB C -0.376324 0.0400873 -0.377123
CG C -0.373977 0.0659495 -0.3708
ND1 N -0.371754 0.0725573 -0.353978
CD2 C -0.37373 0.0869843 -0.379218
CE1 C -0.3701 0.0964555 -0.352254
NE2 N -0.37131 0.105633 -0.367403
N N -0.375424 -0.016391 -0.371043
CA C -0.380365 -0.0388392 -0.3784
C C -0.388471 -0.0417943 -0.373074
O O -0.38845 -0.0315706 -0.360084
CB C -0.373913 -0.060957 -0.372895
CG C -0.370366 -0.0662065 -0.353965
CD1 C -0.362584 -0.0573777 -0.341639
CD2 C -0.374534 -0.0816063 -0.345459
NE1 N -0.361625 -0.0661881 -0.325967
CE2 C -0.368928 -0.0810373 -0.327921
CE3 C -0.382493 -0.0957397 -0.350976
CZ2 C -0.371012 -0.0943263 -0.315915
CZ3 C -0.384512 -0.108845 -0.339174
CH2 C -0.378907 -0.107927 -0.321854
N N -0.395226 -0.0561479 -0.382692
CA C -0.403401 -0.0596354 -0.378796
C C -0.408797 -0.0814778 -0.387776
O O -0.404996 -0.0986765 -0.391671
N N -0.417721 -0.0810006 -0.390994
CA C -0.423813 -0.100934 -0.400204
C C -0.431388 -0.0922522 -0.416821
O O -0.438044 -0.105651 -0.424741
CB C -0.427487 -0.113067 -0.388095
CG C -0.420117 -0.125511 -0.372831
CD1 C -0.41759 -0.150015 -0.3737
CD2 C -0.415883 -0.113287 -0.357363
CE1 C -0.410787 -0.161451 -0.35993
CE2 C -0.409194 -0.124686 -0.343325
CZ C -0.406681 -0.148822 -0.344501
OH O -0.400088 -0.15989 -0.330348
N N -0.430204 -0.0698408 -0.422199
CA C -0.437095 -0.0579834 -0.436913
C C -0.436728 -0.0658577 -0.453684
O O -0.430812 -0.0803949 -0.453812
N N -0.442853 -0.0553954 -0.467645
CA C -0.44371 -0.061012 -0.485438
C C -0.434531 -0.0571208 -0.487252
O O -0.431371 -0.0730713 -0.493574
CB C -0.451566 -0.0459059 -0.498671
CG C -0.461302 -0.0535232 -0.500855
CD C -0.464051 -0.0436298 -0.486587
CE C -0.474352 -0.0431526 -0.491352
NZ N -0.478146 -0.0681338 -0.491313
N N -0.429899 -0.0370587 -0.480048
CA C -0.421904 -0.0288908 -0.48296
C C -0.412632 -0.0339568 -0.468846
O O -0.405799 -0.0327453 -0.472141
CB C -0.422987 -0.00152347 -0.487277
CG C -0.431023 0.00400139 -0.503295
ND1 N -0.43309 -0.00947118 -0.518086
CD2 C -0.437634 0.0211817 -0.506743
CE1 C -0.440618 -0.0007342 -0.529977
NE2 N -0.443504 0.0178778 -0.523425
N N -0.412295 -0.0397753 -0.453416
CA C -0.403625 -0.0441621 -0.43911
C C -0.403369 -0.0694737 -0.430999
O O -0.397394 -0.074558 -0.416668
CB C -0.402022 -0.0237147 -0.425954
CG C -0.408814 -0.0244122 -0.417166
OD1 O -0.415271 -0.0392981 -0.42133
ND2 N -0.40721 -0.00855343 -0.404585
N N -0.409774 -0.0852406 -0.440566
CA C -0.411728 -0.108056 -0.434014
C C -0.4054 -0.128834 -0.434001
O O -0.399439 -0.125695 -0.439774
N N -0.406743 -0.150493 -0.427717
CA C -0.401013 -0.172188 -0.426427
C C -0.399357 -0.178062 -0.442814
O O -0.392036 -0.185973 -0.441716
CB C -0.406402 -0.192819 -0.422454
CG C -0.411527 -0.180375 -0.413219
CD C -0.41434 -0.156183 -0.422275
N N -0.406056 -0.17395 -0.457542
CA C -0.404933 -0.177878 -0.47398
C C -0.397534 -0.160863 -0.476395
O O -0.393917 -0.166682 -0.486345
CB C -0.414265 -0.177456 -0.489231
CG C -0.419251 -0.152787 -0.493676
CD C -0.424556 -0.144711 -0.482577
OE1 O -0.423796 -0.155761 -0.468961
OE2 O -0.429594 -0.126136 -0.487699
N N -0.395104 -0.140783 -0.466572
CA C -0.388488 -0.122685 -0.467236
C C -0.379301 -0.121932 -0.4521
O O -0.373066 -0.109322 -0.453148
CB C -0.39285 -0.0973733 -0.469395
CG C -0.401197 -0.0950422 -0.485425
ND1 N -0.401363 -0.10176 -0.501187
CD2 C -0.409743 -0.0874616 -0.488095
CE1 C -0.409622 -0.0981625 -0.5129
NE2 N -0.414833 -0.0894072 -0.505325
N N -0.378456 -0.134799 -0.438139
CA C -0.370181 -0.134359 -0.423003
C C -0.361485 -0.140856 -0.425903
O O -0.354187 -0.13144 -0.41686
CB C -0.370975 -0.15119 -0.408838
CG C -0.377925 -0.142857 -0.401762
CD1 C -0.382334 -0.120574 -0.40424
CD2 C -0.38103 -0.15655 -0.390522
NE1 N -0.388045 -0.119821 -0.395618
CE2 C -0.387342 -0.141517 -0.386958
CE3 C -0.379087 -0.179989 -0.383113
CZ2 C -0.391746 -0.149391 -0.376369
CZ3 C -0.383515 -0.18779 -0.37264
CH2 C -0.389797 -0.172482 -0.36951
N N -0.362309 -0.156917 -0.438305
CA C -0.354553 -0.164112 -0.442648
C C -0.349536 -0.142251 -0.446838
O O -0.341341 -0.14372 -0.444283
CB C -0.357668 -0.182614 -0.457299
CG C -0.363463 -0.171638 -0.474044
ND1 N -0.359772 -0.161524 -0.484735
CD2 C -0.372638 -0.169215 -0.482066
CE1 C -0.366395 -0.153228 -0.498671
NE2 N -0.374274 -0.157761 -0.497419
N N -0.354379 -0.122061 -0.452841
CA C -0.350576 -0.101026 -0.458308
C C -0.342558 -0.0904351 -0.443747
O O -0.335673 -0.0850754 -0.446033
CB C -0.357667 -0.0812209 -0.466112
CG C -0.365712 -0.0899211 -0.481593
CD C -0.372367 -0.0693452 -0.489512
CE C -0.380811 -0.0793487 -0.503576
NZ N -0.385338 -0.0602044 -0.516476
N N -0.343445 -0.0874432 -0.428879
CA C -0.335881 -0.0796056 -0.413347
C C -0.330767 -0.101632 -0.402171
O O -0.322958 -0.0990252 -0.391722
CB C -0.339321 -0.0621684 -0.40272
CG C -0.342037 -0.03671 -0.410792
OD1 O -0.341703 -0.0327086 -0.424932
OD2 O -0.344478 -0.0204475 -0.402886
N N -0.335209 -0.122868 -0.403895
CA C -0.331095 -0.143958 -0.392565
C C -0.331648 -0.1667 -0.403295
O O -0.337989 -0.181494 -0.406258
CB C -0.335467 -0.147996 -0.379665
CG C -0.335433 -0.125255 -0.369433
CD1 C -0.328051 -0.120005 -0.354387
CD2 C -0.342837 -0.109176 -0.374888
CE1 C -0.328019 -0.0991904 -0.34496
CE2 C -0.342847 -0.0883426 -0.365512
CZ C -0.335427 -0.0831665 -0.350708
N N -0.324844 -0.169637 -0.4088
CA C -0.325503 -0.188983 -0.421407
C C -0.325484 -0.214845 -0.414688
O O -0.328596 -0.231695 -0.424856
CB C -0.317137 -0.184229 -0.425992
CG C -0.310846 -0.168481 -0.412019
CD C -0.316872 -0.153393 -0.405709
N N -0.322238 -0.217892 -0.397636
CA C -0.322683 -0.241368 -0.389934
C C -0.33256 -0.250142 -0.394264
O O -0.333951 -0.271782 -0.391888
CB C -0.317106 -0.240946 -0.370289
CG1 C -0.315029 -0.266698 -0.362536
CG2 C -0.322017 -0.226409 -0.361054
CD1 C -0.309806 -0.282887 -0.369842
N N -0.339313 -0.233733 -0.400676
CA C -0.349094 -0.240285 -0.407395
C C -0.351688 -0.261834 -0.420078
O O -0.358216 -0.275453 -0.421151
CB C -0.354982 -0.218204 -0.415774
N N -0.346604 -0.264642 -0.42939
CA C -0.347702 -0.285604 -0.440809
C C -0.340644 -0.305886 -0.432736
O O -0.339164 -0.321084 -0.441614
CB C -0.347477 -0.27672 -0.45781
CG C -0.354943 -0.258181 -0.466393
CD C -0.354812 -0.249041 -0.482998
CE C -0.363579 -0.235293 -0.492757
NZ N -0.363788 -0.22562 -0.509272
N N -0.336722 -0.307153 -0.415799
CA C -0.329409 -0.32459 -0.407471
C C -0.332707 -0.350856 -0.40765
O O -0.340873 -0.356564 -0.414931
N N -0.326225 -0.366476 -0.398748
CA C -0.32764 -0.393017 -0.397828
C C -0.330444 -0.400781 -0.382947
O O -0.332504 -0.422202 -0.381644
CB C -0.318787 -0.406692 -0.395835
CG C -0.315234 -0.401461 -0.409834
CD C -0.322241 -0.407096 -0.427691
OE1 O -0.325912 -0.427818 -0.430284
OE2 O -0.324156 -0.39087 -0.439072
N N -0.330343 -0.38373 -0.371694
CA C -0.332243 -0.389915 -0.356546
C C -0.338305 -0.370899 -0.352752
O O -0.336413 -0.363356 -0.338076
CB C -0.323341 -0.392852 -0.341001
CG C -0.316591 -0.411097 -0.343236
CD C -0.308925 -0.418604 -0.326363
NE N -0.311189 -0.410785 -0.312185
CZ C -0.306475 -0.395862 -0.299322
NH1 N -0.298442 -0.385896 -0.297854
NH2 N -0.30993 -0.391053 -0.287431
N N -0.345639 -0.363778 -0.365985
CA C -0.351682 -0.344193 -0.364618
C C -0.359309 -0.353958 -0.359598
O O -0.363069 -0.373745 -0.365142
CB C -0.355778 -0.329619 -0.381427
CG C -0.348762 -0.313503 -0.384902
CD C -0.345585 -0.29256 -0.37232
OE1 O -0.350668 -0.275068 -0.373406
NE2 N -0.337107 -0.293827 -0.360556
N N -0.361587 -0.339292 -0.349316
CA C -0.369239 -0.344578 -0.344539
C C -0.376661 -0.32492 -0.351296
O O -0.374541 -0.304161 -0.353608
CB C -0.365866 -0.345955 -0.325443
OG O -0.358947 -0.363686 -0.319082
N N -0.38526 -0.330831 -0.353672
CA C -0.38819 -0.354784 -0.349342
C C -0.390132 -0.373377 -0.363494
O O -0.388572 -0.368293 -0.376088
CB C -0.397107 -0.348525 -0.347387
CG C -0.400899 -0.32861 -0.359713
CD C -0.392782 -0.313081 -0.358845
N N -0.393106 -0.395128 -0.360773
CA C -0.395606 -0.414878 -0.373214
C C -0.404393 -0.426699 -0.373342
O O -0.407137 -0.42222 -0.361693
CB C -0.387918 -0.434408 -0.368974
CG1 C -0.379112 -0.422954 -0.36891
CG2 C -0.386067 -0.447018 -0.351794
N N -0.408765 -0.441181 -0.386588
CA C -0.416133 -0.457719 -0.386971
C C -0.411847 -0.481525 -0.377851
O O -0.405246 -0.490684 -0.379895
CB C -0.422679 -0.463225 -0.405275
CG C -0.43073 -0.479488 -0.40613
OD1 O -0.435632 -0.473155 -0.39816
OD2 O -0.432223 -0.498632 -0.415046
N N -0.415401 -0.49096 -0.367351
CA C -0.412306 -0.514362 -0.358691
C C -0.419431 -0.532919 -0.368757
O O -0.427072 -0.532662 -0.368182
CB C -0.411284 -0.513279 -0.33989
CG1 C -0.404737 -0.492428 -0.330731
CG2 C -0.407665 -0.53771 -0.330948
CD1 C -0.404877 -0.484902 -0.313501
N N -0.417109 -0.54808 -0.378796
CA C -0.422917 -0.568051 -0.387788
C C -0.420533 -0.589709 -0.375539
O O -0.412953 -0.599364 -0.370698
CB C -0.421365 -0.57431 -0.404036
CG C -0.427179 -0.595693 -0.414062
OD1 O -0.432495 -0.607367 -0.409158
OD2 O -0.426331 -0.600851 -0.427448
N N -0.427105 -0.5974 -0.3708
CA C -0.425429 -0.616177 -0.35781
C C -0.424392 -0.641397 -0.364414
O O -0.420303 -0.657696 -0.354361
CB C -0.433098 -0.616489 -0.350951
OG1 O -0.44178 -0.618894 -0.364861
CG2 C -0.433003 -0.592775 -0.340975
N N -0.428137 -0.644664 -0.381261
CA C -0.427153 -0.6677 -0.389219
C C -0.417451 -0.670875 -0.388261
O O -0.414407 -0.691451 -0.388363
CB C -0.434157 -0.66948 -0.407727
CG C -0.443808 -0.669021 -0.409017
ND1 N -0.448657 -0.647491 -0.410639
CD2 C -0.449378 -0.687285 -0.408072
CE1 C -0.456859 -0.652575 -0.41101
NE2 N -0.457475 -0.676602 -0.409515
N N -0.4126 -0.650593 -0.387265
CA C -0.403237 -0.651621 -0.386243
C C -0.396069 -0.645619 -0.368552
O O -0.38832 -0.653805 -0.364503
CB C -0.401962 -0.63501 -0.39991
OG1 O -0.403891 -0.610083 -0.397432
CG2 C -0.408383 -0.6427 -0.417639
N N -0.398487 -0.63154 -0.358129
CA C -0.39196 -0.625538 -0.340796
C C -0.390404 -0.647546 -0.328777
O O -0.395238 -0.650703 -0.320602
CB C -0.395174 -0.6032 -0.333758
N N -0.383377 -0.661863 -0.327334
CA C -0.381459 -0.685211 -0.318163
C C -0.377471 -0.682971 -0.298684
O O -0.371457 -0.668122 -0.291429
CB C -0.374695 -0.700188 -0.323246
CG C -0.378034 -0.706833 -0.342023
CD C -0.385217 -0.726362 -0.346774
CE C -0.389881 -0.729575 -0.365934
NZ N -0.39838 -0.744167 -0.370136
N N -0.380881 -0.698206 -0.290407
CA C -0.376716 -0.702207 -0.271835
C C -0.366586 -0.7092 -0.265921
O O -0.364267 -0.726986 -0.272052
CB C -0.381908 -0.722655 -0.266662
CG C -0.377191 -0.731777 -0.248345
CD1 C -0.375454 -0.715937 -0.234602
CD2 C -0.374479 -0.756281 -0.244884
CE1 C -0.371128 -0.724086 -0.217958
CE2 C -0.370171 -0.764688 -0.228266
CZ C -0.368525 -0.748499 -0.214842
OH O -0.364194 -0.756703 -0.198237
N N -0.360676 -0.695122 -0.254004
CA C -0.350986 -0.700867 -0.246174
C C -0.348832 -0.708264 -0.227832
O O -0.348891 -0.692553 -0.21732
CB C -0.345277 -0.678694 -0.246685
CG C -0.335123 -0.683779 -0.239047
OD1 O -0.332116 -0.702097 -0.229901
OD2 O -0.330037 -0.669425 -0.242265
N N -0.346725 -0.732034 -0.223732
CA C -0.344744 -0.740496 -0.206258
C C -0.335535 -0.732089 -0.192693
O O -0.334314 -0.733503 -0.177519
CB C -0.345204 -0.768487 -0.208021
CG C -0.343106 -0.773755 -0.223246
CD C -0.346273 -0.752133 -0.234959
N N -0.329269 -0.723022 -0.197905
CA C -0.320673 -0.71289 -0.185719
C C -0.321494 -0.686697 -0.179652
O O -0.31488 -0.677244 -0.168284
CB C -0.313645 -0.712523 -0.193639
OG O -0.315627 -0.693011 -0.205339
N N -0.329386 -0.67484 -0.187342
CA C -0.330875 -0.650446 -0.181734
C C -0.331773 -0.651786 -0.164606
O O -0.337484 -0.665534 -0.162639
CB C -0.33951 -0.63846 -0.194686
CG C -0.338817 -0.627062 -0.210461
CD1 C -0.348383 -0.621629 -0.223106
CD2 C -0.333126 -0.603843 -0.206016
N N -0.32654 -0.636368 -0.152701
CA C -0.326225 -0.636276 -0.135189
C C -0.333992 -0.621115 -0.133669
O O -0.338403 -0.606229 -0.145037
CB C -0.317094 -0.626621 -0.122761
CG C -0.30925 -0.641379 -0.123451
CD C -0.300092 -0.633137 -0.110678
CE C -0.29332 -0.654062 -0.108098
NZ N -0.283652 -0.646133 -0.0996422
N N -0.335934 -0.625428 -0.11976
CA C -0.342787 -0.61001 -0.117231
C C -0.339755 -0.583579 -0.115264
O O -0.331642 -0.577926 -0.107753
CB C -0.343088 -0.6195 -0.100409
CG C -0.339489 -0.644903 -0.0986842
CD C -0.332453 -0.644371 -0.106348
N N -0.34636 -0.567518 -0.121995
CA C -0.344705 -0.541711 -0.119594
C C -0.343746 -0.534883 -0.101341
O O -0.349634 -0.541234 -0.0959125
CB C -0.352653 -0.528257 -0.132724
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CE1 C -0.399454 -0.212991 -0.149623
CE2 C -0.387745 -0.227051 -0.123311
CZ C -0.396168 -0.21602 -0.131805
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C C -0.400642 -0.215598 -0.21815
O O -0.399275 -0.237569 -0.216745
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CG C -0.384881 -0.197298 -0.225201
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C C -0.41679 -0.210036 -0.261374
O O -0.414249 -0.189626 -0.263392
CB C -0.424092 -0.216773 -0.240554
CG C -0.423447 -0.224427 -0.222965
CD1 C -0.420451 -0.207944 -0.209401
CD2 C -0.426597 -0.24715 -0.220424
CE1 C -0.419919 -0.2149 -0.193332
CE2 C -0.42619 -0.253941 -0.204138
CZ C -0.423007 -0.237918 -0.190918
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CA C -0.42545 -0.218571 -0.292233
C C -0.435435 -0.226831 -0.297355
O O -0.437187 -0.245682 -0.291288
CB C -0.420769 -0.231879 -0.302337
CG C -0.410541 -0.229456 -0.294826
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C C -0.177518 -0.325397 -0.267978
O O -0.173444 -0.333969 -0.276484
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CG C -0.188816 -0.380609 -0.254387
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CZ C -0.212859 -0.294671 -0.324805
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O O -0.129883 -0.202988 -0.238715
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CG1 C -0.105978 -0.202382 -0.314458
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CD1 C -0.108053 -0.17819 -0.324179
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C C -0.077506 -0.287604 -0.312581
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C C -0.0691898 -0.301279 -0.339238
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OG1 O -0.0562433 -0.259815 -0.324128
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N N -0.0642408 -0.316257 -0.32658
CA C -0.0619363 -0.341238 -0.329799
C C -0.0702534 -0.357867 -0.335164
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ND1 N -0.0432738 -0.317505 -0.298173
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OG1 O -0.0882854 -0.351994 -0.31032
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C C -0.101559 -0.319505 -0.380342
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C C -0.111335 -0.32894 -0.42073
O O -0.118949 -0.321396 -0.422697
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CG C -0.104778 -0.392173 -0.39793
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CE C -0.0877899 -0.38584 -0.385553
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C C -0.120436 -0.326187 -0.459253
O O -0.120026 -0.348029 -0.462229
CB C -0.105318 -0.310622 -0.457644
CG C -0.109718 -0.303206 -0.476254
CD1 C -0.114209 -0.280795 -0.48098
CD2 C -0.109292 -0.318331 -0.489155
CE1 C -0.118229 -0.27371 -0.497968
CE2 C -0.11329 -0.311374 -0.506156
CZ C -0.117745 -0.289091 -0.510498
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C C -0.139186 -0.310713 -0.493523
O O -0.141859 -0.289256 -0.49503
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C C -0.15043 -0.306143 -0.533426
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C C -0.169164 -0.287091 -0.53174
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C C -0.165451 -0.231126 -0.524051
O O -0.158941 -0.227804 -0.528266
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CD2 C -0.167042 -0.247389 -0.475424
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C C -0.169541 -0.174097 -0.534077
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CE C -0.203564 -0.233219 -0.58241
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C C -0.170914 -0.120152 -0.531408
O O -0.179364 -0.122134 -0.53805
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CG C -0.164594 -0.139883 -0.565972
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CA C -0.17137 -0.0913712 -0.510652
C C -0.1745 -0.068042 -0.521394
O O -0.169175 -0.0564783 -0.52626
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CD1 C -0.17492 -0.090068 -0.477238
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CA C -0.187135 -0.0396652 -0.535304
C C -0.188929 -0.0197683 -0.524115
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C C -0.188522 0.0414089 -0.521419
O O -0.184392 0.051082 -0.529198
CB C -0.174631 0.027404 -0.495605
CG1 C -0.175461 0.0479065 -0.484046
CG2 C -0.169858 0.00554321 -0.484314
N N -0.197045 0.0479249 -0.523616
CA C -0.201837 0.0691984 -0.53363
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C C -0.196903 0.151337 -0.512529
O O -0.195046 0.169692 -0.503435
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CG C -0.186163 0.104587 -0.475667
CD1 C -0.193185 0.0885812 -0.476356
CD2 C -0.177836 0.102292 -0.461923
CE1 C -0.191628 0.070318 -0.463877
CE2 C -0.176322 0.0841577 -0.449622
CZ C -0.183305 0.0683173 -0.45067
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C C -0.205809 0.194912 -0.535636
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O O -0.22634 0.211303 -0.510524
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CG C -0.232898 0.191094 -0.564311
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OE1 O -0.225765 0.22986 -0.56509
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C C -0.214126 0.216424 -0.477212
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C C -0.220043 0.236192 -0.44307
O O -0.225336 0.225858 -0.437961
CB C -0.232576 0.24269 -0.47172
OG1 O -0.234442 0.244232 -0.489551
CG2 C -0.23572 0.266111 -0.465499
N N -0.21192 0.244911 -0.432711
CA C -0.20904 0.246159 -0.414177
C C -0.214531 0.265762 -0.409566
O O -0.21762 0.283621 -0.418865
CB C -0.198763 0.252014 -0.405517
OG O -0.196861 0.275967 -0.410039
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CA C -0.221072 0.278978 -0.389232
C C -0.215994 0.288963 -0.371362
O O -0.216213 0.311081 -0.368527
CB C -0.22993 0.266331 -0.389883
CG C -0.236126 0.25563 -0.406833
CD1 C -0.243269 0.239019 -0.40461
CD2 C -0.240666 0.276078 -0.419401
N N -0.211587 0.273141 -0.359343
CA C -0.207265 0.28129 -0.341627
C C -0.19973 0.264551 -0.331498
O O -0.19877 0.244378 -0.337105
CB C -0.214235 0.284264 -0.333248
CG C -0.219849 0.26233 -0.332456
CD C -0.226112 0.26958 -0.323182
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CZ C -0.228468 0.246746 -0.29954
NH1 N -0.226679 0.266129 -0.28904
NH2 N -0.230512 0.225289 -0.294239
N N -0.194169 0.273618 -0.316553
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C C -0.187521 0.261706 -0.28784
O O -0.189946 0.281401 -0.283471
CB C -0.177285 0.269653 -0.304189
CG1 C -0.169651 0.251702 -0.294584
CG2 C -0.175412 0.296378 -0.297726
CD1 C -0.160161 0.258585 -0.294073
N N -0.185222 0.241754 -0.278043
CA C -0.186833 0.240781 -0.262383
C C -0.180447 0.223931 -0.248895
O O -0.177734 0.205172 -0.252905
CB C -0.196763 0.233769 -0.266662
CG C -0.199497 0.20732 -0.271235
CD1 C -0.199379 0.192691 -0.255945
CD2 C -0.209104 0.206622 -0.284531
N N -0.177877 0.231475 -0.23289
CA C -0.172256 0.216626 -0.218291
C C -0.179054 0.202474 -0.21276
O O -0.183982 0.213891 -0.207165
CB C -0.165921 0.233659 -0.204138
CG C -0.159986 0.220223 -0.187904
OD1 O -0.162493 0.200932 -0.183382
ND2 N -0.151859 0.230153 -0.179231
N N -0.179271 0.178062 -0.214599
CA C -0.185411 0.162809 -0.20972
C C -0.181251 0.152365 -0.19148
O O -0.185759 0.138654 -0.186562
CB C -0.189956 0.14293 -0.22271
CG C -0.183432 0.124392 -0.224881
OD1 O -0.176173 0.119968 -0.21368
ND2 N -0.186214 0.113214 -0.240056
N N -0.172825 0.159248 -0.181696
CA C -0.168012 0.149887 -0.164069
C C -0.162597 0.126448 -0.16315
O O -0.158068 0.117527 -0.149176
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CA C -0.158216 0.0938124 -0.179231
C C -0.153024 0.097667 -0.191212
O O -0.145497 0.0890217 -0.18775
CB C -0.164719 0.0719332 -0.185502
CG C -0.169689 0.0655641 -0.174211
ND1 N -0.178937 0.0695104 -0.179052
CD2 C -0.166787 0.0548815 -0.158577
CE1 C -0.181502 0.0618196 -0.166815
NE2 N -0.174268 0.0528073 -0.154247
N N -0.157286 0.11046 -0.205415
CA C -0.152621 0.120519 -0.215902
C C -0.157221 0.144619 -0.224077
O O -0.162337 0.155118 -0.218418
CB C -0.1528 0.101944 -0.229109
N N -0.15561 0.153631 -0.237335
CA C -0.161246 0.173051 -0.248141
C C -0.165426 0.163139 -0.266087
O O -0.160954 0.149355 -0.271362
CB C -0.155839 0.196949 -0.247413
CG C -0.148335 0.19493 -0.254425
CD1 C -0.150289 0.198344 -0.271835
CD2 C -0.139342 0.190507 -0.243607
CE1 C -0.143426 0.196674 -0.278055
CE2 C -0.132446 0.188708 -0.249699
CZ C -0.13451 0.191828 -0.267122
N N -0.17409 0.169967 -0.275284
CA C -0.179336 0.160882 -0.292208
C C -0.181834 0.182302 -0.305096
O O -0.184177 0.202089 -0.301302
CB C -0.188267 0.149208 -0.292783
CG C -0.186933 0.124117 -0.284391
OD1 O -0.179317 0.115545 -0.276242
ND2 N -0.194497 0.112406 -0.286026
N N -0.18112 0.178337 -0.319887
CA C -0.185183 0.194948 -0.334653
C C -0.193866 0.182522 -0.346225
O O -0.193466 0.162075 -0.352075
CB C -0.178909 0.198821 -0.344296
CG1 C -0.183613 0.214368 -0.360543
CG2 C -0.170198 0.211248 -0.332468
N N -0.201611 0.194802 -0.349495
CA C -0.210595 0.184321 -0.359177
C C -0.21418 0.193884 -0.377647
O O -0.212912 0.215359 -0.38098
CB C -0.217215 0.190635 -0.351143
CG C -0.214447 0.178723 -0.333541
CD C -0.220497 0.185808 -0.324153
OE1 O -0.225083 0.205319 -0.328279
OE2 O -0.220735 0.171344 -0.3129
N N -0.218841 0.177438 -0.389283
CA C -0.222408 0.181696 -0.407484
C C -0.232744 0.1792 -0.414727
O O -0.236695 0.166461 -0.407638
CB C -0.218335 0.162882 -0.415659
CG C -0.208643 0.16826 -0.412836
CD1 C -0.201723 0.160716 -0.398134
CD2 C -0.206599 0.181549 -0.424856
CE1 C -0.192794 0.16637 -0.395107
CE2 C -0.197684 0.187239 -0.422045
CZ C -0.190787 0.179438 -0.407305
N N -0.237005 0.192067 -0.428713
CA C -0.246559 0.189607 -0.438868
C C -0.24795 0.164993 -0.448205
O O -0.245906 0.162277 -0.460888
CB C -0.249869 0.211321 -0.451423
CG C -0.259885 0.209614 -0.4632
OD1 O -0.264368 0.19069 -0.463941
OD2 O -0.263358 0.227418 -0.472499
N N -0.252091 0.147905 -0.442393
CA C -0.254277 0.123456 -0.449699
C C -0.26455 0.120262 -0.460377
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CB C -0.250669 0.104201 -0.435432
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C C -0.220497 -0.176814 -0.50507
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OG1 O -0.254041 -0.0517244 -0.548141
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CE1 C -0.231458 -0.119142 -0.472154
CE2 C -0.228913 -0.11136 -0.442802
CZ C -0.230762 -0.127402 -0.456111
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C C -0.229479 0.0391145 -0.446966
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C C -0.222088 0.0831114 -0.422722
O O -0.22775 0.0984746 -0.430769
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CD1 C -0.196472 0.0798626 -0.408225
CD2 C -0.197706 0.114572 -0.427653
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CA C -0.223641 0.0904901 -0.395197
C C -0.216563 0.106037 -0.381772
O O -0.218499 0.126906 -0.379052
CB C -0.228613 0.0727592 -0.386894
CG1 C -0.232745 0.0872964 -0.376178
CG2 C -0.222526 0.0523301 -0.376433
CD1 C -0.240042 0.0736219 -0.372295
N N -0.208263 0.0964188 -0.374057
CA C -0.201014 0.109781 -0.361629
C C -0.19181 0.0984012 -0.358576
O O -0.191379 0.0778436 -0.363583
CB C -0.202331 0.109745 -0.344641
CG C -0.202995 0.0843229 -0.337603
CD C -0.194805 0.0771644 -0.321995
OE1 O -0.187052 0.0832583 -0.320449
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CA C -0.175364 0.102549 -0.343044
C C -0.170841 0.111433 -0.324447
O O -0.173459 0.130688 -0.319759
CB C -0.169192 0.105853 -0.353148
CG C -0.166267 0.131972 -0.354617
CD1 C -0.159006 0.142728 -0.341703
CD2 C -0.170275 0.145023 -0.370085
CE1 C -0.156276 0.166535 -0.343083
CE2 C -0.167364 0.168572 -0.371682
CZ C -0.160323 0.179365 -0.358193
N N -0.164068 0.0972815 -0.314561
CA C -0.158191 0.103541 -0.296781
C C -0.149146 0.0899579 -0.292157
O O -0.148175 0.0758429 -0.302669
CB C -0.162875 0.0956479 -0.285234
CG C -0.164555 0.0687211 -0.285809
ND1 N -0.172371 0.0578366 -0.297202
CD2 C -0.159213 0.050256 -0.276574
CE1 C -0.171856 0.033865 -0.294596
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CA C -0.133803 0.0823956 -0.270213
C C -0.13172 0.0711256 -0.252548
O O -0.136096 0.0774214 -0.244105
CB C -0.126288 0.101834 -0.268144
CG C -0.127533 0.116316 -0.284467
CD1 C -0.133185 0.136781 -0.289181
CD2 C -0.122533 0.109983 -0.294124
CE1 C -0.134113 0.150126 -0.303665
CE2 C -0.123422 0.123419 -0.308723
CZ C -0.129264 0.143389 -0.313475
N N -0.124969 0.0546061 -0.247451
CA C -0.120523 0.0453369 -0.229684
C C -0.110432 0.0501091 -0.22575
O O -0.107393 0.048292 -0.237067
CB C -0.122533 0.018043 -0.228841
CG C -0.132513 0.011894 -0.237041
ND1 N -0.137763 0.00699326 -0.227679
CD2 C -0.138204 0.0102604 -0.25371
CE1 C -0.146259 0.00255135 -0.238319
NE2 N -0.146696 0.00414823 -0.25417
N N -0.105609 0.0583322 -0.210359
CA C -0.0960823 0.0657293 -0.204866
C C -0.0909661 0.0614893 -0.185988
O O -0.0950808 0.0556707 -0.176676
CB C -0.0953231 0.0926193 -0.209043
CG C -0.099683 0.110203 -0.201098
CD1 C -0.0955436 0.122042 -0.185783
CD2 C -0.109035 0.117692 -0.2076
NE1 N -0.101603 0.13702 -0.182705
CE2 C -0.109953 0.134689 -0.195797
CE3 C -0.116544 0.112865 -0.222531
CZ2 C -0.118201 0.146381 -0.198186
CZ3 C -0.124802 0.125016 -0.225239
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CA C -0.0758019 0.0576898 -0.163022
C C -0.0721187 0.0803765 -0.152344
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CA C -0.0618991 0.0942896 -0.124166
C C -0.0524537 0.097667 -0.124997
O O -0.047558 0.115012 -0.117461
CB C -0.0604072 0.0862685 -0.105952
OG O -0.0566922 0.0623336 -0.102874
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CA C -0.0412802 0.0811658 -0.136147
C C -0.0436362 0.0742827 -0.154796
O O -0.0506342 0.0624988 -0.162971
CB C -0.0342113 0.0631045 -0.125137
CG C -0.0326264 0.0619298 -0.106169
CD1 C -0.0283292 0.0376094 -0.098697
CD2 C -0.0268076 0.083295 -0.0968193
N N -0.0374995 0.0808354 -0.161029
CA C -0.0387412 0.0758429 -0.178886
C C -0.0386822 0.0481452 -0.182462
O O -0.0424921 0.040381 -0.196794
CB C -0.0310595 0.0880306 -0.183037
CG C -0.0321428 0.115508 -0.185656
OD1 O -0.0392738 0.126319 -0.186537
OD2 O -0.0256849 0.126466 -0.187661
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C C -0.0420009 -0.00778252 -0.173866
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C C -0.0652719 0.00591031 -0.181964
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CG C -0.0563148 0.00029368 -0.144744
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C C -0.0891619 -0.00436849 -0.209745
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C C -0.109011 -0.106018 -0.240899
O O -0.105085 -0.122795 -0.231025
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CG C -0.123667 -0.052275 -0.234653
CD C -0.132706 -0.0533029 -0.232711
OE1 O -0.139308 -0.0550099 -0.245816
OE2 O -0.133162 -0.0520915 -0.218252
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C C -0.0968412 -0.123291 -0.259036
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CG C -0.121655 -0.13133 -0.29125
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C C -0.0814324 -0.163029 -0.266177
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C C -0.0622207 -0.18768 -0.271273
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C C -0.0503022 -0.215763 -0.241486
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C C -0.0507593 -0.171748 -0.216451
O O -0.048253 -0.161561 -0.20258
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CG C -0.0498631 -0.240946 -0.203729
CD C -0.0589611 -0.244213 -0.20189
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C C -0.0552443 -0.117545 -0.230425
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CG C -0.0404895 -0.106826 -0.246289
CD C -0.0381144 -0.105376 -0.262089
CE C -0.0326743 -0.0823956 -0.262383
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C C -0.0575894 -0.0566435 -0.226095
O O -0.0497945 -0.0497053 -0.223132
CB C -0.0589405 -0.0759897 -0.200574
CG C -0.062621 -0.0965657 -0.193422
CD C -0.0593322 -0.0940694 -0.174007
CE C -0.0636366 -0.112828 -0.166432
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C C -0.0658176 -0.000715845 -0.231
O O -0.0681264 -0.00638754 -0.218801
CB C -0.0711615 -0.0181714 -0.260799
CG C -0.0679589 -0.0323415 -0.272601
CD1 C -0.0698807 -0.0571024 -0.275744
CD2 C -0.0626804 -0.0208146 -0.280457
CE1 C -0.0669606 -0.0699693 -0.286843
CE2 C -0.059659 -0.0335162 -0.291493
CZ C -0.0618167 -0.0580569 -0.294558
OH O -0.0586942 -0.0709421 -0.305045
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CA C -0.0647433 0.0428406 -0.224077
C C -0.0747563 0.0483471 -0.227053
O O -0.0766216 0.058424 -0.215966
CB C -0.0603489 0.0656008 -0.228024
N N -0.0809609 0.0421798 -0.242189
CA C -0.0907296 0.0454286 -0.246813
C C -0.0961971 0.0302857 -0.262766
O O -0.0922813 0.0193095 -0.270941
CB C -0.0933367 0.0726124 -0.250134
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CA C -0.111359 0.0173638 -0.281402
C C -0.120246 0.0324516 -0.289155
O O -0.12414 0.0399955 -0.280176
CB C -0.113205 -0.00831481 -0.276063
CG C -0.118659 -0.0250179 -0.291097
CD C -0.119114 -0.051651 -0.285783
OE1 O -0.112438 -0.0605164 -0.273815
OE2 O -0.126175 -0.0643343 -0.293626
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CA C -0.131574 0.0484205 -0.31594
C C -0.139111 0.0295699 -0.324192
O O -0.137496 0.0111966 -0.331076
CB C -0.130185 0.0633982 -0.330297
CG C -0.138363 0.0736403 -0.344935
CD1 C -0.143854 0.0914263 -0.339047
CD2 C -0.135117 0.08614 -0.357772
N N -0.147398 0.0354619 -0.324792
CA C -0.155484 0.0194012 -0.331076
C C -0.163249 0.0338283 -0.343198
O O -0.16649 0.0502193 -0.337693
CB C -0.157801 0.0103706 -0.315876
CG C -0.151779 -0.00952625 -0.305607
ND1 N -0.151667 -0.0174372 -0.289985
CD2 C -0.145251 -0.0227786 -0.308276
CE1 C -0.145236 -0.0342871 -0.283484
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N N -0.165755 0.0290743 -0.360109
CA C -0.173711 0.0389677 -0.372882
C C -0.18167 0.0209614 -0.376152
O O -0.181588 7.342e-005 -0.381836
CB C -0.172109 0.04374 -0.3895
CG C -0.164508 0.0626823 -0.386984
CD1 C -0.156627 0.0517427 -0.390598
CD2 C -0.168459 0.0852039 -0.39756
N N -0.188687 0.0298085 -0.373227
CA C -0.19565 0.0139131 -0.371745
C C -0.20394 0.0165746 -0.38738
O O -0.207441 0.0370404 -0.392042
CB C -0.197881 0.0206677 -0.356316
CG1 C -0.205386 0.00412987 -0.354745
CG2 C -0.189262 0.0190525 -0.340158
N N -0.207037 -0.00446026 -0.395593
CA C -0.214971 -0.00541472 -0.411329
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OG1 O -0.204248 0.38149 -0.410882
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CE1 C -0.148378 0.252069 -0.381427
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CD C -0.178189 0.189864 -0.444896
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C C -0.143616 0.158495 -0.450402
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CZ C -0.171238 0.202602 -0.519899
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O O -0.11375 0.10064 -0.428866
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C C -0.106769 0.019181 -0.474594
O O -0.112789 0.0163359 -0.488657
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CG C -0.0994642 0.0567353 -0.493306
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O O -0.113806 -0.0245957 -0.448933
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CA C -0.128895 -0.0507516 -0.4702
C C -0.12823 -0.0787797 -0.467198
O O -0.134991 -0.0907288 -0.468207
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CG C -0.140269 -0.0150144 -0.484582
CD1 C -0.149722 -0.00976486 -0.498083
CD2 C -0.139675 -0.00381784 -0.467939
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C C -0.119725 -0.117692 -0.441103
O O -0.117038 -0.101668 -0.429824
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OD1 O -0.113228 -0.13256 -0.484786
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CD1 C -0.145894 -0.139535 -0.462957
CD2 C -0.148308 -0.166168 -0.442418
CE1 C -0.15228 -0.152567 -0.476203
CE2 C -0.154644 -0.17953 -0.455664
CZ C -0.15655 -0.172592 -0.472537
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C C -0.137642 -0.189864 -0.396487
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CD1 C -0.107633 -0.221747 -0.377608
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NE1 N -0.0983447 -0.218461 -0.372933
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CE3 C -0.103896 -0.158642 -0.363175
CZ2 C -0.0877446 -0.182926 -0.361131
CZ3 C -0.0955401 -0.14684 -0.357286
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C C -0.153035 -0.232778 -0.388235
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OG1 O -0.16775 -0.204438 -0.41253
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CA C -0.160593 -0.248637 -0.369651
C C -0.169034 -0.240597 -0.365857
O O -0.170682 -0.218461 -0.365001
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CG C -0.150495 -0.236376 -0.338932
CD1 C -0.145661 -0.214919 -0.338625
CD2 C -0.153749 -0.24001 -0.325673
CE1 C -0.144197 -0.197647 -0.325839
CE2 C -0.152353 -0.222591 -0.313002
CZ C -0.147544 -0.201666 -0.312939
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CA C -0.182108 -0.251207 -0.359356
C C -0.178856 -0.246104 -0.339966
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C C -0.185039 -0.203318 -0.312491
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C C -0.183528 -0.146656 -0.289104
O O -0.17635 -0.139186 -0.289883
CB C -0.18511 -0.185037 -0.275526
OG O -0.176621 -0.178007 -0.262396
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CA C -0.186403 -0.108992 -0.276816
C C -0.178054 -0.112902 -0.260684
O O -0.177692 -0.131018 -0.251334
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CG C -0.20299 -0.0917934 -0.286984
CD1 C -0.209814 -0.0809823 -0.280329
CD2 C -0.201924 -0.0747232 -0.300472
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C C -0.163461 -0.0852039 -0.226095
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OG1 O -0.154762 -0.0639121 -0.246647
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CA C -0.173159 -0.0631412 -0.214356
C C -0.181986 -0.0736953 -0.214612
O O -0.187426 -0.083295 -0.227755
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OG1 O -0.182419 -0.0301756 -0.232303
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CA C -0.19227 -0.0794955 -0.200408
C C -0.199824 -0.0654906 -0.214037
O O -0.19867 -0.0436849 -0.215519
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CG C -0.1817 -0.0749435 -0.171605
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C C -0.206503 -0.12441 -0.227117
O O -0.20994 -0.144876 -0.227666
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CD C -0.214594 -0.0671609 -0.238932
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C C -0.200922 -0.158807 -0.250811
O O -0.19902 -0.18076 -0.250989
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CD1 C -0.178964 -0.156513 -0.188977
CD2 C -0.174285 -0.133312 -0.209669
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C C -0.211122 -0.174685 -0.287622
O O -0.206011 -0.162478 -0.292182
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CG C -0.2284 -0.137369 -0.275067
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C C -0.215479 -0.208348 -0.32211
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CB C -0.208082 -0.238285 -0.297228
CG C -0.20149 -0.240102 -0.27849
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C C -0.21654 -0.166553 -0.355268
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C C -0.197003 -0.171858 -0.364478
O O -0.191967 -0.189369 -0.35666
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CG1 C -0.188134 -0.126539 -0.348511
CG2 C -0.198403 -0.123896 -0.332111
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CA C -0.19285 -0.174483 -0.388746
C C -0.184777 -0.156825 -0.383956
O O -0.18579 -0.135662 -0.389398
CB C -0.197717 -0.175694 -0.408187
OG1 O -0.205218 -0.192103 -0.412466
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C C -0.164369 -0.151025 -0.382206
O O -0.163578 -0.170573 -0.389091
CB C -0.16157 -0.159542 -0.351628
CG C -0.163589 -0.148602 -0.33736
CD1 C -0.168333 -0.159101 -0.328598
CD2 C -0.16121 -0.124594 -0.330642
NE1 N -0.168979 -0.142967 -0.316758
CE2 C -0.164576 -0.121712 -0.317562
CE3 C -0.156334 -0.105119 -0.334116
CZ2 C -0.163329 -0.0998879 -0.308072
CZ3 C -0.155009 -0.083607 -0.324677
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C C -0.14871 -0.11002 -0.387226
O O -0.149472 -0.0883059 -0.384403
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CG1 C -0.171456 -0.129825 -0.423348
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CD1 C -0.179127 -0.11727 -0.43745
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C C -0.12614 -0.107469 -0.380904
O O -0.123247 -0.125768 -0.38563
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CG1 C -0.118524 -0.113728 -0.343504
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CA C -0.118567 -0.0795873 -0.393549
C C -0.10858 -0.085883 -0.38425
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CB C -0.119395 -0.052532 -0.398914
CG C -0.128851 -0.0425469 -0.409962
CD1 C -0.127871 -0.0171252 -0.416451
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C C -0.0889592 -0.0797341 -0.382232
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CG C -0.0831792 -0.119858 -0.399067
CD C -0.0822109 -0.131532 -0.414548
CE C -0.0853778 -0.115067 -0.430425
NZ N -0.0780434 -0.105615 -0.435585
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CA C -0.0853076 -0.0390961 -0.390011
C C -0.0873477 -0.0214753 -0.378004
O O -0.0952318 -0.0139682 -0.381977
CB C -0.0870426 -0.0261192 -0.407088
CG C -0.080031 -0.00679135 -0.405811
CD C -0.0813347 0.00546979 -0.422812
OE1 O -0.087073 -0.00262476 -0.436364
OE2 O -0.0764778 0.0235128 -0.422518
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C C -0.0822371 0.0294231 -0.360339
O O -0.0791288 0.0322314 -0.371503
CB C -0.0738176 0.0024045 -0.335598
CG C -0.0690775 -0.0207228 -0.336415
CD C -0.0712387 -0.0254217 -0.354974
N N -0.0860495 0.0473926 -0.354949
CA C -0.0846868 0.0730896 -0.358308
C C -0.076975 0.0832399 -0.342367
O O -0.0751562 0.0735301 -0.328138
CB C -0.093577 0.088673 -0.363583
CG1 C -0.0977369 0.0881591 -0.349929
CG2 C -0.100437 0.0807804 -0.381006
CD1 C -0.104062 0.109745 -0.351692
N N -0.0721331 0.101815 -0.34473
CA C -0.0651511 0.113746 -0.330157
C C -0.0691932 0.135864 -0.325086
O O -0.0745501 0.148951 -0.336096
CB C -0.0568968 0.121675 -0.334065
OG O -0.0515734 0.100897 -0.33395
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CA C -0.0682637 0.163396 -0.301622
C C -0.0593511 0.17261 -0.288363
O O -0.0531064 0.158037 -0.281517
CB C -0.0756038 0.160863 -0.293996
CG1 C -0.0844531 0.151539 -0.307983
CG2 C -0.0723965 0.144234 -0.278107
N N -0.0586664 0.196343 -0.284812
CA C -0.0500654 0.206365 -0.272512
C C -0.0494778 0.20185 -0.254349
O O -0.0564687 0.196986 -0.251756
CB C -0.0490879 0.233384 -0.275118
OG O -0.0559844 0.246728 -0.272525
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CA C -0.0393364 0.20029 -0.224026
C C -0.0447305 0.219654 -0.218827
O O -0.0486094 0.213836 -0.209592
CB C -0.0292301 0.202933 -0.213271
OG O -0.0265376 0.226905 -0.215314
N N -0.0453028 0.242139 -0.225392
CA C -0.0503903 0.262036 -0.221267
C C -0.0608379 0.258732 -0.229991
O O -0.0657533 0.266313 -0.222723
CB C -0.0474799 0.287072 -0.225328
CG C -0.0378689 0.293992 -0.213743
CD C -0.036759 0.300875 -0.195337
OE1 O -0.0432411 0.310787 -0.192719
OE2 O -0.0292663 0.296543 -0.183344
N N -0.064189 0.247315 -0.245024
CA C -0.0740142 0.242213 -0.25357
C C -0.0776118 0.223766 -0.243645
O O -0.0843824 0.22852 -0.240413
CB C -0.0765262 0.232778 -0.27209
CG C -0.0774738 0.252987 -0.285029
CD C -0.0792858 0.243516 -0.303027
OE1 O -0.07635 0.223417 -0.305415
NE2 N -0.0841132 0.258016 -0.315736
N N -0.0732199 0.202566 -0.239455
CA C -0.0755066 0.184376 -0.229097
C C -0.0736429 0.194691 -0.211214
O O -0.078958 0.19025 -0.204266
CB C -0.0709546 0.158899 -0.228573
CG1 C -0.0606496 0.15956 -0.219108
CG2 C -0.0751505 0.139608 -0.220717
N N -0.0664641 0.209357 -0.204113
CA C -0.0643916 0.220297 -0.187137
C C -0.0724369 0.235972 -0.186537
O O -0.0738207 0.237257 -0.173215
CB C -0.0555662 0.235348 -0.181415
CG C -0.0522062 0.247958 -0.163967
CD1 C -0.049645 0.22896 -0.149891
CD2 C -0.0440588 0.26433 -0.161885
N N -0.0774693 0.247811 -0.200753
CA C -0.0856238 0.262183 -0.202656
C C -0.093568 0.246783 -0.201507
O O -0.0986275 0.25596 -0.195056
CB C -0.0890969 0.275967 -0.219708
CG C -0.0836847 0.298783 -0.219772
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CG C -0.103692 0.179512 -0.23266
CD1 C -0.106166 0.199739 -0.243517
CD2 C -0.104183 0.156311 -0.239775
CE1 C -0.108917 0.1966 -0.261003
CE2 C -0.106975 0.153099 -0.257274
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NH1 N -0.0499573 0.159652 -0.162498
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CG C -0.0797707 0.285879 -0.151424
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CD2 C -0.130045 0.261504 -0.19544
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CG C -0.12166 0.260219 -0.106284
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CG C -0.131721 0.126209 -0.117218
CD1 C -0.135684 0.113966 -0.132469
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CE1 C -0.130905 0.0966941 -0.13754
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CG C -0.164974 0.368348 -0.10272
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C C -0.139421 0.263927 -0.0310895
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O O -0.127856 0.224151 -0.0411674
CB C -0.12307 0.221123 -0.00254183
CG C -0.130677 0.219654 0.00361476
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C C -0.109348 0.218131 -0.0433388
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OE1 O -0.0870417 0.271269 -0.0463788
OE2 O -0.0957543 0.289385 -0.0707113
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C C -0.109859 0.182045 -0.0786178
O O -0.116807 0.183605 -0.0914164
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CG C -0.116976 0.138342 -0.063469
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CG1 C -0.0827028 0.138727 -0.12819
CG2 C -0.0827298 0.111121 -0.10433
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C C -0.103647 0.0286338 -0.145025
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CG C -0.0773061 0.0306528 -0.119389
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C C -0.117367 -0.0515592 -0.176306
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CG C -0.0991683 -0.0289642 -0.176689
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CE3 C -0.0936513 -0.0742276 -0.168706
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CG C -0.137097 -0.213083 -0.2047
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C C -0.139014 -0.346873 -0.264401
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OD1 O -0.145177 -0.466144 -0.28609
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C C -0.147525 -0.364365 -0.333797
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C C -0.143562 -0.329803 -0.363635
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CD1 C -0.11933 -0.270718 -0.317933
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C C -0.0987709 -0.236945 -0.460645
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CE1 C -0.101039 -0.183091 -0.416566
CE2 C -0.0860732 -0.196086 -0.414203
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C C -0.076058 -0.246746 -0.45196
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CE C -0.0766118 -0.341862 -0.474977
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OXT O -0.0738185 -0.227841 -0.457043
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C3 C -0.26782 -0.111029 -0.195618
C4 C -0.275955 -0.122391 -0.197279
C5 C -0.28262 -0.109726 -0.193932
C6 C -0.281175 -0.085314 -0.188683
C8 C -0.28783 -0.0721535 -0.185106
C9 C -0.286283 -0.047411 -0.179946
C10 C -0.277986 -0.0364163 -0.178081
O O -0.281849 0.0023678 -0.172844
C C -0.275859 -0.0117656 -0.173432
N11 N -0.271879 -0.0499256 -0.182117
C7 C -0.273055 -0.0738238 -0.187188
N N -0.25848 -0.0733649 -0.188874
OB O -0.295626 -0.0848735 -0.186831
CG C -0.303779 -0.0750903 -0.185988
CD C -0.308922 -0.096584 -0.182283
CE2 C -0.319052 -0.0906186 -0.186856
CE1 C -0.303954 -0.105027 -0.163724
ZN Zn -0.157829 -0.00418494 -0.27536
O1 O -0.248958 -0.10187 -0.192553
C2 C -0.251428 -0.0803765 -0.192783
C4 C -0.237729 -0.0641874 -0.196538
C5 C -0.238614 -0.0573227 -0.214586
C6 C -0.237658 -0.0294965 -0.215928
C7 C -0.231862 -0.0236412 -0.226389
C8 C -0.233997 -0.0277895 -0.256558
C9 C -0.23778 -0.0422899 -0.271094
N3 N -0.246712 -0.0614342 -0.195721
O7 O -0.236573 -0.0333877 -0.243338
C13 C -0.227904 -0.00875533 -0.256252
C10 C -0.235465 -0.0377746 -0.285119
C11 C -0.229386 -0.0190158 -0.284787
C12 C -0.225598 -0.00418494 -0.270379
C14 C -0.219373 0.0145372 -0.269651
N15 N -0.210795 0.00394632 -0.2702
C16 C -0.209485 0.00317541 -0.285247
O17 O -0.215395 0.0118023 -0.298441
C18 C -0.201111 -0.00638754 -0.285413
C19 C -0.194136 -0.0161708 -0.271209
C20 C -0.186012 -0.0252381 -0.271643
C21 C -0.184523 -0.0248343 -0.286677
S24 S -0.174291 -0.0363245 -0.287111
O27 O -0.173507 -0.025385 -0.303269
O25 O -0.174922 -0.0646096 -0.288274
N26 N -0.165842 -0.0319928 -0.269523
C22 C -0.19131 -0.0151796 -0.301187
C23 C -0.199437 -0.00614893 -0.300587
O O -0.228085 -0.0238431 -0.159343
C C -0.235329 -0.0233109 -0.157031
C10 C -0.239871 -0.00121143 -0.158296
N11 N -0.249049 -0.00143169 -0.162013
C7 C -0.253956 0.0195114 -0.162971
C2 C -0.263381 0.0178594 -0.166573
N N -0.267155 -0.0053413 -0.169817
C9 C -0.235154 0.0211266 -0.155179
C8 C -0.24 0.0431159 -0.156214
C6 C -0.249444 0.0422349 -0.160058
C5 C -0.254412 0.0637836 -0.161042
C4 C -0.26376 0.0623519 -0.164938
C3 C -0.268226 0.0397753 -0.167876
OB O -0.235777 0.0657293 -0.153659
CG C -0.226849 0.0702629 -0.153583
CD C -0.226356 0.0966207 -0.159139
CE C -0.220643 0.112663 -0.144156
OB O -0.24457 -0.145684 -0.135266
C8 C -0.246399 -0.121675 -0.138204
C9 C -0.253981 -0.11158 -0.136275
C10 C -0.255476 -0.0865071 -0.138906
C C -0.262931 -0.0743561 -0.137399
O O -0.269972 -0.085571 -0.139609
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C7 C -0.242167 -0.0822855 -0.145548
C6 C -0.240349 -0.107413 -0.142879
C5 C -0.232609 -0.117142 -0.144769
C4 C -0.22685 -0.101778 -0.149482
C3 C -0.228697 -0.076779 -0.15196
C2 C -0.236447 -0.0665736 -0.1503
N N -0.239235 -0.0425652 -0.152548
O O -0.240328 0.0442172 -0.118176
C C -0.242862 0.0230906 -0.118137
C10 C -0.252153 0.0189424 -0.121395
N11 N -0.255681 -0.00409317 -0.12515
C7 C -0.264616 -0.00959967 -0.12842
C2 C -0.267775 -0.033865 -0.132009
N N -0.26159 -0.050568 -0.133082
C9 C -0.2579 0.0379765 -0.120756
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#END
