63
Structure_01
O	4.981617	0.947027	-1.425817
P	3.690455	0.604007	-0.818587
O	3.566538	0.415045	0.676072
O	2.534046	1.682480	-1.248330
C	2.699265	2.982641	-0.714100
C	1.623669	3.343414	0.283972
O	0.402632	3.683349	-0.382636
C	1.237689	2.244534	1.270670
O	2.138849	2.081330	2.318868
C	-0.143249	2.711572	1.686020
C	-0.696518	3.224390	0.360302
N	-1.368947	2.181493	-0.404995
C	-0.779991	1.232813	-1.197653
N	-1.627340	0.370428	-1.692900
C	-2.845865	0.774115	-1.204085
C	-4.145375	0.271246	-1.344780
N	-4.416339	-0.840872	-2.063500
N	-5.149580	0.918484	-0.746780
C	-4.867759	2.001119	-0.020010
N	-3.689459	2.558827	0.217703
C	-2.708845	1.904562	-0.402357
H	-5.350694	-1.202301	-1.993793
H	-3.666562	-1.490199	-2.258812
H	3.672383	3.076160	-0.221296
H	2.677972	3.700079	-1.539121
H	1.971787	4.214873	0.856465
H	1.143272	1.307403	0.712673
H	2.836312	1.509000	1.942485
H	-0.769222	1.935222	2.122114
H	-0.053856	3.536476	2.397252
H	-1.433988	4.019524	0.485616
H	0.284051	1.251293	-1.390479
H	-5.723462	2.481826	0.445234
O	2.884851	-1.880531	1.871717
C	3.448966	-2.699258	0.883809
C	2.632047	-2.777021	-0.389601
O	1.463307	-3.585587	-0.202206
C	2.087001	-1.452510	-0.910167
O	3.068093	-0.694982	-1.565246
C	0.948950	-1.934885	-1.790002
C	0.387286	-3.057507	-0.927308
N	-0.643145	-2.580214	0.023852
C	-1.948432	-2.591488	-0.397779
O	-2.303385	-2.999802	-1.493130
N	-2.840689	-2.113926	0.526069
C	-2.576175	-1.546862	1.771350
O	-3.488820	-1.122604	2.453970
C	-1.172380	-1.545720	2.122919
C	-0.760925	-0.987679	3.442347
C	-0.292740	-2.069340	1.246108
H	-3.802182	-2.085178	0.222887
H	4.449619	-2.344235	0.607058
H	3.552140	-3.709530	1.290697
H	3.255139	-3.225704	-1.176050
H	1.680070	-0.886496	-0.068354
H	0.194379	-1.190556	-2.034712
H	1.355148	-2.351514	-2.714867
H	-0.100549	-3.837604	-1.509324
H	-1.138460	0.029511	3.565237
H	-1.181185	-1.574024	4.263586
H	0.324858	-0.972338	3.534992
H	0.764180	-2.121372	1.484930
H	3.108993	-0.964591	1.594233
63
Structure_02
O	-4.574143	-2.523456	-0.712503
P	-3.468767	-1.638941	-0.319697
O	-2.988561	-1.589667	1.111503
O	-2.150788	-1.898170	-1.256484
C	-1.812566	-3.249831	-1.505480
C	-0.623555	-3.738151	-0.709089
O	0.603374	-3.378437	-1.353345
C	-0.463457	-3.184753	0.704212
O	-1.354482	-3.696890	1.640285
C	0.985819	-3.545903	0.968146
C	1.627331	-3.288432	-0.394051
N	2.233464	-1.969721	-0.488089
C	1.624548	-0.771727	-0.751675
N	2.430981	0.252462	-0.663824
C	3.642247	-0.298314	-0.312831
C	4.906929	0.248492	-0.031337
N	5.161723	1.566202	-0.070218
N	5.905710	-0.591167	0.278056
C	5.656585	-1.898335	0.324094
N	4.513865	-2.535407	0.113873
C	3.539211	-1.682416	-0.204230
H	6.051633	1.850705	0.298236
H	4.396677	2.232565	-0.028197
H	-2.673881	-3.887071	-1.287288
H	-1.583200	-3.350178	-2.570165
H	-0.689403	-4.834829	-0.649689
H	-0.565733	-2.095626	0.641224
H	-2.107714	-3.070873	1.632657
H	1.456677	-2.967621	1.761306
H	1.050348	-4.606404	1.223521
H	2.432954	-3.992549	-0.616351
H	0.579951	-0.731859	-1.023546
H	6.508447	-2.523831	0.578124
O	-2.405280	0.649397	2.483850
C	-3.636823	1.216288	2.125376
C	-3.663749	1.773624	0.715654
O	-2.972156	3.028194	0.653582
C	-2.981196	0.916461	-0.342292
O	-3.800345	-0.125709	-0.794723
C	-2.669013	1.947487	-1.409294
C	-2.293447	3.155311	-0.561720
N	-0.840803	3.229791	-0.293937
C	-0.080282	3.892943	-1.226829
O	-0.536524	4.396526	-2.235230
N	1.256300	3.947606	-0.915536
C	1.901842	3.392348	0.174243
O	3.110301	3.548322	0.300576
C	1.037384	2.683214	1.085775
C	1.637752	2.009070	2.270089
C	-0.281861	2.641801	0.807947
H	1.837437	4.419341	-1.590882
H	-4.439675	0.473854	2.199742
H	-3.860281	2.030047	2.821796
H	-4.709154	1.928694	0.415697
H	-2.049147	0.522290	0.072753
H	-1.880466	1.656530	-2.100192
H	-3.574891	2.159798	-1.981105
H	-2.543109	4.100208	-1.043179
H	0.864774	1.537499	2.877026
H	2.345481	1.241849	1.947909
H	2.192407	2.719671	2.887154
H	-0.980235	2.126616	1.458643
H	-2.430423	-0.249018	2.087657
63
Structure_03
O	0.368823	-3.695317	0.831763
P	-0.306429	-2.375335	0.792061
O	-0.316297	-1.429416	1.937532
O	0.247403	-1.499342	-0.468739
C	0.633773	-2.192869	-1.639014
C	2.133810	-2.311848	-1.766010
O	2.706965	-1.055941	-2.140149
C	2.880182	-2.721265	-0.497816
O	2.816411	-4.080241	-0.215150
C	4.271469	-2.213959	-0.821082
C	3.962658	-0.901557	-1.533098
N	3.908733	0.242143	-0.629578
C	2.848884	0.684414	0.125241
N	3.129633	1.740509	0.842049
C	4.443033	2.006247	0.548921
C	5.335361	2.988535	0.990135
N	4.958469	3.958073	1.855232
N	6.587227	2.981391	0.526191
C	6.930046	2.037154	-0.353354
N	6.190208	1.057663	-0.851465
C	4.949142	1.086464	-0.364025
H	5.683350	4.498545	2.290075
H	4.084878	3.841287	2.336510
H	0.210959	-3.201429	-1.648657
H	0.243811	-1.642784	-2.500031
H	2.349726	-3.055319	-2.546931
H	2.477681	-2.137400	0.338553
H	1.949062	-4.185836	0.232529
H	4.912252	-2.074278	0.047761
H	4.759471	-2.906249	-1.511925
H	4.717678	-0.642231	-2.278616
H	1.890191	0.185196	0.090347
H	7.958354	2.080444	-0.701433
O	-2.450524	-0.106393	2.837521
C	-3.206853	-1.285219	2.869762
C	-3.726582	-1.715697	1.511731
O	-4.828389	-0.891407	1.106187
C	-2.733596	-1.604625	0.362280
O	-1.838862	-2.684654	0.317837
C	-3.664566	-1.521421	-0.831493
C	-4.789068	-0.658659	-0.271853
N	-4.572467	0.784617	-0.510869
C	-5.078700	1.302095	-1.680003
O	-5.679096	0.640133	-2.505873
N	-4.848130	2.646175	-1.839972
C	-4.152783	3.510947	-0.996832
O	-4.036931	4.685699	-1.293063
C	-3.628620	2.872179	0.192286
C	-2.849827	3.691952	1.163359
C	-3.868843	1.557998	0.374451
H	-5.214078	3.046932	-2.689558
H	-2.613694	-2.115466	3.270676
H	-4.064647	-1.130401	3.531532
H	-4.068589	-2.757803	1.578077
H	-2.186175	-0.662902	0.461085
H	-3.214125	-1.094245	-1.725469
H	-4.043483	-2.517944	-1.069576
H	-5.754314	-0.880335	-0.725171
H	-2.525308	3.082957	2.007045
H	-1.968511	4.124779	0.684587
H	-3.447383	4.528097	1.534514
H	-3.510692	1.039552	1.258083
H	-1.555254	-0.397346	2.549504
63
Structure_04
O	1.183186	-3.208238	0.450391
P	-0.037008	-2.728181	-0.250371
O	-0.551473	-3.415637	-1.462225
O	-1.260845	-2.591010	0.828153
C	-2.383699	-3.440677	0.724145
C	-3.550540	-2.810819	0.000724
O	-4.169024	-1.795422	0.801193
C	-3.230750	-2.121530	-1.323543
O	-3.040227	-2.995949	-2.385933
C	-4.439623	-1.216617	-1.459773
C	-4.626235	-0.754365	-0.019821
N	-3.854775	0.448957	0.282630
C	-2.552596	0.516485	0.701478
N	-2.111434	1.740398	0.834725
C	-3.182597	2.522272	0.479565
C	-3.363148	3.906467	0.392605
N	-2.384915	4.777897	0.729132
N	-4.543763	4.379303	-0.013544
C	-5.507714	3.505433	-0.312099
N	-5.470034	2.181507	-0.273871
C	-4.278828	1.738958	0.129208
H	-1.454722	4.417807	0.845439
H	-2.500043	5.734059	0.447139
H	-2.123746	-4.358952	0.190882
H	-2.691102	-3.701574	1.740463
H	-4.283498	-3.606578	-0.197172
H	-2.341523	-1.496342	-1.180816
H	-2.108546	-3.287549	-2.277120
H	-4.305107	-0.384932	-2.149199
H	-5.304470	-1.804348	-1.778012
H	-5.663156	-0.507559	0.217817
H	-1.986170	-0.383756	0.890963
H	-6.447576	3.945170	-0.633880
O	2.518597	-1.690101	2.199575
C	1.406632	-0.862496	2.417148
C	1.139809	0.115462	1.290549
O	2.105821	1.180031	1.323182
C	1.265149	-0.445704	-0.124952
O	0.133781	-1.140134	-0.580314
C	1.523372	0.819856	-0.917710
C	2.439615	1.581256	0.029566
N	3.873262	1.289571	-0.207409
C	4.526215	2.080968	-1.122335
O	3.992533	2.987664	-1.733185
N	5.851242	1.759390	-1.292254
C	6.578036	0.738645	-0.683787
O	7.755637	0.585527	-0.954136
C	5.803700	-0.055104	0.246068
C	6.470616	-1.184039	0.955114
C	4.506339	0.261588	0.436991
H	6.349302	2.329021	-1.958361
H	0.497004	-1.458272	2.559898
H	1.577916	-0.288269	3.332434
H	0.143544	0.554569	1.418117
H	2.137394	-1.102813	-0.168227
H	1.970375	0.657228	-1.896471
H	0.584853	1.365195	-1.039527
H	2.348649	2.661814	-0.074787
H	5.767210	-1.691670	1.615200
H	6.868989	-1.908767	0.241196
H	7.319094	-0.827753	1.544502
H	3.887647	-0.295703	1.133374
H	2.189318	-2.386557	1.587383
63
Structure_05
O	-1.267397	-4.534568	0.105831
P	-1.229628	-3.066084	0.215802
O	-0.965069	-2.344371	1.499167
O	-0.136098	-2.449003	-0.832917
C	0.565467	-3.273359	-1.737141
C	2.022034	-3.396831	-1.339523
O	2.688812	-2.142721	-1.468791
C	2.232195	-3.845815	0.102035
O	3.413616	-4.641359	0.129669
C	2.407526	-2.527009	0.834142
C	3.083232	-1.645027	-0.210193
N	2.727798	-0.247833	-0.118163
C	1.477064	0.299120	-0.254699
N	1.468908	1.601300	-0.174898
C	2.786978	1.938347	0.031362
C	3.439946	3.166672	0.226428
N	2.795468	4.340440	0.241012
N	4.769395	3.155768	0.408924
C	5.404831	1.985111	0.403040
N	4.909170	0.766237	0.245043
C	3.588693	0.801778	0.062486
H	1.788579	4.407712	0.137309
H	3.337489	5.166234	0.411721
H	0.112643	-4.268347	-1.769752
H	0.510564	-2.815733	-2.729350
H	2.508693	-4.110459	-2.012514
H	1.370402	-4.413411	0.465825
H	3.560616	-4.907314	1.038258
H	1.431300	-2.128061	1.112999
H	3.012930	-2.626509	1.736191
H	4.172926	-1.670007	-0.126174
H	0.619433	-0.336833	-0.419078
H	6.480080	2.042467	0.552813
O	-2.529663	-0.496975	2.618285
C	-3.733855	-1.073091	2.198166
C	-4.034490	-0.872953	0.725758
O	-4.428693	0.480393	0.449755
C	-2.861845	-1.111233	-0.212547
O	-2.613757	-2.473382	-0.422158
C	-3.295291	-0.331337	-1.437391
C	-3.902055	0.899068	-0.775512
N	-2.886764	1.953798	-0.537557
C	-2.592995	2.767028	-1.604181
O	-3.136623	2.677421	-2.689196
N	-1.624063	3.704307	-1.339186
C	-0.904739	3.882431	-0.169287
O	-0.053390	4.761921	-0.116128
C	-1.272697	2.987089	0.898720
C	-0.545267	3.072001	2.195050
C	-2.235128	2.073199	0.660053
H	-1.372692	4.295537	-2.116063
H	-3.735643	-2.155634	2.379524
H	-4.549476	-0.634535	2.781595
H	-4.856256	-1.545025	0.441909
H	-1.980636	-0.627094	0.218301
H	-2.489434	-0.082991	-2.124751
H	-4.066994	-0.882512	-1.979770
H	-4.676073	1.370910	-1.379874
H	-0.942559	2.346778	2.905180
H	0.515047	2.861094	2.041125
H	-0.620767	4.073895	2.624442
H	-2.531320	1.358238	1.419086
H	-1.825347	-1.115254	2.309058
63
Structure_06
O	0.194468	-4.319860	0.272996
P	-0.310979	-2.927059	0.323156
O	-0.025422	-2.024288	1.479629
O	0.178685	-2.105947	-0.996367
C	0.981653	-2.739493	-1.968187
C	2.457766	-2.604780	-1.672090
O	2.895601	-1.266990	-1.897663
C	2.867828	-2.927017	-0.236437
O	2.976533	-4.291928	0.024627
C	4.166642	-2.153263	-0.128064
C	3.855259	-0.896075	-0.936192
N	3.345651	0.218080	-0.150655
C	2.154307	0.323118	0.533293
N	1.954030	1.508201	1.043251
C	3.061500	2.229324	0.673665
C	3.433352	3.562086	0.871764
N	2.669716	4.417394	1.592810
N	4.583826	3.996247	0.351378
C	5.330935	3.130460	-0.336951
N	5.094581	1.853361	-0.599092
C	3.937864	1.450553	-0.073811
H	2.863222	5.397150	1.490578
H	1.723449	4.139477	1.786467
H	0.740859	-3.804339	-2.030227
H	0.763572	-2.266952	-2.929180
H	3.001758	-3.286356	-2.342921
H	2.148072	-2.472708	0.451273
H	2.058531	-4.574985	0.203932
H	4.466136	-1.929878	0.894461
H	4.967494	-2.714267	-0.616739
H	4.738874	-0.490796	-1.433105
H	1.460875	-0.503322	0.620959
H	6.256393	3.534295	-0.738179
O	-1.787997	-0.434119	2.708253
C	-2.758407	-1.441854	2.764063
C	-3.471708	-1.678442	1.447778
O	-4.383198	-0.608734	1.163948
C	-2.577191	-1.733279	0.218495
O	-1.918901	-2.967566	0.080159
C	-3.562153	-1.407080	-0.885515
C	-4.403268	-0.330698	-0.207652
N	-3.872220	1.030370	-0.435833
C	-4.344867	1.701137	-1.539469
O	-5.172895	1.242847	-2.304802
N	-3.798681	2.949263	-1.708922
C	-2.817701	3.575969	-0.942609
O	-2.435602	4.692478	-1.240880
C	-2.353192	2.782173	0.175641
C	-1.282261	3.336846	1.051587
C	-2.906612	1.568985	0.375335
H	-4.134507	3.459729	-2.510723
H	-2.313361	-2.396906	3.069008
H	-3.504850	-1.162429	3.513950
H	-4.035083	-2.619824	1.516350
H	-1.845523	-0.924414	0.289038
H	-3.101669	-1.061382	-1.808831
H	-4.179715	-2.281603	-1.102900
H	-5.427537	-0.301994	-0.576017
H	-1.007747	2.623037	1.827555
H	-0.389493	3.555616	0.461025
H	-1.603209	4.274799	1.512363
H	-2.609805	0.950074	1.216240
H	-0.998997	-0.865701	2.310672
63
Structure_07
O	5.327034	-0.541206	-1.396960
P	4.022201	-0.441602	-0.732414
O	3.918445	-0.469251	0.773545
O	3.214187	0.897399	-1.232944
C	3.771090	2.125798	-0.804326
C	2.898965	2.845620	0.199662
O	1.794578	3.488267	-0.448852
C	2.266240	1.964709	1.272732
O	3.134142	1.631460	2.307730
C	1.082157	2.813854	1.687825
C	0.644430	3.389958	0.346879
N	-0.320635	2.542883	-0.348347
C	-0.054417	1.519574	-1.219226
N	-1.130977	0.942271	-1.686758
C	-2.162971	1.624064	-1.091606
C	-3.553523	1.490842	-1.160509
N	-4.147519	0.580889	-1.967714
N	-4.313520	2.304672	-0.420964
C	-3.709418	3.222212	0.337152
N	-2.413962	3.455920	0.487585
C	-1.680854	2.622088	-0.250302
H	-3.560095	-0.171339	-2.289180
H	-5.084659	0.319159	-1.710800
H	4.755580	1.965611	-0.352968
H	3.911593	2.764981	-1.680564
H	3.512023	3.610769	0.695894
H	1.895173	1.057353	0.784622
H	3.630221	0.864420	1.958706
H	0.285704	2.260360	2.182712
H	1.418564	3.619467	2.345256
H	0.162917	4.365440	0.443121
H	0.963247	1.255701	-1.472466
H	-4.376188	3.860291	0.911170
O	2.343980	-2.130323	2.203452
C	2.705550	-3.218378	1.396924
C	1.989493	-3.250474	0.060832
O	0.644781	-3.707177	0.229661
C	1.855444	-1.904840	-0.644320
O	3.016281	-1.552578	-1.350489
C	0.645951	-2.147602	-1.527933
C	-0.225706	-3.007533	-0.619770
N	-1.157879	-2.234801	0.193720
C	-0.875190	-1.450991	1.284812
N	-1.927992	-0.866244	1.793229
C	-2.964310	-1.298299	1.004212
C	-4.337387	-1.033851	1.012894
N	-4.901337	-0.197493	1.917185
N	-5.116427	-1.638633	0.110390
C	-4.541589	-2.454726	-0.775776
N	-3.259214	-2.755354	-0.919014
C	-2.507818	-2.154195	0.005140
H	-5.792996	0.186645	1.655687
H	-4.269172	0.429632	2.385598
H	3.783359	-3.210072	1.195458
H	2.467329	-4.141102	1.934005
H	2.521834	-3.938222	-0.611125
H	1.619300	-1.139793	0.098939
H	0.133962	-1.246943	-1.862083
H	0.953120	-2.731131	-2.398870
H	-0.854838	-3.703478	-1.178345
H	0.128813	-1.398744	1.686527
H	-5.220662	-2.923099	-1.483444
H	2.884827	-1.390359	1.860252
63
Structure_08
O	-5.307321	0.135977	-1.690055
P	-4.095707	0.146225	-0.864900
O	-4.172929	0.206762	0.642951
O	-3.131440	-1.137239	-1.213339
C	-3.567916	-2.368900	-0.668149
C	-2.625695	-2.905712	0.387328
O	-1.498448	-3.549940	-0.221506
C	-2.017992	-1.864086	1.323630
O	-2.862204	-1.435074	2.339056
C	-0.777038	-2.592490	1.799940
C	-0.337921	-3.299541	0.523065
N	0.561607	-2.485372	-0.289667
C	0.215627	-1.545566	-1.223914
N	1.244466	-0.933903	-1.751884
C	2.328075	-1.505299	-1.133011
C	3.704325	-1.270919	-1.220703
N	4.223807	-0.348451	-2.065076
N	4.527856	-1.991587	-0.453905
C	3.998090	-2.903329	0.364766
N	2.723452	-3.207160	0.558174
C	1.925619	-2.473240	-0.217462
H	3.580119	0.341497	-2.415857
H	5.142537	-0.012096	-1.830071
H	-4.558944	-2.260673	-0.217407
H	-3.648224	-3.098340	-1.478879
H	-3.170948	-3.643414	0.991823
H	-1.705825	-1.016938	0.702401
H	-3.469496	-0.799643	1.899673
H	0.000267	-1.944543	2.203105
H	-1.053671	-3.329954	2.557477
H	0.201413	-4.229049	0.716890
H	-0.820758	-1.368035	-1.477218
H	4.715084	-3.465333	0.957617
O	-4.140754	2.707503	1.584656
C	-2.760919	2.886177	1.582836
C	-2.166620	2.987490	0.185281
O	-0.837981	3.511020	0.316945
C	-1.995282	1.683713	-0.598944
O	-3.113660	1.330095	-1.370020
C	-0.794974	2.003738	-1.474190
C	0.049420	2.878785	-0.564945
N	1.045235	2.132424	0.200865
C	0.837347	1.232251	1.212465
N	1.934627	0.726263	1.706615
C	2.931351	1.330493	0.981462
C	4.324797	1.208869	1.001205
N	4.961341	0.388454	1.869901
N	5.045838	1.939087	0.145307
C	4.400011	2.750760	-0.694994
N	3.096002	2.941088	-0.830150
C	2.400380	2.206805	0.038669
H	4.393669	-0.330173	2.287007
H	5.890936	0.113961	1.602047
H	-2.538813	3.824629	2.099984
H	-2.238901	2.085629	2.131603
H	-2.780828	3.671842	-0.412874
H	-1.755906	0.878316	0.101790
H	-0.253325	1.134995	-1.842869
H	-1.143254	2.592444	-2.325475
H	0.630980	3.622615	-1.112784
H	-0.156531	1.002955	1.564102
H	5.034850	3.323554	-1.365720
H	-4.314663	1.793666	1.270350
63
Structure_09
O	2.576748	-3.895975	0.288389
P	2.724902	-2.479415	0.720635
O	3.581568	-2.121715	1.879771
O	3.150337	-1.555081	-0.557819
C	4.494901	-1.159086	-0.711777
C	4.733171	0.270149	-0.288722
O	4.122598	1.189121	-1.201959
C	4.181241	0.661263	1.079196
O	4.931851	0.191796	2.150408
C	4.137944	2.169272	0.933246
C	3.637170	2.303712	-0.500655
N	2.179092	2.312095	-0.573001
C	1.335926	1.232576	-0.612550
N	0.072114	1.561635	-0.560050
C	0.080410	2.932311	-0.475739
C	-0.938199	3.889796	-0.373841
N	-2.241265	3.559271	-0.349760
N	-0.594532	5.183194	-0.314806
C	0.699582	5.501547	-0.343964
N	1.753084	4.700690	-0.417566
C	1.383389	3.420604	-0.484452
H	-2.526748	2.602570	-0.174203
H	-2.888661	4.301056	-0.155884
H	5.160669	-1.793181	-0.118643
H	4.756497	-1.274488	-1.767079
H	5.820481	0.437553	-0.281304
H	3.153782	0.287598	1.151447
H	4.587865	-0.717870	2.281401
H	3.490048	2.674405	1.647529
H	5.147767	2.579338	1.017398
H	3.962401	3.228045	-0.982204
H	1.723168	0.226899	-0.685476
H	0.915518	6.565566	-0.293854
O	1.181387	-4.391628	-1.928390
C	-0.097777	-3.901764	-1.696232
C	-0.125644	-2.542035	-1.012023
O	-1.427352	-1.995516	-1.217606
C	0.105644	-2.574688	0.517688
O	1.242619	-1.845180	0.933438
C	-1.149499	-1.927664	1.094094
C	-1.797302	-1.232647	-0.100510
N	-3.248202	-1.241794	-0.054342
C	-4.032904	-2.352164	-0.214023
N	-5.310295	-2.127925	-0.066849
C	-5.372673	-0.786138	0.213341
C	-6.447413	0.067975	0.479647
N	-7.720879	-0.380762	0.530435
N	-6.205062	1.358400	0.716758
C	-4.939321	1.773673	0.686379
N	-3.837973	1.076470	0.447231
C	-4.102449	-0.211467	0.217917
H	-7.912774	-1.300608	0.177848
H	-8.455488	0.302556	0.539842
H	-0.598849	-3.791981	-2.663238
H	-0.712642	-4.597109	-1.095114
H	0.630212	-1.893452	-1.468226
H	0.212087	-3.607988	0.853674
H	-1.829742	-2.689046	1.480110
H	-0.900279	-1.239743	1.899715
H	-1.474290	-0.190695	-0.195677
H	-3.587001	-3.301917	-0.464785
H	-4.796010	2.832196	0.885614
H	1.730642	-4.275325	-1.116723
63
Structure_10
O	3.755117	-3.667929	-1.225622
P	2.915179	-2.670689	-0.550119
O	3.148010	-2.302083	0.893794
O	2.906964	-1.259998	-1.396211
C	4.189095	-0.712843	-1.650140
C	4.487083	0.528859	-0.840603
O	3.871304	1.685553	-1.429971
C	3.995759	0.527951	0.605028
O	4.778551	-0.220754	1.475318
C	3.973224	2.017518	0.891449
C	3.434010	2.559045	-0.425505
N	1.972602	2.588859	-0.448078
C	1.137059	1.584200	-0.845024
N	-0.127953	1.866500	-0.672752
C	-0.129509	3.128164	-0.126325
C	-1.149864	3.991026	0.308096
N	-2.459482	3.695765	0.235433
N	-0.795741	5.182515	0.810639
C	0.496837	5.495581	0.879710
N	1.548553	4.774426	0.518196
C	1.174548	3.595721	0.020432
H	-3.076088	4.329929	0.710662
H	-2.796509	2.757291	0.042159
H	4.961224	-1.460710	-1.445754
H	4.249269	-0.463483	-2.713506
H	5.576183	0.675252	-0.838616
H	2.969523	0.145962	0.609072
H	4.375085	-1.113214	1.445334
H	3.358010	2.303798	1.742746
H	4.992272	2.377675	1.053929
H	3.758181	3.580085	-0.636885
H	1.528364	0.664970	-1.257730
H	0.714142	6.476023	1.295112
O	1.522772	-3.429614	2.676552
C	0.353498	-2.712428	2.445102
C	-0.281876	-3.017022	1.096918
O	-1.617445	-2.525950	1.133566
C	0.326298	-2.335656	-0.132539
O	1.362498	-3.071626	-0.733105
C	-0.864332	-2.250600	-1.087127
C	-2.094572	-2.380190	-0.181826
N	-2.984579	-1.242506	-0.218162
C	-2.625945	0.071875	-0.144601
N	-3.644640	0.891631	-0.133227
C	-4.744294	0.066482	-0.194695
C	-6.120276	0.308189	-0.242814
N	-6.637322	1.560826	-0.185057
N	-6.955039	-0.728629	-0.323454
C	-6.437009	-1.958624	-0.353995
N	-5.163913	-2.321611	-0.323173
C	-4.354500	-1.269364	-0.244384
H	-6.018889	2.328674	-0.374562
H	-7.602208	1.660356	-0.445093
H	-0.371992	-2.989785	3.216022
H	0.505095	-1.624013	2.518562
H	-0.266264	-4.104098	0.934660
H	0.672996	-1.336645	0.152677
H	-0.872307	-1.335233	-1.676864
H	-0.807117	-3.092884	-1.776288
H	-2.717055	-3.237254	-0.456475
H	-1.593326	0.398223	-0.141857
H	-7.161103	-2.765578	-0.417845
H	2.213845	-3.077520	2.072245
63
Structure_11
O	0.897314	-3.785460	0.178701
P	0.122805	-2.559212	0.491749
O	0.117728	-1.916689	1.830058
O	0.522210	-1.365475	-0.548588
C	0.814873	-1.729243	-1.883215
C	2.296378	-1.710709	-2.174457
O	2.770122	-0.365420	-2.286636
C	3.192299	-2.354743	-1.118523
O	3.218041	-3.742972	-1.165929
C	4.517327	-1.692965	-1.441231
C	4.077215	-0.274212	-1.785095
N	4.074872	0.619786	-0.632514
C	3.085671	0.802015	0.303899
N	3.400428	1.673712	1.225417
C	4.663236	2.084394	0.882252
C	5.558919	2.988013	1.462371
N	5.239094	3.698503	2.569214
N	6.753117	3.171134	0.894361
C	7.036136	2.486605	-0.216637
N	6.285882	1.608425	-0.865242
C	5.103941	1.441465	-0.270289
H	4.430784	3.408671	3.090223
H	5.987841	4.156781	3.055295
H	0.439192	-2.732909	-2.102047
H	0.311337	-1.018104	-2.544369
H	2.460286	-2.232191	-3.128651
H	2.856381	-2.012069	-0.132606
H	2.410008	-4.007942	-0.673908
H	5.242067	-1.717635	-0.629319
H	4.956837	-2.169859	-2.321076
H	4.734469	0.202386	-2.515944
H	2.148732	0.265546	0.239628
H	8.018752	2.676619	-0.639530
O	-2.069956	-1.045199	3.115162
C	-2.716774	-2.268562	2.903895
C	-3.286318	-2.428965	1.506821
O	-4.489814	-1.663434	1.359225
C	-2.387158	-1.943991	0.377210
O	-1.408564	-2.887019	0.026774
C	-3.398996	-1.672509	-0.718434
C	-4.553394	-1.086838	0.085068
N	-4.468836	0.364294	0.221872
C	-3.801404	1.085003	1.181684
N	-3.902848	2.378761	1.020008
C	-4.673784	2.517181	-0.106675
C	-5.131702	3.632096	-0.815612
N	-4.867962	4.896971	-0.408124
N	-5.869647	3.444229	-1.911801
C	-6.146672	2.191596	-2.281536
N	-5.777240	1.055967	-1.708015
C	-5.037307	1.275936	-0.620831
H	-5.020036	5.630982	-1.075872
H	-4.142187	5.018027	0.275824
H	-2.029460	-3.105864	3.074177
H	-3.540126	-2.354824	3.619783
H	-3.517418	-3.489923	1.338052
H	-1.920424	-1.002513	0.680269
H	-3.047390	-0.998916	-1.498034
H	-3.704696	-2.616736	-1.174912
H	-5.525092	-1.279835	-0.374880
H	-3.264474	0.583107	1.977485
H	-6.753325	2.096638	-3.177763
H	-1.173705	-1.169803	2.731583
63
Structure_12
O	0.487183	-3.566893	0.540944
P	-0.577710	-2.879040	-0.234173
O	-1.075777	-3.431771	-1.520332
O	-1.863587	-2.599322	0.740913
C	-3.082873	-3.267400	0.497885
C	-4.074319	-2.443520	-0.289647
O	-4.612313	-1.380178	0.507063
C	-3.536336	-1.756868	-1.542827
O	-3.375299	-2.606691	-2.629692
C	-4.583890	-0.677737	-1.734670
C	-4.835487	-0.250870	-0.293695
N	-3.930496	0.811762	0.138352
C	-2.676304	0.669134	0.670289
N	-2.080036	1.808264	0.909577
C	-2.991586	2.753298	0.509007
C	-2.965142	4.151426	0.487251
N	-1.909255	4.853718	0.957557
N	-4.023209	4.810055	0.008479
C	-5.069321	4.100894	-0.421544
N	-5.224150	2.785440	-0.455565
C	-4.150697	2.155353	0.022258
H	-1.056148	4.355977	1.138665
H	-1.860717	5.828967	0.726606
H	-2.911094	-4.193358	-0.057436
H	-3.517931	-3.518079	1.469254
H	-4.892761	-3.113080	-0.592147
H	-2.583459	-1.276922	-1.290356
H	-2.510120	-3.038724	-2.454006
H	-4.266970	0.151614	-2.364669
H	-5.491052	-1.117250	-2.157297
H	-5.843542	0.137721	-0.134003
H	-2.263530	-0.311827	0.856763
H	-5.902869	4.687511	-0.797558
O	1.900272	-2.324184	2.456372
C	0.902043	-1.356403	2.635531
C	0.861191	-0.304271	1.544700
O	1.951557	0.616890	1.709125
C	1.028861	-0.822959	0.117505
O	-0.146329	-1.323825	-0.464894
C	1.530852	0.420264	-0.588263
C	2.460325	1.003467	0.466483
N	3.831345	0.508235	0.351081
C	4.365804	-0.621824	0.917214
N	5.625942	-0.805760	0.616239
C	5.935674	0.258947	-0.192206
C	7.106009	0.643194	-0.853317
N	8.257712	-0.062890	-0.738568
N	7.096406	1.750095	-1.598511
C	5.963396	2.453327	-1.671948
N	4.794184	2.204850	-1.101604
C	4.832783	1.089815	-0.371284
H	8.976653	0.128176	-1.412623
H	8.191191	-0.992199	-0.363169
H	-0.090650	-1.820842	2.683002
H	1.080360	-0.849260	3.588415
H	-0.076673	0.258866	1.616691
H	1.800284	-1.596875	0.112382
H	2.034395	0.229159	-1.534174
H	0.692577	1.100046	-0.756543
H	2.537613	2.091221	0.401760
H	3.761915	-1.260234	1.550786
H	6.012063	3.346791	-2.288086
H	1.525466	-2.943995	1.792740
63
Structure_13
O	4.407427	-2.673488	-0.717282
P	3.160277	-2.012842	-0.304670
O	3.030542	-1.385543	1.060329
O	2.731187	-0.869724	-1.402812
C	3.772926	-0.067121	-1.925121
C	3.836823	1.315562	-1.317371
O	2.873505	2.195416	-1.923341
C	3.535968	1.415896	0.175263
O	4.550372	0.953862	1.008498
C	3.224479	2.895737	0.289218
C	2.380903	3.090403	-0.963710
N	0.977453	2.772282	-0.702318
C	0.354617	1.560449	-0.856258
N	-0.843989	1.520063	-0.340997
C	-1.022111	2.770756	0.202075
C	-2.032707	3.348917	0.982975
N	-3.144877	2.669718	1.369060
N	-1.892466	4.621008	1.371595
C	-0.779741	5.275397	1.039791
N	0.273360	4.830110	0.370315
C	0.099959	3.568792	-0.023554
H	-3.070964	1.643847	1.412380
H	-3.636777	3.110921	2.129505
H	4.732337	-0.567704	-1.767409
H	3.615906	0.030074	-3.003416
H	4.842710	1.717117	-1.505473
H	2.621978	0.846056	0.364755
H	4.282363	0.042813	1.231282
H	2.692703	3.178155	1.195905
H	4.145116	3.480957	0.219561
H	2.401421	4.111846	-1.348970
H	0.853964	0.742688	-1.354928
H	-0.726506	6.305657	1.381125
O	0.895684	-1.693368	2.724075
C	1.001833	-3.082568	2.574755
C	0.402417	-3.605462	1.283564
O	-1.026589	-3.657664	1.379337
C	0.671802	-2.759097	0.045043
O	1.923382	-3.033741	-0.524638
C	-0.478534	-3.168661	-0.855163
C	-1.611770	-3.350689	0.146340
N	-2.418499	-2.144527	0.306447
C	-2.287227	-1.160348	1.243107
N	-3.151712	-0.191349	1.088116
C	-3.874637	-0.540605	-0.026896
C	-4.869481	0.102866	-0.776166
N	-5.340356	1.335871	-0.471753
N	-5.381967	-0.534200	-1.833829
C	-4.899996	-1.734345	-2.156317
N	-3.923079	-2.416787	-1.577177
C	-3.439764	-1.766633	-0.519649
H	-5.888632	1.766581	-1.196289
H	-4.736617	1.946615	0.064512
H	2.052009	-3.395321	2.599218
H	0.484119	-3.561763	3.411319
H	0.784752	-4.618945	1.099075
H	0.581360	-1.702077	0.310827
H	-0.720740	-2.446432	-1.632205
H	-0.238812	-4.124876	-1.324892
H	-2.310457	-4.134939	-0.155491
H	-1.519204	-1.213207	2.001927
H	-5.362198	-2.204150	-3.020052
H	1.640316	-1.338088	2.196699
61
Structure_14
O	4.960308	0.798667	-1.402000
P	3.670541	0.506592	-0.765340
O	3.558878	0.414260	0.739436
O	2.523900	1.573306	-1.251935
C	2.700385	2.896979	-0.785195
C	1.634517	3.315207	0.202319
O	0.412159	3.641580	-0.470345
C	1.242661	2.263606	1.236365
O	2.143762	2.141442	2.289454
C	-0.133416	2.755774	1.635904
C	-0.686251	3.217595	0.291919
N	-1.364251	2.148132	-0.430261
C	-0.800055	1.229299	-1.276776
N	-1.653249	0.349270	-1.727727
C	-2.847166	0.703103	-1.149390
C	-4.129814	0.135323	-1.186219
N	-4.416689	-0.966190	-1.908363
N	-5.102560	0.728496	-0.476998
C	-4.807083	1.817676	0.233772
N	-3.638634	2.425542	0.381766
C	-2.688603	1.822485	-0.337104
H	-3.648998	-1.616231	-2.044439
H	-5.279453	-1.409475	-1.639505
H	3.677735	3.009685	-0.304879
H	2.676730	3.572731	-1.644785
H	1.995707	4.206824	0.733970
H	1.138135	1.305372	0.716484
H	2.840536	1.553471	1.933237
H	-0.760779	1.997332	2.101937
H	-0.038338	3.607153	2.314586
H	-1.417556	4.022860	0.388627
H	0.251039	1.273734	-1.526084
H	-5.640679	2.255020	0.778103
O	2.830832	-1.778781	2.102784
C	3.411955	-2.652087	1.172437
C	2.600075	-2.822000	-0.094126
O	1.434135	-3.613541	0.156064
C	2.051184	-1.542476	-0.714266
O	3.029444	-0.828497	-1.423222
C	0.919689	-2.094895	-1.561650
C	0.359520	-3.154846	-0.620076
N	-0.682280	-2.600655	0.269774
C	-2.007987	-2.605206	-0.203354
O	-2.247394	-3.089079	-1.303949
N	-2.959040	-2.049472	0.583653
C	-2.630394	-1.424625	1.689873
N	-3.637047	-0.808751	2.366838
C	-1.304681	-1.398974	2.192830
C	-0.361645	-2.019025	1.440576
H	-4.466405	-0.639762	1.818483
H	-3.383990	-0.076896	3.006280
H	4.409766	-2.302717	0.879420
H	3.523907	-3.632882	1.644177
H	3.225569	-3.326680	-0.844410
H	1.638073	-0.917732	0.081939
H	0.163589	-1.372002	-1.861462
H	1.331289	-2.572625	-2.453725
H	-0.117760	-3.981169	-1.142725
H	-1.040195	-0.920829	3.124706
H	0.679855	-2.067696	1.742776
H	3.054818	-0.883300	1.769295
61
Structure_15
O	4.893319	0.752187	-1.749225
P	3.712236	0.502757	-0.917327
O	3.814481	0.453386	0.590600
O	2.517454	1.577379	-1.251016
C	2.706567	2.867066	-0.700311
C	1.679070	3.200858	0.359015
O	0.442457	3.605317	-0.243832
C	1.300074	2.054820	1.294182
O	2.218568	1.805102	2.306436
C	-0.061739	2.515878	1.773124
C	-0.641780	3.111356	0.494415
N	-1.342549	2.122225	-0.316878
C	-0.792215	1.257446	-1.227999
N	-1.661145	0.434414	-1.750985
C	-2.851426	0.774465	-1.158587
C	-4.144346	0.239337	-1.248612
N	-4.439232	-0.808760	-2.044737
N	-5.114876	0.804608	-0.515549
C	-4.804100	1.834331	0.274056
N	-3.623180	2.397487	0.484732
C	-2.675876	1.825727	-0.263059
H	-5.305634	-1.265231	-1.812855
H	-3.675316	-1.448254	-2.227186
H	3.700418	2.952683	-0.250755
H	2.640133	3.602717	-1.506645
H	2.066264	4.032319	0.963890
H	1.164390	1.160804	0.676245
H	2.936197	1.301692	1.861869
H	-0.684850	1.719209	2.177334
H	0.057547	3.296090	2.529075
H	-1.367234	3.904673	0.686260
H	0.260683	1.298429	-1.471356
H	-5.635876	2.254875	0.834123
O	4.440317	-1.992885	1.443300
C	3.128402	-2.449501	1.512069
C	2.493431	-2.678863	0.147297
O	1.317942	-3.481120	0.342084
C	1.992195	-1.455765	-0.624699
O	2.974379	-0.845825	-1.421580
C	0.882169	-2.062734	-1.468319
C	0.286648	-3.084881	-0.517159
N	-0.826014	-2.522772	0.281996
C	-2.123886	-2.583152	-0.266378
O	-2.278825	-3.077423	-1.374090
N	-3.140230	-2.068905	0.469217
C	-2.900302	-1.419173	1.582882
N	-3.967139	-0.861151	2.214907
C	-1.600863	-1.310583	2.145178
C	-0.599367	-1.901606	1.449989
H	-3.778798	-0.105575	2.849718
H	-4.776790	-0.734049	1.626954
H	3.128024	-3.410625	2.036063
H	2.492592	-1.761598	2.093324
H	3.209970	-3.216405	-0.485734
H	1.580211	-0.732436	0.087287
H	0.143113	-1.353778	-1.836103
H	1.335540	-2.574183	-2.320007
H	-0.140100	-3.946077	-1.028047
H	-1.408054	-0.807528	3.081269
H	0.422345	-1.912304	1.800694
H	4.395567	-1.055927	1.151652
61
Structure_16
O	5.342814	0.385347	-0.482198
P	3.914571	0.600403	-0.231369
O	3.331587	0.398354	1.148011
O	3.523291	2.083543	-0.751110
C	2.212114	2.457911	-1.089537
C	1.471100	3.158819	0.036279
O	0.319758	3.799465	-0.553033
C	0.925299	2.276718	1.170059
O	1.761421	2.170348	2.271634
C	-0.368424	2.992935	1.520693
C	-0.833117	3.491833	0.169948
N	-1.592485	2.460490	-0.552849
C	-1.234844	1.825260	-1.712208
N	-2.070703	0.894988	-2.084921
C	-3.046850	0.918877	-1.120549
C	-4.194581	0.138551	-0.910810
N	-4.544845	-0.867552	-1.738028
N	-4.965357	0.422940	0.149503
C	-4.599625	1.418104	0.959509
N	-3.526280	2.191133	0.899863
C	-2.775129	1.893751	-0.163812
H	-3.765271	-1.330481	-2.192363
H	-5.182357	-1.520648	-1.311848
H	2.283349	3.154986	-1.929889
H	1.639315	1.588406	-1.426146
H	2.116760	3.925452	0.477583
H	0.692827	1.282424	0.758309
H	2.466603	1.535730	2.001575
H	-1.105514	2.369580	2.021647
H	-0.131772	3.846035	2.160729
H	-1.468791	4.378167	0.226472
H	-0.340919	2.110033	-2.240650
H	-5.272184	1.607207	1.792888
O	2.873517	-2.138059	1.948974
C	3.519720	-2.703644	0.838346
C	2.723087	-2.606073	-0.446822
O	1.602333	-3.499391	-0.419303
C	2.100573	-1.245439	-0.739096
O	3.009145	-0.312945	-1.253281
C	0.993873	-1.629294	-1.703170
C	0.500366	-2.921930	-1.062853
N	-0.567462	-2.665918	-0.073040
C	-1.889138	-2.592742	-0.553748
O	-2.098373	-2.771371	-1.748104
N	-2.866817	-2.304764	0.337425
C	-2.573663	-2.019160	1.585446
N	-3.611727	-1.664046	2.389322
C	-1.254709	-2.092940	2.100532
C	-0.279062	-2.428843	1.220547
H	-4.429561	-1.342414	1.891813
H	-3.389543	-1.162941	3.230838
H	4.490890	-2.224599	0.660206
H	3.701213	-3.761258	1.051289
H	3.379752	-2.876290	-1.285465
H	1.662131	-0.860339	0.185390
H	0.197117	-0.895021	-1.814286
H	1.417604	-1.839880	-2.687688
H	0.067726	-3.614835	-1.781919
H	-1.017571	-1.884615	3.133482
H	0.763858	-2.508685	1.511588
H	3.019630	-1.171458	1.860807
61
Structure_17
O	0.051708	-3.689782	0.634427
P	-0.556232	-2.338570	0.712921
O	-0.486441	-1.485292	1.927379
O	0.018330	-1.394965	-0.490262
C	0.350480	-2.013458	-1.717286
C	1.841337	-2.189645	-1.881146
O	2.466138	-0.935254	-2.171445
C	2.585637	-2.724507	-0.659136
O	2.465724	-4.096597	-0.476807
C	3.993669	-2.253535	-0.964782
C	3.733062	-0.879787	-1.572631
N	3.738183	0.195366	-0.585702
C	2.707605	0.620806	0.217609
N	3.039175	1.612058	1.002764
C	4.357024	1.849781	0.705606
C	5.293480	2.761771	1.201401
N	4.967676	3.679015	2.143969
N	6.536291	2.743538	0.714962
C	6.828961	1.854889	-0.237870
N	6.044643	0.942085	-0.791203
C	4.813461	0.980010	-0.280202
H	5.725764	4.138181	2.615117
H	4.108016	3.539204	2.644621
H	-0.118777	-2.998303	-1.794145
H	-0.028260	-1.382677	-2.526328
H	2.012691	-2.880912	-2.718777
H	2.219404	-2.188380	0.224512
H	1.599283	-4.197360	-0.025066
H	4.650249	-2.206778	-0.097693
H	4.443223	-2.911556	-1.712858
H	4.490544	-0.596411	-2.306889
H	1.730154	0.160504	0.164917
H	7.852282	1.886230	-0.601511
O	-2.520672	-0.080255	2.936081
C	-3.366474	-1.195804	2.887896
C	-3.923132	-1.482627	1.507740
O	-4.936172	-0.529639	1.161294
C	-2.927406	-1.391324	0.360170
O	-2.110447	-2.529100	0.254758
C	-3.853860	-1.171288	-0.819473
C	-4.873920	-0.221255	-0.204468
N	-4.475679	1.190310	-0.372639
C	-4.819535	1.802897	-1.601186
O	-5.422792	1.144886	-2.431568
N	-4.441108	3.095997	-1.782093
C	-3.753962	3.719221	-0.855192
N	-3.425556	5.019535	-1.102303
C	-3.377152	3.122859	0.375156
C	-3.768803	1.839090	0.568648
H	-3.532266	5.311460	-2.058604
H	-2.659051	5.418577	-0.592086
H	-2.839675	-2.097790	3.221747
H	-4.207254	-1.023672	3.567346
H	-4.364783	-2.489356	1.509158
H	-2.312393	-0.498210	0.504660
H	-3.375766	-0.751396	-1.701739
H	-4.334731	-2.113276	-1.092736
H	-5.858820	-0.301317	-0.661157
H	-2.806734	3.646474	1.128034
H	-3.528216	1.284906	1.470121
H	-1.652639	-0.415500	2.615271
61
Structure_18
O	1.309006	-3.232783	0.573211
P	0.116675	-2.741540	-0.167312
O	-0.374106	-3.439398	-1.383753
O	-1.135652	-2.576599	0.875426
C	-2.263863	-3.415471	0.751394
C	-3.403865	-2.781740	-0.010605
O	-4.034016	-1.752043	0.761979
C	-3.039231	-2.109605	-1.332063
O	-2.828973	-2.997444	-2.379631
C	-4.233111	-1.192436	-1.511311
C	-4.455434	-0.713911	-0.081713
N	-3.680112	0.483842	0.231546
C	-2.389192	0.542877	0.686467
N	-1.940130	1.763620	0.820141
C	-2.992526	2.552194	0.426648
C	-3.154471	3.936995	0.317031
N	-2.174743	4.801472	0.668066
N	-4.318460	4.417716	-0.126540
C	-5.283465	3.550663	-0.441045
N	-5.261316	2.226882	-0.387427
C	-4.086536	1.776327	0.053593
H	-2.268887	5.752699	0.362124
H	-1.251147	4.430614	0.803902
H	-1.999932	-4.342756	0.235833
H	-2.601725	-3.661146	1.761953
H	-4.139382	-3.571925	-0.221236
H	-2.147146	-1.493145	-1.170623
H	-1.903589	-3.297545	-2.241189
H	-4.069222	-0.369114	-2.204405
H	-5.095379	-1.773410	-1.848550
H	-5.496039	-0.453634	0.123427
H	-1.836717	-0.360595	0.900408
H	-6.209470	3.996609	-0.793192
O	2.597506	-1.707396	2.356674
C	1.495378	-0.853282	2.514747
C	1.296222	0.111097	1.363428
O	2.294101	1.142981	1.407749
C	1.448538	-0.476287	-0.037950
O	0.317217	-1.161845	-0.510787
C	1.754494	0.770839	-0.842951
C	2.676260	1.513116	0.114492
N	4.095836	1.155836	-0.093722
C	4.792114	1.868499	-1.098310
O	4.192666	2.717757	-1.734370
N	6.099995	1.550534	-1.297296
C	6.661832	0.596526	-0.595487
N	7.984066	0.355302	-0.833967
C	5.980794	-0.150315	0.398620
C	4.681443	0.176473	0.614375
H	8.344985	0.762975	-1.679300
H	8.357535	-0.537209	-0.568072
H	0.567928	-1.427327	2.630822
H	1.642291	-0.267397	3.427056
H	0.309443	0.581529	1.451673
H	2.309736	-1.149227	-0.045531
H	2.217697	0.587357	-1.809819
H	0.835124	1.341881	-0.989648
H	2.631443	2.594128	-0.007899
H	6.456086	-0.934920	0.968788
H	4.065097	-0.329073	1.351156
H	2.280914	-2.403889	1.738246
61
Structure_19
O	1.485829	3.867146	0.307718
P	1.593081	2.392280	0.430273
O	1.158370	1.667482	1.657167
O	0.786463	1.679006	-0.805658
C	0.284287	2.484946	-1.850593
C	-1.158024	2.877735	-1.616953
O	-2.027181	1.786218	-1.940888
C	-1.511702	3.252536	-0.177535
O	-1.174945	4.560032	0.161552
C	-3.004153	2.983843	-0.168012
C	-3.116094	1.755414	-1.063493
N	-3.084163	0.480059	-0.344291
C	-1.997118	-0.301305	-0.057694
N	-2.317425	-1.451651	0.483974
C	-3.688160	-1.420100	0.563480
C	-4.637584	-2.328461	1.042301
N	-4.289387	-3.537323	1.543104
N	-5.930304	-2.004134	0.976299
C	-6.262399	-0.825823	0.444068
N	-5.469470	0.118898	-0.039409
C	-4.185964	-0.227979	0.048457
H	-3.329053	-3.684554	1.796681
H	-4.996295	-4.045717	2.042623
H	0.878101	3.396567	-1.949566
H	0.354334	1.910680	-2.778074
H	-1.398037	3.730544	-2.266640
H	-1.027141	2.537467	0.499037
H	-0.207030	4.537447	0.317448
H	-3.421806	2.817256	0.823353
H	-3.526799	3.823658	-0.632741
H	-4.057034	1.736512	-1.619052
H	-0.992228	0.033661	-0.276674
H	-7.327811	-0.617034	0.409163
O	2.599980	-0.194670	2.913956
C	3.871732	0.330093	2.666974
C	4.347917	0.184922	1.235405
O	4.641527	-1.182297	0.907069
C	3.347848	0.582671	0.164756
O	3.124863	1.968755	0.071147
C	3.935072	-0.103366	-1.050468
C	4.257580	-1.454885	-0.418000
N	3.047940	-2.305400	-0.437776
C	2.699826	-2.876467	-1.685870
O	3.533196	-2.871192	-2.578315
N	1.434767	-3.351588	-1.826009
C	0.588624	-3.288290	-0.822575
N	-0.696946	-3.680666	-1.039888
C	0.951284	-2.837395	0.474019
C	2.196718	-2.327402	0.606522
H	-1.386235	-3.196986	-0.476348
H	-0.929544	-3.782434	-2.014356
H	3.912535	1.402052	2.904667
H	4.585326	-0.181374	3.320821
H	5.262822	0.784557	1.117995
H	2.405520	0.085169	0.404726
H	3.255530	-0.191118	-1.894771
H	4.850854	0.396806	-1.374840
H	5.039120	-2.009524	-0.931650
H	0.249076	-2.817883	1.293193
H	2.544458	-1.881945	1.530721
H	1.957070	0.446681	2.529469
