14
0.000000 Kcal/mol 0.000000 eV -1232.707879 H	./reopt-0000_simetrizado.log  97.6687
3	-0.000000	-2.096991	1.743165
3	-2.061420	1.190161	-0.847694
3	2.732955	-1.577873	-2.047840
3	0.000000	3.155745	-2.047840
3	-0.000000	-2.380323	-0.847694
3	-1.816048	1.048496	1.743165
3	1.816048	1.048496	1.743165
14	0.000000	2.314552	0.265595
3	2.061420	1.190161	-0.847694
14	-2.004461	-1.157276	0.265595
14	2.004461	-1.157276	0.265595
3	-2.732955	-1.577873	-2.047840
14	0.000000	0.000000	0.388960
3	0.000000	0.000000	-2.076379
14
0.572765 Kcal/mol 0.024837 eV -1232.706966 H	./reopt-0009.log  42.6052
3	4.213632	2.743590	-0.001465
3	-4.099826	-1.271131	-0.000974
3	3.180987	-0.224572	-0.000083
3	-1.333817	-0.185268	2.127723
3	1.731323	1.634853	-1.458413
3	1.519883	-2.913226	0.001529
3	1.731294	1.636374	1.456365
14	-2.560463	0.515203	0.000057
14	1.048918	-0.858295	-1.321147
3	-1.015435	-1.677816	0.001367
3	-1.589065	2.732421	0.000276
3	-1.334525	-0.187903	-2.127245
14	1.049109	-0.856798	1.321893
14	-0.181374	0.709749	-0.000607
14
0.623386 Kcal/mol 0.027033 eV -1232.706885 H	./reopt-0007.log  73.6006
3	-3.891960	3.166818	0.048017
14	-1.222101	-0.826257	-1.229942
14	2.548912	-0.060915	-0.260754
3	-3.188280	0.130698	0.149300
3	1.983784	2.343827	-0.332688
3	1.108944	-0.486790	-2.253799
3	-1.458541	1.862154	1.433217
14	-1.078893	-0.708253	1.385110
3	4.457528	0.584698	0.955161
3	0.797179	-1.894493	0.001906
3	-1.612402	1.729598	-1.465586
3	1.393412	-0.322956	2.022557
14	0.244622	0.659454	-0.059319
3	-1.888182	-2.745694	0.211472
14
3.957015 Kcal/mol 0.171593 eV -1232.701573 H	./reopt-0001.log  94.0448
3	0.000549	2.907089	-1.189974
3	0.000888	-2.801065	-0.183910
3	2.548614	0.053429	1.814871
3	-3.453107	0.525099	-1.247433
3	-0.001438	1.993737	1.865472
14	-2.058633	-1.211076	-0.279536
3	3.451957	0.526299	-1.248141
3	0.000087	-0.680104	1.224751
14	1.209766	1.014331	-0.274345
3	0.001112	-0.624543	-1.779444
3	-0.004602	-0.118050	4.101220
3	-2.549216	0.054472	1.812850
14	-1.209616	1.013809	-0.275924
14	2.059587	-1.210570	-0.278109
14
4.249842 Kcal/mol 0.184291 eV -1232.701106 H	./reopt-0061.log  70.5514
3	1.998115	0.478790	2.361284
3	0.909017	0.081280	-2.026914
14	2.549512	0.445710	-0.049308
3	4.571440	-0.586395	0.576908
3	-1.294241	-1.879469	1.599615
3	-3.140327	-0.726390	-0.311339
14	0.296707	-0.047354	0.706312
14	-0.846631	-1.465954	-0.871426
3	-4.330450	-0.206392	2.411188
3	1.637261	-1.910587	-0.379522
3	0.867366	2.270583	-0.303445
3	-3.298249	2.127795	-0.216978
3	-1.695672	0.912536	1.723396
14	-1.190500	0.947223	-0.950048
14
4.320563 Kcal/mol 0.187358 eV -1232.700993 H	./reopt-0056.log  69.6105
3	4.341607	-0.644342	2.310909
3	-4.374932	-1.466535	0.182955
3	3.084587	-2.297974	-0.716481
3	-1.386333	2.224808	0.098790
3	1.612479	-1.372017	1.482191
3	-1.159139	-1.947946	-0.730547
3	3.189425	0.507172	-0.227150
14	-2.592753	0.063977	-0.006912
14	1.081933	-0.814981	-1.136868
3	-0.930573	0.479425	-1.956510
14	-0.283793	-0.041592	0.717588
3	-2.039041	-0.475350	2.341808
3	1.470621	1.416928	1.916218
14	0.978462	1.558845	-0.581419
14
4.835327 Kcal/mol 0.209680 eV -1232.700173 H	./reopt-0090.log  34.0158
3	4.189678	-1.189855	0.370426
3	-4.471204	1.975660	-0.800477
3	1.631587	-0.805865	-1.818131
3	-1.786376	1.832076	0.376305
14	-0.808628	-1.330832	-1.080865
3	-3.208439	0.300013	2.235976
3	1.015991	0.521840	2.154741
3	-3.120154	-0.714047	-0.437931
3	-1.458475	0.835822	-2.242531
14	-1.086521	-0.642136	1.254551
14	2.588305	0.509114	0.157573
14	0.253685	0.676575	-0.292052
3	1.088963	-1.703142	0.627944
3	1.699836	2.621471	-0.649287
14
5.180683 Kcal/mol 0.224656 eV -1232.699623 H	./reopt-0135.log  80.8660
3	-2.388384	2.386569	-0.321363
3	1.640025	-2.749382	0.347683
14	-0.576958	0.669428	-0.255139
3	2.949381	-0.078955	-0.643415
3	1.007909	1.275757	-2.190563
14	0.740181	-1.089594	-1.258142
3	1.336206	2.063777	0.501174
14	1.043061	-0.503991	1.212241
14	-2.810818	0.101394	0.290819
3	3.155891	0.560894	2.077502
3	-1.217560	0.338070	2.225817
3	-1.859428	-0.902618	-1.795130
3	-1.098741	-1.771213	0.573563
3	3.962527	2.716660	-0.727567
14
5.674056 Kcal/mol 0.246051 eV -1232.698837 H	./reopt-0178.log  24.9724
3	0.077706	-2.756654	0.250137
14	-1.897382	-1.183987	0.158204
3	3.964766	0.176799	0.687377
3	1.401349	1.271650	0.743163
3	2.348290	-0.606212	-1.891517
3	-3.565582	0.538927	0.587594
3	2.665994	3.718615	-0.226292
14	-1.242074	1.230036	0.330765
3	-0.121658	-0.527435	1.887414
3	-0.353538	3.357215	1.026939
14	0.134076	-0.418743	-0.853237
3	-1.973809	0.123382	-1.971771
14	1.990503	-1.201754	0.470641
3	0.292575	2.051133	-1.589453
14
5.821890 Kcal/mol 0.252461 eV -1232.698601 H	./reopt-0059.log  80.9042
3	3.883028	0.083465	-0.997938
3	-3.650420	0.772328	-0.488869
14	1.876610	-1.186539	-0.446701
14	-1.279560	1.365206	-0.590505
3	1.543985	-1.809179	1.925758
3	-1.988803	0.547895	1.893044
3	-0.159249	-2.643731	-0.304459
3	-0.330476	-0.599212	-1.897574
3	1.256520	1.325493	-1.183233
14	-2.015949	-1.007691	-0.046552
3	2.374927	0.796226	1.234534
3	0.080185	2.596884	1.054454
3	3.264098	3.401374	0.106557
14	0.074514	-0.129164	0.796128
14
5.928623 Kcal/mol 0.257090 eV -1232.698431 H	./reopt-0103.log  2.7938
3	-1.428887	-1.675837	-1.449950
3	0.216027	0.001204	2.059013
14	1.244316	1.948084	-0.391200
3	2.209924	2.440838	1.862939
14	-2.151270	0.158170	0.459281
3	-4.365168	0.107807	-0.285315
3	1.889591	-0.125818	-1.987179
14	0.002369	0.000737	-0.429793
3	2.426751	-0.151530	0.586056
3	1.874010	-2.682826	1.884819
14	0.987392	-2.088164	-0.378302
3	-1.220991	1.838001	-1.458881
3	-0.851603	2.245317	1.116527
3	-1.136091	-2.085013	1.125371
14
6.093363 Kcal/mol 0.264234 eV -1232.698168 H	./reopt-0164.log  43.7394
3	1.333750	1.291524	-1.020040
14	-1.182816	1.249495	-0.325314
3	-0.461806	3.500185	-0.528518
3	2.197488	-1.225172	1.873391
3	0.743015	1.838323	1.540844
3	3.833323	0.386564	-0.238348
14	0.135882	-0.465395	0.808203
3	-0.235036	-0.573680	-1.918538
3	0.033594	-2.737235	-0.336822
3	2.697958	3.801088	0.097350
3	-1.865223	0.270928	1.994515
3	-3.544070	0.647261	-0.513670
14	-1.948984	-1.142160	-0.109383
14	1.981705	-1.184751	-0.577113
14
6.502813 Kcal/mol 0.281989 eV -1232.697516 H	./reopt-0008.log  74.2144
3	-2.527574	-1.119545	1.124885
3	3.712214	-0.232093	-0.966981
3	-3.083414	-0.482667	-1.871875
3	2.540346	-0.499485	1.826174
14	-1.980238	1.032112	-0.321319
14	2.070700	1.230791	0.095346
14	-0.956775	-1.124177	-0.750194
3	-0.027493	2.704868	0.220224
3	0.098129	-2.753633	0.873128
3	-0.820366	-1.092521	3.717451
3	-0.096190	0.242779	1.256986
14	1.389334	-0.979429	-0.419237
3	0.221703	0.887126	-1.714051
3	-2.458119	1.601786	2.045941
14
6.867703 Kcal/mol 0.297812 eV -1232.696934 H	./reopt-0133.log  65.4126
3	4.095549	-0.126936	0.002196
3	-2.230221	3.286359	0.001283
3	2.216961	3.295578	-0.002231
3	-1.824993	0.780869	1.401711
3	1.825358	0.787220	-1.400060
3	0.003248	-2.454076	1.364200
14	1.941453	-1.464464	0.000213
3	-4.094349	-0.138585	-0.000775
3	1.823200	0.787907	1.399870
14	-0.003973	2.170856	0.000477
3	0.003865	-2.456536	-1.362854
3	-1.825011	0.782901	-1.400677
14	0.000670	-0.210668	-0.001284
14	-1.936781	-1.469588	0.000023
14
6.949926 Kcal/mol 0.301378 eV -1232.696803 H	./reopt-0146.log  77.1561
3	-0.181127	-2.793756	-0.738587
3	0.225310	2.743638	0.818538
3	-3.581427	0.521811	-0.734447
3	2.503906	0.489226	1.395920
14	-1.864514	-1.017633	0.143699
3	1.469015	1.220223	-1.204010
3	-0.291028	-0.538492	-1.856483
3	-2.033685	0.825702	1.760419
3	0.266690	-1.955327	1.776705
3	3.538877	3.101330	0.140512
14	1.766842	-1.286840	-0.296087
14	0.129614	0.196916	0.771301
3	3.929199	-0.302279	-0.927673
14	-1.284598	1.397825	-0.711247
14
7.256960 Kcal/mol 0.314692 eV -1232.696314 H	./reopt-0235.log  64.6599
3	2.367250	-2.728678	1.158795
3	1.875588	-0.000225	3.494756
3	-4.410084	0.003617	-0.243612
3	2.367297	2.730965	1.157412
3	-1.592287	-2.083333	-0.812329
3	-0.412098	1.540948	1.601720
14	0.958580	-2.011466	-0.670025
3	2.072383	0.000626	0.638338
3	1.923044	0.000380	-1.990054
14	0.958198	2.011326	-0.670282
3	-0.415521	-1.542699	1.600887
3	-1.591841	2.083497	-0.808703
14	-0.161296	-0.000369	-0.504170
14	-2.223424	-0.000584	0.602218
14
7.280974 Kcal/mol 0.315733 eV -1232.696276 H	./reopt-0129.log  44.2324
3	1.175094	-0.658018	2.635234
3	-3.645724	2.944489	0.621226
3	2.645823	1.402584	1.080973
3	-4.007407	-0.122607	-0.745279
3	0.277578	-0.862853	-1.764865
3	-1.457334	1.102870	-1.317952
3	0.078307	-2.623707	0.199946
3	-0.375658	2.472957	1.016806
14	2.020210	-0.888761	0.265954
3	-2.451774	0.197281	1.593184
14	-0.191662	-0.044264	0.655376
3	2.973539	0.117503	-1.825618
14	1.100462	1.390533	-0.810077
14	-1.903104	-1.308329	-0.431323
14
7.354581 Kcal/mol 0.318925 eV -1232.696158 H	./reopt-0069.log  75.5649
3	-4.135347	1.327689	-0.315217
3	0.564408	1.844996	2.019420
3	-1.270115	-2.378753	-0.627248
3	1.576523	3.934168	-0.086386
14	-2.246958	-0.100389	-0.474437
3	2.630631	-0.365470	-1.552585
3	0.408994	-2.294936	1.962754
14	1.410153	1.517293	-0.284558
3	-1.017016	2.089954	-0.532950
3	2.447808	-0.337592	1.099637
3	-0.082935	-0.152407	-1.890243
3	-2.222944	0.003092	1.963541
14	1.161630	-2.035739	-0.311199
14	-0.089112	-0.167752	0.632895
14
7.395859 Kcal/mol 0.320715 eV -1232.696093 H	./reopt-0082.log  55.9961
3	-2.977297	-3.075320	-0.133345
3	3.138383	-1.324620	-2.120654
3	-1.381255	-1.453388	2.002078
3	0.229574	-2.414475	-0.360103
14	-1.832911	-0.954269	-0.363256
3	2.104032	1.587164	-0.461081
3	-2.104425	1.187307	-1.784349
14	2.174506	-0.897593	-0.006288
3	-2.241925	1.246398	0.856289
3	0.317378	-0.022167	-1.772543
14	0.098826	0.129994	0.655717
3	1.825506	-0.776391	2.351736
3	0.339748	2.372992	1.919946
14	-0.279647	2.294547	-0.392882
14
7.562230 Kcal/mol 0.327930 eV -1232.695828 H	./reopt-0104.log  55.6625
3	-0.605412	4.668168	0.220359
3	-4.326502	-1.110625	0.037462
3	0.619702	2.168758	1.379063
3	-1.161708	-2.422350	-0.070660
3	1.816380	2.963119	-1.030786
3	1.899848	-0.368381	1.976005
3	-2.335804	1.146928	1.480233
14	-2.232530	-0.202846	-0.588852
14	1.569688	0.647454	-0.456897
3	-0.041018	-0.726076	-1.874486
3	3.464659	-0.897688	-0.542164
3	-0.801877	1.785632	-1.041650
14	-0.298480	-0.185908	0.875661
14	1.276694	-1.803161	0.055792
14
7.654035 Kcal/mol 0.331911 eV -1232.695681 H	./reopt-0053.log  60.2704
3	3.403733	-0.523589	-1.939009
3	-0.315437	2.620549	1.807790
3	2.074409	0.232716	2.280320
3	-2.443736	0.597090	0.923330
3	0.658731	-2.461202	-1.124268
14	-0.736583	2.234543	-0.496257
14	2.129587	-0.689685	0.068634
3	0.217118	-2.060836	1.464683
3	-2.946139	-2.952890	0.706711
14	0.004133	0.275910	0.683503
3	1.747151	1.851841	-0.419940
3	-2.296858	0.604642	-1.704748
3	0.282907	0.093226	-1.758664
14	-1.478968	-1.392527	-0.306496
14
7.846523 Kcal/mol 0.340258 eV -1232.695375 H	./reopt-0076.log  75.5101
3	1.256755	-1.536023	2.001971
3	3.057551	-3.022838	-0.072731
3	2.166659	1.181714	1.097675
3	-0.105287	-2.471793	-0.541725
3	2.305881	1.301778	-1.554154
3	-4.366899	-0.706755	-0.291939
14	-0.129500	0.087367	0.633040
14	-2.030143	-0.947331	-0.478226
14	1.871843	-0.923722	-0.312248
3	-0.109188	0.055725	-1.891229
3	-0.472758	2.231301	1.980685
3	-1.983578	-0.999452	1.957564
14	0.341041	2.294402	-0.286429
3	-1.997595	1.583003	-0.614759
14
8.085453 Kcal/mol 0.350619 eV -1232.694994 H	./reopt-0106.log  46.0266
3	3.217346	3.501684	-0.068431
3	-2.178008	1.101866	-1.559744
3	2.124653	0.935335	-1.719426
3	-0.339861	-1.142799	1.498246
3	3.829723	0.444491	0.456766
14	-2.017398	-1.042204	-0.338047
3	0.021332	2.713715	-0.386475
3	-3.645812	0.339795	0.850680
14	1.936697	-1.051510	-0.076954
3	2.449306	-2.548809	1.670391
3	1.203316	0.978723	1.452632
14	-1.334406	1.120743	0.970894
14	-0.018084	0.143809	-0.839779
3	0.006227	-2.454579	-0.869841
14
8.118780 Kcal/mol 0.352064 eV -1232.694941 H	./reopt-0014.log  55.4395
3	-3.935725	0.152192	0.414877
3	1.486556	-0.572061	3.904123
3	0.062976	-2.622337	-0.765713
3	2.605361	0.639523	1.362229
14	-2.149084	-1.366600	-0.174363
3	-0.162650	1.730047	2.138414
3	-0.781574	2.996838	-0.728305
3	2.689555	-2.150043	1.188765
14	-1.581128	0.832378	0.098201
14	0.821664	1.266204	-0.215489
3	0.110362	-0.821001	1.140624
14	1.964530	-0.802365	-0.768566
3	-0.347872	-0.254373	-1.837821
3	2.678432	1.229671	-1.869517
14
8.120186 Kcal/mol 0.352125 eV -1232.694938 H	./reopt-0055.log  62.5875
3	-2.754758	-3.061848	0.838910
3	4.281552	-0.122970	-0.585949
3	-2.377777	0.568570	1.122783
3	1.649370	1.841810	-0.627361
14	-1.493435	-1.364726	-0.244765
14	2.006631	-0.739613	-0.278062
3	0.325283	-2.077279	1.373267
3	0.507488	-2.541454	-1.279098
3	-2.495373	0.625008	-1.531677
3	2.246463	0.159473	1.969125
14	0.041550	0.292345	0.707949
3	0.087049	0.111865	-1.821982
14	-0.826613	2.218349	-0.457216
3	-0.200583	2.600500	1.811758
14
8.120456 Kcal/mol 0.352137 eV -1232.694938 H	./reopt-0042.log  60.0855
14	2.103814	0.886217	-0.322516
14	0.990716	-1.279337	-0.083985
3	-0.108234	-2.042407	2.076797
3	-0.597537	-2.650175	-1.298804
3	-0.143755	0.293635	-1.666881
3	0.101663	0.796481	1.310499
3	2.615041	-0.918038	-1.930209
3	-2.664873	0.530350	1.951911
3	2.856649	-0.740674	1.422914
3	-3.457756	-0.404963	-1.073092
14	-2.025373	1.355991	-0.281510
3	2.846955	2.215181	1.593574
14	-1.413374	-0.907975	0.303178
3	0.158196	2.664431	-0.590821
14
8.251543 Kcal/mol 0.357821 eV -1232.694729 H	./reopt-0142.log  57.2391
14	-1.341459	2.043080	-0.561811
3	1.308627	-1.596433	1.357354
3	-1.236477	2.315538	1.794222
14	-0.974119	-1.958784	0.203770
3	-2.167395	-2.843505	-1.652620
14	-0.155529	0.305566	0.551023
3	-1.388820	-1.001986	2.400150
3	-2.611779	-0.055446	-0.261736
3	1.077156	2.319324	-1.016267
3	-0.327579	-0.003845	-1.901388
3	1.871881	1.281848	1.662008
3	4.267201	-0.398578	0.166919
3	1.172095	-2.194259	-1.183351
14	2.050054	0.076710	-0.485544
14
8.272759 Kcal/mol 0.358741 eV -1232.694695 H	./reopt-0023.log  36.2429
3	-5.861998	0.912341	-0.011242
3	3.486994	0.502945	1.483807
3	-2.930889	0.614733	-1.338072
14	2.458616	-1.119085	-0.001874
3	-2.937118	0.615633	1.336428
3	0.472114	-2.751162	-0.001058
3	-4.038170	-1.606480	-0.004341
3	3.479856	0.501920	-1.493486
14	-0.834990	1.038860	0.003724
3	0.402234	-0.571504	1.524801
3	0.397834	-0.569850	-1.522606
14	1.524510	1.104536	-0.000060
14	-1.592862	-1.197194	0.003702
3	0.271201	3.158209	0.000140
14
8.278488 Kcal/mol 0.358990 eV -1232.694686 H	./reopt-0157.log  62.6081
3	-2.095234	-1.719876	0.052237
3	-0.177594	2.219265	-1.412483
3	0.017360	-2.630836	-1.703995
3	-2.942493	1.894412	1.910039
14	0.354839	-2.310172	0.639213
3	2.902890	2.534675	1.234606
3	-0.974191	-0.523423	1.980654
3	-0.030052	1.936473	1.134223
3	1.770977	-0.407234	1.648672
14	1.901775	1.209276	-0.441219
14	0.031011	-0.219758	-0.475987
3	-1.922618	0.017480	-2.364421
3	2.411420	-1.262354	-0.690850
14	-2.064868	0.879530	-0.105296
14
8.688979 Kcal/mol 0.376790 eV -1232.694032 H	./reopt-0060.log  64.5937
3	0.393965	-2.461688	1.734200
3	-1.078115	2.108466	-0.170626
3	-1.200218	-2.343760	-0.866851
3	-4.159906	1.246192	-0.154720
14	1.218599	-1.998698	-0.473981
3	1.428506	3.201781	-1.686005
3	2.438896	-0.405527	1.165012
14	-2.224382	-0.094981	-0.491206
14	-0.032643	-0.208872	0.546203
14	1.370322	1.741181	0.186279
3	-2.202956	-0.297471	1.933290
3	-0.088960	0.058035	-1.916444
3	2.501621	-0.019307	-1.365896
3	0.418320	1.533009	2.413992
14
8.822682 Kcal/mol 0.382588 eV -1232.693819 H	./reopt-0137.log  62.0474
3	-4.229543	1.466819	0.834970
3	3.896460	3.006762	-1.400982
14	-2.553125	-0.009038	0.056130
3	2.066682	0.323913	-1.597845
3	-2.027733	1.791518	-1.547780
3	3.338626	1.266676	1.099178
3	-1.543682	-1.664582	-1.479842
3	2.874031	-1.771136	0.588774
3	-0.823171	-1.621346	1.202671
3	1.157727	2.399471	-0.094021
3	-1.063506	0.956496	1.879324
14	0.847872	-1.670507	-0.691067
14	-0.255403	0.423438	-0.583342
14	1.179394	-0.062734	1.328755
14
8.823881 Kcal/mol 0.382640 eV -1232.693817 H	./reopt-0195.log  63.7457
3	1.629395	-1.723465	1.969980
3	-3.755282	0.166180	0.032262
3	0.298616	-0.257338	-1.991325
3	-3.670072	3.291809	0.370657
3	3.241523	1.395401	-0.862003
3	-1.895335	-1.655268	1.736819
14	2.096381	-0.688221	-0.224085
14	-1.840709	-1.281835	-0.669029
3	1.852432	1.014797	1.757711
14	-0.102732	-0.295021	0.700378
14	0.857714	1.640573	-0.373087
3	-1.594763	1.281086	-1.120969
3	0.297837	-2.512584	-0.690397
3	-1.120738	1.913736	1.437768
14
8.827571 Kcal/mol 0.382800 eV -1232.693811 H	./reopt-0151.log  49.4812
3	4.202687	2.770562	-0.952614
3	-4.102765	-0.928862	0.872528
3	3.490139	0.660975	1.212790
3	-1.800964	-1.088934	-1.608615
3	1.444715	2.235055	0.331579
14	0.626873	-1.587441	-0.987481
3	-1.613260	2.420600	-1.270536
3	-1.013564	-1.559712	0.916873
14	-2.519163	0.653021	0.112377
3	2.103752	0.364217	-1.534536
3	-0.937409	0.827216	2.068014
3	2.586086	-2.190007	0.267782
14	1.170201	-0.380391	1.292904
14	-0.212072	0.562431	-0.482785
14
8.951824 Kcal/mol 0.388188 eV -1232.693613 H	./reopt-0087.log  45.0205
3	-1.771249	1.830623	-0.804837
14	-0.040315	0.226968	0.565544
3	-0.073417	2.639651	1.572308
3	2.388995	0.999654	0.889990
3	1.005194	-1.296689	2.453986
3	1.876555	-2.936992	-1.661013
14	0.684487	2.176653	-0.643395
3	-0.622393	-2.358963	0.142638
3	2.248866	0.458214	-1.613461
14	1.709917	-1.401241	0.145828
3	-3.194177	-1.234235	-2.026432
3	-1.990740	-0.102647	2.358156
3	-0.264588	-0.291336	-1.768311
14	-2.269027	-0.511083	0.029945
14
9.136104 Kcal/mol 0.396179 eV -1232.693319 H	./reopt-0112.log  71.1039
3	-1.041986	-1.268851	2.424681
3	4.362423	-0.482136	-0.368933
3	-2.335952	0.877775	-1.409231
14	2.039013	-0.916649	-0.435581
3	-2.479747	-2.533298	-1.706158
3	2.080176	-0.650042	1.980622
14	-1.894793	-1.178073	0.152931
3	0.024309	-0.216932	-1.883054
3	0.510297	2.418781	1.717003
3	0.219626	-2.508252	-0.062012
3	-2.169419	1.224902	1.129144
3	1.871851	1.589043	-0.873316
14	-0.458770	2.268041	-0.476711
14	0.091354	0.158611	0.556058
14
9.175154 Kcal/mol 0.397873 eV -1232.693257 H	./reopt-0095.log  28.1825
3	3.338659	-1.559779	-1.699102
3	-0.245827	2.311090	2.020019
3	0.234158	-1.803114	-1.595626
14	-0.177268	2.373850	-0.389831
3	-0.126305	-2.389564	0.919757
3	2.102834	1.579744	0.568040
14	1.994279	-1.000856	0.214481
3	-2.425580	1.213775	0.332563
3	1.500064	-0.505927	2.561583
14	-0.088789	0.149756	0.469213
14	-1.897955	-1.165475	-0.389963
3	1.366802	0.791348	-1.694426
3	-1.433895	0.777812	-2.027310
3	-3.518824	-2.082670	1.062968
14
9.570604 Kcal/mol 0.415021 eV -1232.692627 H	./reopt-0126.log  14.0089
3	-0.050414	1.230873	2.524113
3	0.011688	-2.625837	-0.761887
3	2.684504	0.420757	1.632174
3	-3.741595	0.665902	-0.448290
3	3.130805	0.916037	-1.491289
3	-2.155043	-1.269193	2.082409
14	1.064631	1.197404	-0.087919
14	-2.104424	-1.117440	-0.437215
14	2.069636	-0.998316	-0.445355
3	0.039741	-0.785475	0.977738
3	-0.250591	3.209835	-0.221236
3	-0.072684	-0.201249	-1.835441
3	1.822446	-2.209811	1.968310
14	-1.333883	1.057245	0.021932
14
9.681033 Kcal/mol 0.419810 eV -1232.692451 H	./reopt-0161.log  39.4144
3	-3.527906	-2.491652	-0.348842
3	3.654297	0.368960	-0.707754
3	-2.020897	-0.638151	2.032815
14	1.397359	1.281558	-0.536887
14	-1.922952	-0.769320	-0.492081
3	2.162926	0.477656	1.840674
3	-3.357185	1.236774	0.018751
3	-0.199734	2.395499	1.152958
3	-2.557480	4.173276	-0.027233
3	0.355698	-0.663370	-1.849212
3	-0.172327	-2.562056	-0.003124
3	-1.010622	1.579845	-1.326805
14	1.945378	-1.214010	0.007384
14	0.010193	-0.128967	0.853964
14
9.820077 Kcal/mol 0.425839 eV -1232.692229 H	./reopt-0207.log  61.5140
3	-0.242557	3.252516	-0.601588
3	-1.643041	-2.100037	1.696931
14	1.159354	1.423473	0.320227
3	-2.479652	1.211966	-1.498983
3	3.371306	1.293631	-0.676328
14	-1.839896	-1.101246	-0.532443
3	2.251604	-0.213293	1.953338
3	-3.971343	-0.252035	0.404958
3	-1.393124	1.188067	0.960787
3	-3.546345	3.265445	0.369574
3	0.081132	0.246208	-1.673730
3	0.225403	-2.417918	-1.151650
14	0.170090	-0.740152	0.823793
14	2.084726	-0.755193	-0.565143
14
9.885764 Kcal/mol 0.428688 eV -1232.692125 H	./reopt-0229.log  46.8339
3	3.299480	1.448124	-0.075204
3	-3.501058	0.280264	-1.056815
3	0.270490	-2.387487	-1.165745
3	-3.893235	3.143719	0.335096
3	2.438667	-1.446714	1.371352
3	-1.045392	3.049707	-0.851478
14	-1.849961	-1.414342	-0.331810
3	-1.702353	0.989602	0.689565
14	1.968480	-0.488186	-0.845008
3	-0.318962	0.191975	-1.746523
3	-1.572667	-1.942915	2.000268
14	0.844381	1.601202	0.014842
3	0.822743	1.119819	2.439004
14	0.151875	-0.651408	0.746365
14
10.087314 Kcal/mol 0.437428 eV -1232.691804 H	./reopt-0181.log  62.3921
3	-3.235954	-0.298458	0.668844
3	1.032914	-1.640638	-1.626086
3	-5.384330	1.020087	-1.261451
3	4.398725	1.534316	-0.548891
14	-1.039590	0.918848	1.012921
3	3.209207	-1.015182	1.089189
3	-0.941526	-1.375587	2.176337
14	2.426533	0.284182	-0.843409
3	1.229129	2.024077	0.627482
3	-2.729037	-0.480302	-2.073442
3	-2.595828	2.193351	-0.381501
3	-0.014921	0.820281	-1.358058
14	-1.142015	-1.256041	-0.375787
14	0.833277	-0.543121	0.782184
14
10.351043 Kcal/mol 0.448864 eV -1232.691383 H	./reopt-0025.log  1.5175
3	0.009045	-3.070586	-0.034684
14	-1.085174	-0.995198	-0.640917
3	1.934031	3.096792	-0.577141
3	-1.049843	-0.546807	1.917270
3	-0.002359	1.224415	0.050485
3	-1.997242	3.094728	0.548608
3	1.044582	-0.486987	-1.919038
14	2.527377	0.773634	-0.297299
14	1.091611	-1.004486	0.632209
3	-1.850013	0.985055	-2.043122
14	-2.530920	0.752272	0.314066
3	3.385368	-1.496303	-0.140001
3	1.901067	0.923721	2.078187
3	-3.388142	-1.513064	0.081830
14
10.374399 Kcal/mol 0.449877 eV -1232.691346 H	./reopt-0028.log  16.5459
3	-3.386378	-1.440964	-0.246118
14	2.527731	0.709236	0.347064
3	-1.042538	-0.378108	-1.918314
3	2.095304	3.078786	0.534735
14	-2.507585	0.826937	-0.254511
3	3.394588	-1.533648	-0.059428
3	-1.985853	0.799733	2.145925
3	1.729295	1.109718	-1.961020
3	-0.049358	-3.067631	-0.174650
3	1.064134	-0.686230	1.904405
14	-1.105899	-1.024793	0.610748
3	0.012277	1.216296	0.258368
3	-1.748711	3.081059	-0.697300
14	1.068018	-0.978310	-0.657574
14
10.672485 Kcal/mol 0.462803 eV -1232.690871 H	./reopt-0043.log  47.0965
3	2.820017	0.780521	1.283259
3	-2.035552	1.823391	1.207392
3	3.507097	-0.686893	-1.312790
3	0.556027	2.597937	3.205452
3	-0.185063	-1.409927	-1.186955
3	0.660680	2.811829	0.058801
14	1.907502	-1.393056	0.379741
14	-0.893763	1.022603	-0.956410
3	-0.288746	-2.308467	1.358454
3	-3.214261	0.503366	-1.439158
3	-3.516462	-2.415067	0.099359
3	0.134652	0.284388	1.362664
14	-2.070610	-0.606178	0.453561
14	1.391502	0.552115	-0.870423
14
11.136735 Kcal/mol 0.482935 eV -1232.690131 H	./reopt-0118.log  60.4579
3	-1.141681	-1.071543	1.986023
3	2.512062	0.665371	1.938258
3	-3.046412	-0.327074	-1.743705
3	1.182793	3.277082	-0.325192
3	0.267592	-3.134283	-0.107945
3	3.395785	-1.097723	-0.393735
14	-2.456448	0.512525	0.472126
14	2.157391	1.020769	-0.452090
14	-1.092255	-1.173390	-0.484344
14	1.117572	-0.986715	0.595361
3	-0.484470	1.229094	-1.301666
3	-0.077484	1.218397	1.134131
3	-2.363237	2.940123	0.135384
3	1.032502	-0.774326	-1.933135
14
11.327673 Kcal/mol 0.491215 eV -1232.689827 H	./reopt-0108.log  31.0269
3	-3.413773	-1.198734	-0.237020
3	3.458242	-1.364240	-0.590147
14	-2.217256	0.934888	-0.402048
14	2.449597	0.664075	0.316813
3	-2.346678	0.667993	2.046959
3	1.188067	-0.922709	1.909412
3	-1.366456	3.219733	-0.421613
3	2.234543	3.085236	0.277751
3	-0.111242	-3.095320	-0.225199
3	0.735034	1.320113	-1.609701
14	-1.103656	-1.060896	0.661140
14	1.020297	-1.007074	-0.600749
3	0.057072	1.206363	0.878538
3	-1.130055	-0.729739	-1.913042
14
11.533923 Kcal/mol 0.500159 eV -1232.689498 H	./reopt-0119.log  36.9207
14	1.523873	-0.000235	0.588639
3	2.562161	2.075618	1.411089
3	-0.649076	-1.395304	1.365402
3	2.118700	0.000492	-1.845860
3	-3.987869	-0.001484	1.953223
3	-4.352778	0.001274	-1.270954
3	-0.648145	1.395943	1.365599
3	-1.513449	-2.171743	-1.010392
14	-2.474678	-0.000050	0.153580
14	1.088818	2.021259	-0.502688
3	-0.304485	-0.000065	-1.141337
3	-1.513528	2.171716	-1.009116
3	2.564215	-2.075156	1.409526
14	1.088613	-2.021251	-0.502498
14
12.107385 Kcal/mol 0.525027 eV -1232.688584 H	./reopt-0239.log  62.4997
3	-2.577686	-0.354457	1.760249
3	3.406649	-0.928195	-1.194093
3	-1.824790	2.490396	1.586127
3	2.575688	-0.353600	1.761360
3	0.000036	0.582871	1.205597
14	1.176502	-1.287277	-0.079011
14	-2.027069	0.934264	-0.432086
14	2.027078	0.934008	-0.432481
14	-1.176591	-1.287168	-0.078456
3	0.000303	-2.251482	1.991995
3	-3.405432	-0.927525	-1.196493
3	-0.000069	2.476689	-0.861965
3	1.825785	2.491104	1.585148
3	-0.000110	0.069674	-1.868429
14
12.277584 Kcal/mol 0.532407 eV -1232.688313 H	./reopt-0063.log  52.3438
3	0.283868	0.431910	-1.239292
14	0.517968	-1.870319	-0.205238
3	-3.263113	0.196647	1.326674
3	-0.261529	3.380823	-0.862097
3	1.088493	1.994645	0.976602
3	3.044536	1.657708	-0.864168
14	-1.629599	-0.845430	-0.227938
14	-1.466828	1.533812	0.321500
14	2.181886	-0.345174	0.311514
3	-0.066605	-0.247614	1.654414
3	-1.473517	-3.235453	-0.084020
3	2.871902	-2.621214	-0.130681
3	2.476090	4.676193	-0.130691
3	-2.849453	0.892871	-1.579323
14
12.318322 Kcal/mol 0.534174 eV -1232.688248 H	./reopt-0105.log  60.0349
3	2.666913	-1.737009	1.964749
3	0.003285	2.934384	-1.158349
3	0.153772	-0.746925	1.272172
3	-3.303731	-1.800979	-1.728808
14	2.008130	-1.208670	-0.389770
3	-3.050570	1.186935	-0.850754
3	-0.200991	-2.692155	-0.186981
3	-0.289766	-0.393989	-1.621744
3	1.079194	1.480896	2.008475
14	-0.928879	1.272875	0.358188
3	3.720175	0.512644	-0.501550
14	1.331603	1.057594	-0.464414
3	-2.051761	0.158308	2.419875
14	-2.137966	-0.886538	0.149478
14
12.370963 Kcal/mol 0.536456 eV -1232.688164 H	./reopt-0058.log  15.9287
3	-2.761214	-2.414376	-0.385380
14	3.099747	0.029267	-0.007226
3	-1.661068	-0.260134	-2.051323
3	4.725424	0.385570	1.635719
14	-2.931464	-0.010853	0.001692
3	1.712055	-2.043126	0.580468
3	1.089936	-0.371005	-1.412146
3	1.678630	2.073222	-0.589923
3	-2.787798	2.394350	0.383695
14	-0.736169	-1.177666	0.272938
3	4.720054	-0.492538	-1.610398
3	-1.661685	0.253710	2.052927
3	1.089934	0.386637	1.410420
14	-0.748743	1.178042	-0.270418
14
12.617531 Kcal/mol 0.547149 eV -1232.687771 H	./reopt-0163.log  36.8157
3	1.672069	-0.922259	-2.432128
3	-2.919854	-2.143172	-1.702050
14	2.103358	-1.080088	-0.066697
3	-2.065573	1.291332	1.590678
3	2.326316	-2.139445	2.111696
3	-1.905867	1.569747	-1.106145
3	-0.013406	-2.370963	-0.188602
14	-1.919862	-0.749580	-0.030822
3	2.224345	1.288343	0.829747
14	0.199436	0.226726	-0.661291
3	-2.088623	-2.210090	1.916205
3	1.015970	2.490302	-1.621309
14	-0.038620	2.320535	0.523215
3	0.147836	-0.202566	1.701354
14
12.978091 Kcal/mol 0.562784 eV -1232.687197 H	./reopt-0150.log  51.2664
3	-2.690810	1.609877	-2.204847
3	0.774653	-2.299604	1.785366
3	0.076847	0.527261	-1.554338
3	0.773482	-2.310721	-1.777873
3	-2.388004	-1.229188	-1.751623
14	1.687235	-0.745187	-0.002372
14	-2.079318	0.644803	0.000190
3	0.078788	0.529141	1.551436
3	-2.682446	1.610690	2.208471
3	4.014422	0.059994	0.005586
3	-0.278699	2.636867	-0.001787
14	-0.672123	-1.384406	0.000350
14	2.072664	1.504671	-0.001699
3	-2.384368	-1.227092	1.756087
14
13.088388 Kcal/mol 0.567567 eV -1232.687021 H	./reopt-0101.log  62.3246
3	-2.280613	-1.886391	-1.523828
3	-3.309092	4.165487	-0.000268
3	2.059001	-2.403534	-0.000273
3	-1.203349	2.211701	1.345035
3	-2.281072	-1.886134	1.523053
3	-3.473894	1.124488	-0.000614
14	-0.499013	-2.436464	-0.000245
3	-1.202529	2.212327	-1.344182
3	0.658938	-0.696454	1.499767
3	2.902192	2.569587	-0.003090
3	0.658969	-0.695472	-1.499494
14	-1.306527	-0.093657	-0.000010
14	2.656525	0.140767	0.000336
14	0.750040	1.378867	0.000753
14
13.095416 Kcal/mol 0.567872 eV -1232.687010 H	./reopt-0057.log  29.6894
3	3.307463	0.013965	0.633346
3	-4.813731	0.183821	1.131884
14	1.832674	-0.789681	-1.090764
3	-3.865730	-1.342109	-1.676985
3	2.708850	1.344461	-1.914869
14	-2.913927	0.225082	-0.215827
3	1.087308	-2.821896	-0.010316
3	-1.653577	-1.518412	1.176920
3	1.738611	1.488092	2.284144
3	-1.105981	1.013443	1.275038
3	-0.604122	-0.614146	-1.071310
3	-1.334507	1.914380	-1.206942
14	1.031362	1.337315	-0.119062
14	1.021766	-0.700201	1.292601
14
13.319619 Kcal/mol 0.577594 eV -1232.686653 H	./reopt-0138.log  54.3964
3	-1.019324	1.221584	2.176465
3	4.305727	-1.492639	-0.328312
3	-3.761650	0.468766	-0.361011
14	2.061197	-0.835946	-0.220958
14	-1.391119	1.053608	-0.322549
3	0.217912	-2.668759	-0.538717
3	-2.521783	-1.943122	1.934603
3	0.141155	-0.216167	-1.751927
14	0.900853	1.271306	0.421694
3	2.158476	-0.099915	2.188305
14	-2.022310	-1.224557	-0.427428
3	2.852146	1.336424	-1.063451
3	-0.179324	3.044613	-0.851452
3	-0.086898	-0.884703	1.158622
14
13.497706 Kcal/mol 0.585317 eV -1232.686369 H	./reopt-0204.log  4.5184
3	1.142207	-2.827945	2.198409
3	-1.070299	2.113308	-1.405578
3	0.512451	-1.764041	-2.479456
3	-4.169518	-0.477598	-0.810773
14	1.136108	-2.080504	-0.162026
14	-2.143422	0.342938	0.147270
3	2.680751	-0.098555	-0.514023
14	0.068959	-0.015302	-0.621898
3	0.904032	-0.115000	1.649341
3	-1.877098	-0.340032	2.592130
3	2.445834	2.421007	1.727833
3	-0.714430	2.145717	1.288584
3	-1.327255	-2.045008	0.211697
14	1.254068	1.964614	-0.318666
14
13.508976 Kcal/mol 0.585805 eV -1232.686351 H	./reopt-0127.log  5.6419
3	3.399474	1.325526	0.283506
3	-1.117428	0.687228	-1.839208
3	1.919108	-0.468666	-2.393977
3	-3.364162	1.538032	0.188592
3	2.830903	-2.302628	1.785643
14	-2.615728	-0.700050	-0.338080
14	2.494705	-0.901175	-0.076216
3	-2.435076	-3.039922	-0.744265
14	1.074270	1.045921	-0.556132
14	-1.056034	0.885627	0.710100
3	0.023940	3.028880	0.409834
3	-0.011905	-1.342918	-0.261350
3	1.098274	0.212088	1.834316
3	-1.863461	-1.179124	1.951772
14
13.607376 Kcal/mol 0.590072 eV -1232.686194 H	./reopt-0089.log  41.5913
3	-3.358364	1.328593	0.110192
3	2.633066	-3.051708	-0.538326
3	-1.907554	-0.642733	-2.375181
14	2.655279	-0.703409	-0.262249
14	-2.451678	-0.951987	-0.042532
3	3.353925	1.569094	0.168854
3	-0.034693	3.024978	0.230576
3	1.953448	-1.024690	2.060041
3	-1.102294	0.187823	1.817447
3	1.156275	0.556543	-1.868574
3	-3.787066	-1.556584	1.808597
3	0.084226	-1.398157	-0.214116
14	-1.033038	0.969509	-0.642796
14	1.045658	0.901638	0.690539
14
13.776546 Kcal/mol 0.597408 eV -1232.685924 H	./reopt-0198.log  52.2655
3	-2.243745	0.803342	2.045016
3	-2.042376	3.152230	-0.464689
3	0.102936	-3.097570	0.232522
3	0.177578	1.115526	-1.703494
3	3.532341	-1.141329	-0.135287
14	-2.282908	0.776063	-0.448399
14	-0.958593	-0.963887	0.745466
3	-3.350704	-1.343483	0.136313
3	1.314437	-0.531924	1.863783
3	2.893153	2.182292	1.670723
14	1.105535	-1.076159	-0.585321
3	0.030420	1.416755	0.756842
3	-1.198352	-1.153456	-1.760509
14	2.304034	0.963472	-0.277721
14
13.793815 Kcal/mol 0.598157 eV -1232.685897 H	./reopt-0084.log  38.9603
3	3.294362	-1.435764	0.097719
3	1.989484	1.029372	-1.955034
3	4.567567	1.612071	0.087097
3	0.979769	-0.594928	1.930296
14	2.390416	0.828026	0.452470
14	1.021053	-0.910509	-0.689655
3	-1.072298	-0.232115	-1.943117
3	-3.380009	-1.501036	-0.196744
3	-0.080425	1.398205	0.121725
14	-2.645876	0.793499	-0.261114
3	-2.114229	0.754211	2.126479
14	-1.104294	-0.956851	0.562783
3	-2.531805	3.145136	-0.369740
3	-0.071809	-3.027927	-0.199607
14
13.962947 Kcal/mol 0.605491 eV -1232.685627 H	./reopt-0079.log  58.1790
3	-4.663340	-1.572944	0.036250
3	3.316254	1.393381	-0.202488
3	-3.316249	1.393261	0.202530
3	1.004713	0.378543	-1.966977
3	0.000034	-1.539946	-0.000755
14	1.055200	0.895993	0.622414
14	-2.443609	-0.904033	0.396992
3	0.000137	3.004491	0.000818
3	-1.004593	0.377691	1.966945
3	4.662978	-1.573532	-0.035318
3	2.108677	-0.894410	2.028926
3	-2.109209	-0.893834	-2.028988
14	2.443673	-0.903805	-0.397308
14	-1.055136	0.896266	-0.622300
14
14.055442 Kcal/mol 0.609502 eV -1232.685480 H	./reopt-0094.log  48.8199
3	-0.002894	-1.501115	0.415619
3	0.079362	2.954202	-0.544253
3	-4.649944	-1.548373	0.077483
14	1.056097	0.977134	0.526937
3	2.043740	-0.360868	2.417598
3	-3.302060	1.434142	-0.193630
3	3.962768	-1.666708	-1.598087
3	-1.082454	0.760541	1.838988
14	-2.464045	-0.789672	0.466649
3	3.371077	1.292659	-0.257451
14	2.504450	-0.979015	0.123829
3	1.119487	-0.101283	-1.823651
3	-1.963487	-1.261642	-1.880017
14	-1.005559	0.791220	-0.785830
14
14.118124 Kcal/mol 0.612221 eV -1232.685380 H	./reopt-0232.log  63.3898
3	-0.517285	3.110615	0.056640
3	0.164918	-2.261152	0.884969
14	-1.274899	0.872074	-0.434053
14	-2.151732	-1.321787	0.326673
3	0.802644	1.034038	-1.950126
3	2.212232	-0.367437	2.012042
3	-3.447402	0.696857	0.801901
3	4.020625	-1.941569	-0.203032
3	-2.926884	-0.448484	-1.830931
3	-0.862992	0.197187	1.984810
14	0.932418	1.224010	0.549588
14	1.981974	-0.775724	-0.438027
3	3.244672	1.351764	-0.350600
3	-0.300082	-1.365158	-1.425183
14
14.184715 Kcal/mol 0.615108 eV -1232.685274 H	./reopt-0102.log  58.2774
3	3.121607	2.329468	-1.352074
3	-3.036105	-0.878997	1.021284
3	3.245704	-0.762633	-1.137459
3	-2.801178	1.947238	2.044513
3	0.218653	0.619551	-1.538512
3	-0.361653	-2.776587	1.218082
14	2.067776	0.925463	0.274279
14	-2.009115	1.078880	-0.117931
3	2.460885	-0.791314	2.048550
3	0.062253	2.587102	0.293670
14	-1.171882	-1.201376	-0.579272
3	-2.803584	-0.102140	-2.106248
14	1.139774	-1.313539	-0.004086
3	-0.230496	0.210984	1.500911
14
14.240746 Kcal/mol 0.617538 eV -1232.685185 H	./reopt-0051.log  1.8755
3	2.600917	2.078126	-1.441640
3	-1.437954	-2.072594	1.305062
3	2.613100	-2.077856	-1.419261
14	-2.562806	-0.007264	0.035424
14	1.571447	0.001344	-0.639082
3	-4.148857	-1.561237	-0.805864
3	-0.764248	1.403772	-1.275108
3	-4.239739	1.528973	-0.653199
3	-0.741205	-1.409092	-1.260391
3	-1.440047	2.072422	1.289801
14	1.099213	2.031495	0.442646
3	-0.242280	0.002261	1.018398
14	1.111765	-2.021281	0.465184
3	2.108754	0.015186	1.822731
14
14.338022 Kcal/mol 0.621756 eV -1232.685030 H	./reopt-0172.log  47.7564
3	0.265236	2.591351	0.766332
3	3.254614	2.415710	-0.871349
3	-0.105713	-1.481610	4.033352
3	3.011521	-0.767501	-1.462857
3	-0.200625	0.156885	1.483549
3	-0.581962	-2.250912	-2.172273
3	2.037435	-1.330944	1.782961
14	2.085737	0.728478	0.289166
3	-0.776734	-2.409181	1.154866
3	0.117654	1.097764	-1.418643
3	-3.865472	-0.060512	0.006336
14	-2.032144	1.500800	0.137071
14	0.811276	-1.179143	-0.520663
14	-1.541144	-0.613218	-0.613205
14
14.372780 Kcal/mol 0.623264 eV -1232.684974 H	./reopt-0196.log  41.1467
3	-3.537409	1.064709	-0.182884
3	3.296806	1.263665	0.135289
3	-3.308102	-2.077230	1.562127
3	4.064070	-2.050104	-0.247237
3	-1.318625	0.345039	1.842646
3	2.158788	-0.788633	2.040164
14	-2.293293	-1.033854	-0.283327
14	2.071138	-0.802249	-0.482832
3	-0.217961	3.090420	0.295716
14	0.906702	0.980736	0.794336
3	-0.257275	-1.152856	-1.805489
3	1.149028	1.211079	-1.737244
14	-1.109128	1.031654	-0.580957
3	-0.047941	-1.728761	0.676554
14
14.501758 Kcal/mol 0.628857 eV -1232.684769 H	./reopt-0045.log  32.4980
3	-2.477245	0.012902	-2.169777
3	4.010952	-0.016869	1.979355
3	-3.164673	-1.645619	0.490350
3	1.581797	2.179351	-0.739333
3	0.806189	0.010440	-1.738797
3	0.568983	1.228756	1.403108
14	-1.027166	-1.302561	-0.677420
14	2.589366	0.000213	0.109101
3	0.569253	-1.245022	1.387706
14	-1.027397	1.310447	-0.661612
14	-1.576504	-0.008666	1.405385
3	-3.164801	1.639216	0.510431
3	4.547695	0.009002	-1.176565
3	1.583122	-2.169508	-0.765263
14
14.577128 Kcal/mol 0.632125 eV -1232.684649 H	./reopt-0044.log  45.2899
3	-4.130064	0.778675	-1.569855
3	2.509066	-1.870924	1.452787
3	-1.486077	2.359420	-0.003301
14	0.575139	-2.029168	-0.000461
3	-4.124501	0.787712	1.572384
3	2.510062	-1.868525	-1.452697
14	-2.512514	0.029311	0.000411
3	-1.668952	-1.969491	-1.299135
3	3.527630	1.837413	-0.000295
14	1.882296	0.068728	0.001311
3	-0.239263	0.309001	-1.289983
3	-0.240402	0.311276	1.290748
3	-1.668259	-1.970098	1.298870
14	1.128813	2.208744	-0.001159
14
14.697026 Kcal/mol 0.637324 eV -1232.684458 H	./reopt-0180.log  41.7397
3	-3.441386	-1.919733	1.437118
3	-1.290689	0.341095	1.789604
3	-0.158525	-2.054461	0.707804
14	-1.078201	1.109727	-0.637394
3	1.371376	1.098913	-1.656709
3	-0.061530	-1.061224	-1.624272
14	-2.237505	-0.974382	-0.348975
3	-3.508545	1.115975	-0.314503
3	-0.065994	3.135356	0.174669
3	1.779205	-0.728540	2.410802
14	0.908312	0.976359	0.744142
3	3.381073	-1.520240	-1.978562
3	3.363884	1.092577	0.362432
14	2.114065	-1.004501	-0.038140
14
14.726770 Kcal/mol 0.638614 eV -1232.684410 H	./reopt-0165.log  49.0863
3	4.052022	-2.111985	-0.168967
3	-3.494941	1.131980	-0.106189
3	3.303902	1.162991	-0.325999
14	-2.263250	-0.899074	0.446535
14	2.002927	-0.953669	-0.417786
3	-0.094185	3.099746	-0.272313
3	2.385663	-0.402543	2.018769
3	-0.513569	-1.455358	-1.379706
3	1.026182	0.775915	-1.980018
14	-1.107147	0.956394	-0.652292
14	0.991992	1.082737	0.589422
3	-3.812590	-2.285377	-0.664462
3	0.040714	-1.592386	1.123562
3	-1.140973	0.807204	1.914554
14
14.768995 Kcal/mol 0.640445 eV -1232.684343 H	./reopt-0236.log  51.4986
3	-2.806620	-0.960088	-1.690202
3	2.946360	-0.141846	1.738403
3	-2.239077	-1.537088	1.519354
3	3.657941	0.100123	-1.200540
14	-2.044382	0.629701	0.105600
14	1.980015	1.380502	0.034823
3	-2.431355	1.114392	2.586972
3	0.061877	0.178184	1.518121
3	0.598503	-2.704264	1.239649
3	-0.254559	2.581309	0.339070
14	-0.741041	-1.414091	-0.467292
14	1.537482	-0.907809	-0.291722
3	-2.969246	2.104849	-1.570244
3	0.019835	0.719021	-1.593825
14
14.787783 Kcal/mol 0.641260 eV -1232.684313 H	./reopt-0086.log  37.5312
14	1.696188	1.251203	0.713014
3	1.945717	-2.271286	-1.458795
3	3.475194	-0.002730	-0.406505
3	-1.421042	-0.023072	-2.086302
3	0.754679	0.025965	2.670307
14	-2.935151	-0.001474	-0.154329
14	0.975649	-0.012639	-1.273440
3	-4.526087	1.714035	-0.139164
3	-0.798942	1.370173	0.326903
3	-2.756993	0.023522	2.237874
3	1.945516	2.242157	-1.503752
14	1.698749	-1.236404	0.737744
3	-4.520223	-1.721886	-0.104848
3	-0.796514	-1.360078	0.356998
14
14.897045 Kcal/mol 0.645998 eV -1232.684139 H	./reopt-0213.log  63.1722
3	0.001175	-2.775500	-0.002635
3	0.000120	3.231937	0.002697
14	-1.914150	-1.030828	-0.127579
3	1.639711	1.042543	-1.522319
3	3.465519	-1.610234	-1.536613
14	-0.912994	1.142921	-0.806218
3	-3.460475	-1.617733	1.535446
14	0.909863	1.140507	0.806953
3	0.018143	-0.938881	1.820415
3	3.339457	0.763856	0.967136
3	-3.342431	0.761461	-0.963563
3	-0.014751	-0.933665	-1.819124
14	1.915716	-1.029959	0.125559
3	-1.639157	1.037223	1.524555
14
14.899084 Kcal/mol 0.646086 eV -1232.684136 H	./reopt-0199.log  46.0187
3	-3.213122	-2.038282	-1.787482
3	3.491238	1.146277	-0.307461
14	-2.110688	-1.053988	0.061035
3	1.186735	1.018057	1.792606
3	-3.351220	1.067312	-0.259368
14	1.088568	0.944210	-0.772968
3	-2.252595	-0.061441	2.339857
3	-0.042000	3.048765	-0.619927
3	-1.176493	0.473195	-1.919179
3	3.723330	-2.323813	-0.627115
3	0.351171	-1.521632	-1.118641
14	2.265715	-0.816299	0.452869
3	0.041390	-1.533330	1.393453
14	-0.977544	1.081411	0.497620
14
15.006100 Kcal/mol 0.650727 eV -1232.683965 H	./reopt-0193.log  60.9132
3	-3.449989	0.712564	-0.565215
3	-0.197124	3.208367	0.407041
3	-3.177951	-1.981026	1.618833
3	3.363546	0.937227	0.548273
3	-0.237878	-0.708311	-2.038187
14	0.930695	1.117362	0.818722
14	-1.873367	-1.097405	-0.119614
3	3.535865	-2.292131	0.507923
14	-1.034007	1.178377	-0.626966
3	1.364285	1.382715	-1.611992
3	0.123043	-2.713325	-0.404976
3	0.322002	-1.136799	1.580359
3	-1.485950	0.740338	1.750466
14	1.942426	-0.801824	-0.456255
14
15.067721 Kcal/mol 0.653399 eV -1232.683867 H	./reopt-0197.log  52.5873
3	-4.868417	-1.208037	-0.167177
3	1.205515	1.724802	2.044898
14	-2.989528	0.206226	-0.147422
14	2.070594	-0.338944	0.922067
3	-1.131127	0.511185	-1.836911
3	2.340723	-2.504268	-0.172619
3	-2.886024	-0.128840	2.242231
3	0.598139	-1.403949	2.718805
3	-1.475429	2.171417	0.286501
3	-0.483907	-0.083867	0.804853
3	-1.518717	-1.901940	-0.636441
3	3.158843	0.426545	-1.214159
14	0.907768	-0.824494	-1.170719
14	1.095538	1.470845	-0.476065
14
15.111747 Kcal/mol 0.655308 eV -1232.683797 H	./reopt-0173.log  57.2305
3	3.195673	-2.464488	-0.841925
3	-0.843211	2.797886	0.435955
3	-0.231735	-1.133123	-1.471602
14	1.933951	-0.662924	-0.039011
14	0.568723	1.201039	-0.929598
3	-3.957733	0.167654	0.301853
3	2.472078	-0.579536	2.406721
3	-0.144080	0.126418	1.371643
3	0.894918	1.901594	3.655108
14	-2.116987	-1.387726	0.348357
3	2.647234	0.621035	-2.036951
3	0.161368	-2.488939	0.780772
14	-1.740273	0.689377	-0.556697
3	2.126887	1.799259	0.890854
14
15.144986 Kcal/mol 0.656750 eV -1232.683744 H	./reopt-0206.log  71.4282
3	-0.291472	3.161409	0.145527
3	0.221205	-2.862796	-0.296340
3	3.321633	1.334424	-0.363483
3	0.119351	-0.936891	1.102168
3	1.205687	1.092066	1.859980
3	-2.304443	-1.089004	1.966498
14	0.863266	1.181355	-0.564068
3	0.300971	-0.861583	-1.913063
14	-1.255451	0.975994	0.692502
14	2.199676	-0.844128	-0.226614
3	-1.441007	0.992546	-1.765003
3	3.031128	-1.591801	1.902346
3	-3.630100	0.448842	-0.119819
14	-1.921695	-1.246195	-0.441565
14
15.366829 Kcal/mol 0.666370 eV -1232.683390 H	./reopt-0205.log  50.5377
3	-1.720753	1.786333	2.321693
3	3.852054	-0.417350	-0.295227
3	-2.137518	-1.080021	1.918164
3	-0.095632	0.327382	-1.717085
3	2.168478	1.780569	2.009696
3	-2.934674	-1.337090	-1.215283
14	-2.062762	0.654017	0.001055
14	2.023413	1.181566	-0.426810
3	0.835149	-2.026315	1.928549
14	1.518309	-1.105537	-0.364038
3	0.151046	0.404145	1.191443
3	-3.250466	1.804193	-1.705314
3	-0.177304	2.546019	-0.250189
14	-0.769756	-1.541731	-0.107304
14
15.378118 Kcal/mol 0.666859 eV -1232.683372 H	./reopt-0120.log  69.7582
3	-1.803539	2.864785	0.819868
14	-2.006170	0.632274	-0.293029
3	-3.028240	-0.656438	1.524819
14	-1.154068	-1.632417	0.212051
3	-0.000329	2.229373	-1.027688
3	-0.001015	5.277091	0.026204
14	1.154612	-1.631966	0.212011
14	2.006077	0.632908	-0.293164
3	-3.116085	-1.334346	-1.277562
3	3.028133	-0.655224	1.525123
3	3.116875	-1.333573	-1.277107
3	1.802191	2.865283	0.820091
3	-0.000038	0.393901	1.239003
3	-0.000054	-0.321250	-1.616137
14
15.488209 Kcal/mol 0.671633 eV -1232.683197 H	./reopt-0062.log  37.0970
3	-2.693244	-2.016697	1.003359
3	4.110038	-1.781748	-0.722416
3	-3.321687	0.417146	-0.279592
3	1.582347	1.850711	-1.381589
14	-1.175589	-0.123882	1.383598
14	2.616312	-0.093761	-0.053581
3	1.465638	-0.607031	2.251425
3	4.468926	1.035099	0.831202
3	-2.017709	2.207670	1.289624
3	0.667523	-0.478488	-1.902524
14	-1.567370	-1.093586	-0.970455
3	0.790009	1.331452	0.893870
3	0.526103	-1.726083	0.197074
14	-1.068627	1.261507	-0.826799
14
15.590091 Kcal/mol 0.676051 eV -1232.683034 H	./reopt-0166.log  10.1528
3	3.164506	-0.592311	1.278557
3	-3.687228	1.846889	-1.416739
3	2.715126	-0.820547	-1.889460
3	-2.931186	-1.038768	-1.044387
3	3.036902	2.456606	1.305365
3	-2.784713	-0.016337	2.029991
14	2.038371	0.991021	-0.324768
14	-1.116984	-1.238030	0.618483
3	-0.002744	2.597740	-0.455609
3	0.202430	0.674882	1.519745
14	1.189907	-1.261131	-0.016254
14	-1.958757	1.015308	-0.004028
3	-0.225094	-2.933514	-0.996363
3	-0.199836	0.125242	-1.607117
14
15.747671 Kcal/mol 0.682885 eV -1232.682783 H	./reopt-0222.log  47.4320
3	-2.552102	2.300565	-0.162672
3	4.951726	-0.834418	0.224333
3	0.463810	0.276836	0.792256
3	1.751058	-1.880119	0.322557
3	1.243068	2.120470	-0.728462
14	2.971102	0.324251	-0.250166
14	-1.028158	0.750459	-1.208258
3	1.142292	-0.414179	-1.837559
14	-2.112110	0.128750	0.932028
3	-0.915571	-1.706643	2.136337
3	-0.853575	1.508290	2.670814
3	2.907791	0.824942	2.107763
3	-3.074052	-0.717329	-1.250986
14	-0.916072	-1.520263	-0.389544
14
15.824145 Kcal/mol 0.686201 eV -1232.682661 H	./reopt-0201.log  48.9316
3	3.155292	0.213487	-1.412725
3	-3.381243	1.827900	1.425559
3	1.087010	3.331595	-1.140940
14	-2.083754	0.319462	0.006227
3	3.187721	-0.278398	1.549860
3	-3.334441	-1.755033	-0.202120
14	1.788014	1.289079	0.297549
3	-2.268815	2.520547	-1.363231
14	1.429516	-1.088510	-0.084164
14	-0.834532	-1.670427	-0.149547
3	-0.078922	0.026504	1.622483
3	-0.569660	2.412813	0.731485
3	-0.026362	0.507596	-1.387911
3	0.832945	-3.438498	-0.149430
14
16.332058 Kcal/mol 0.708226 eV -1232.681852 H	./reopt-0223.log  38.6191
3	5.449263	-1.130770	0.020794
3	-0.775692	2.738164	0.004597
3	2.554903	-2.785489	0.004229
14	-2.556856	0.893119	0.005204
3	3.673740	2.160641	0.009264
3	-3.484475	-0.869855	1.426027
14	0.826597	-0.984328	-0.008531
3	-3.491122	-0.866619	-1.416039
3	2.780595	-0.226163	-1.398035
3	-0.486483	0.533910	1.531238
3	2.770335	-0.225153	1.398206
3	-0.495671	0.539803	-1.533448
14	-1.474014	-1.265012	-0.000588
14	1.383831	1.384406	-0.006121
14
16.784692 Kcal/mol 0.727854 eV -1232.681131 H	./reopt-0144.log  36.7537
3	-4.104730	-0.959580	1.552755
3	2.909425	2.443073	0.001757
3	-0.247337	-0.269582	1.305096
3	-0.247433	-0.269254	-1.305323
3	-1.393614	-2.373927	-0.000350
14	1.817806	0.255797	-0.000167
3	-1.772131	1.944034	1.292579
14	0.501212	2.142163	-0.000321
14	-2.516204	-0.089714	0.000467
3	3.058475	-1.389205	-1.435317
3	3.058531	-1.388879	1.434850
3	-1.772412	1.943874	-1.292223
3	-4.103842	-0.957054	-1.553892
14	1.186130	-2.034711	0.000035
14
17.391581 Kcal/mol 0.754171 eV -1232.680163 H	./reopt-0220.log  69.2940
3	3.318283	0.250060	1.465947
3	-3.508187	0.778763	1.356253
3	3.148301	0.606142	-1.401481
3	-2.754056	1.447917	-1.398984
14	1.790832	-0.976994	-0.067407
3	-2.533347	-2.817117	-0.199408
14	1.543017	1.460635	0.255191
3	0.023323	0.185770	-1.416048
3	0.601272	3.354022	-1.021667
3	-2.866382	4.125841	0.139679
3	0.056961	-0.205328	1.613325
14	-1.938061	-0.450660	-0.008803
3	-0.985888	1.924212	0.578124
14	-0.217277	-2.100899	-0.118068
14
17.760739 Kcal/mol 0.770179 eV -1232.679575 H	./reopt-0179.log  43.4160
3	-2.062866	1.830787	-0.841124
14	-2.661700	-0.415118	0.272805
14	1.484656	-1.839484	-0.476116
3	-3.813873	-1.098375	-1.658629
3	1.932858	2.543590	1.406753
3	-0.506349	-0.239319	-1.104075
3	-4.641761	0.317012	1.295361
14	1.514480	0.308672	0.518483
3	-1.056925	-2.349097	0.125449
3	1.369846	-1.690944	2.000979
3	3.645803	-1.099141	0.382266
3	1.821955	0.286285	-1.977476
14	0.558370	2.093032	-0.549254
3	-0.869116	0.812725	1.462881
14
17.943356 Kcal/mol 0.778099 eV -1232.679284 H	./reopt-0143.log  26.7791
3	2.039818	1.582479	1.237819
3	-2.018473	0.175583	1.816821
3	3.521034	-1.774917	1.203085
14	-1.736861	-1.764009	0.081964
3	4.765958	0.417382	-0.933670
3	-2.835588	-1.062674	-1.954504
14	2.605753	-0.343545	-0.418587
14	-1.428345	0.426016	-0.606431
3	0.996207	1.347677	-1.263346
14	-0.538105	2.026074	0.802622
3	0.421079	-0.385599	0.982660
3	-1.909957	2.795825	-1.041397
3	0.628060	-1.747003	-1.173111
3	-0.486197	-2.956589	1.780989
14
19.513597 Kcal/mol 0.846191 eV -1232.676782 H	./reopt-0238.log  44.1291
3	-1.102048	-2.174844	-0.882037
3	-0.404245	-0.353274	0.733764
3	1.919727	2.645158	1.388996
14	1.515693	-1.827663	-0.340813
14	-2.812330	-0.448270	-0.016885
3	0.948238	0.060541	-1.914709
14	1.892134	0.436489	0.351429
14	0.389698	2.031906	-0.367456
3	2.338670	-1.463653	1.930537
3	-1.714009	1.059899	-1.593506
3	-3.407939	-1.587241	1.958536
3	-5.048533	0.187102	-0.312245
3	3.800676	-1.047525	-0.537973
3	-1.928112	1.775683	0.972684
14
19.526643 Kcal/mol 0.846756 eV -1232.676761 H	./reopt-0152.log  38.2491
3	3.617140	-1.934764	-1.489049
3	-1.301895	2.959855	1.310682
3	0.646731	-2.138024	0.754657
3	2.295932	1.520669	-1.060976
3	-1.961923	0.519824	-1.799231
3	1.131949	0.912961	1.362749
14	-1.706587	-1.524459	-0.259682
14	-0.241053	2.087719	-0.699048
14	2.624916	-0.665266	0.215771
3	-2.569903	-1.003690	1.987491
3	0.460800	-0.403326	-1.170030
14	-1.373847	0.621624	0.645639
3	-3.762950	-2.612732	-0.666531
3	4.694785	-0.245660	1.224396
14
19.748160 Kcal/mol 0.856362 eV -1232.676408 H	./reopt-0191.log  25.8744
3	-1.410543	-2.475303	0.001200
3	0.536596	4.180091	0.000306
14	1.162052	-2.219330	0.000066
3	-1.678531	1.868636	-1.294572
3	-0.163593	-0.384047	1.326889
14	0.591130	1.855165	-0.001244
3	3.575303	-1.944408	0.000537
3	3.030903	2.080062	0.003854
14	1.978422	-0.121046	-0.000448
3	-4.029577	-0.905754	-1.591213
14	-2.442875	-0.157093	0.000689
3	-1.677340	1.869027	1.295711
3	-4.033256	-0.905678	1.589095
3	-0.164030	-0.385206	-1.327439
14
19.764155 Kcal/mol 0.857056 eV -1232.676383 H	./reopt-0228.log  43.5145
3	-2.192613	3.585770	-1.006546
3	-2.147837	-2.374054	1.633745
3	1.785499	2.027127	-0.699247
3	-2.124309	1.794299	1.789405
3	3.780026	-0.991561	-1.720659
14	-1.352955	-0.281363	0.704029
14	-0.801137	1.841612	-0.268440
3	-2.154206	0.148659	-1.646035
14	2.655150	-0.183906	0.166834
14	-1.354793	-2.085886	-0.662730
3	0.870795	0.818858	1.567526
3	0.482515	-0.234327	-1.283981
3	1.030419	-2.051824	0.529073
3	4.653805	0.588249	1.118158
14
19.873932 Kcal/mol 0.861816 eV -1232.676208 H	./reopt-0237.log  2.3840
3	2.385972	3.488493	-0.952145
3	-0.477330	-0.176909	-1.314003
3	2.189976	1.663644	1.832868
3	-3.845340	-0.810865	-1.738861
14	0.900400	1.814154	-0.239510
3	-4.590768	0.204441	1.371333
3	-0.846083	0.861437	1.569328
14	1.253224	-2.136293	-0.680189
3	2.187897	0.068488	-1.613712
14	-2.644872	0.024812	0.086587
3	-1.655998	2.187247	-0.684882
3	-1.162263	-1.959180	0.481795
3	1.995392	-2.491766	1.622765
14	1.309508	-0.353036	0.710008
14
20.191301 Kcal/mol 0.875579 eV -1232.675702 H	./reopt-0215.log  31.3089
3	0.604178	-0.064372	1.329965
3	-2.522511	1.410754	1.841836
3	-1.934854	-0.208796	-1.879816
14	-1.244112	1.629767	-0.228678
14	-1.726348	-0.540778	0.607374
14	-0.628768	-2.074654	-0.680514
3	0.641478	0.148035	-1.362601
3	4.137426	0.301962	1.956316
3	-1.500377	-2.808700	1.449215
3	1.258886	2.360981	0.125729
14	2.711403	0.332282	0.106573
3	1.945480	-2.027213	-0.275191
3	-2.870703	3.285761	-0.789533
3	4.384179	0.650707	-1.484775
14
21.497611 Kcal/mol 0.932226 eV -1232.673620 H	./reopt-0071.log  42.0059
3	-2.261809	1.595345	-1.363620
3	3.891773	-1.155681	-1.580634
14	-2.414466	-0.590387	-0.000115
3	3.883068	-1.154519	1.587464
3	-0.003109	-0.301850	-1.211293
14	2.337618	-0.312987	-0.001081
14	-1.290908	-2.406997	0.000217
3	1.823382	1.810422	1.321090
3	-2.261251	1.593645	1.362644
3	1.277278	-2.590896	-0.000962
14	-0.280675	2.084283	-0.000529
3	1.823043	1.809954	-1.322786
3	-0.477355	4.416990	0.003498
3	-0.002344	-0.301660	1.211632
14
22.157217 Kcal/mol 0.960829 eV -1232.672569 H	./reopt-0214.log  24.5360
3	1.546017	2.899617	1.305326
3	3.162999	-0.935257	1.672584
3	1.055149	0.013834	-1.869073
3	-5.004229	-0.210184	-0.520253
3	-0.397228	-0.273805	0.932256
3	-1.710859	0.756108	-1.712959
3	-3.443307	-1.574823	2.064430
3	-0.936450	-2.228099	-0.661264
14	1.593312	-1.646005	-0.050119
14	0.248023	2.027776	-0.532049
3	-2.070484	1.797672	0.737380
3	3.426778	-2.520674	-1.272777
14	1.857334	0.681964	0.394467
14	-2.761895	-0.576104	0.042919
14
22.730880 Kcal/mol 0.985705 eV -1232.671655 H	./reopt-0224.log  35.6231
3	3.164283	-2.142984	1.033658
3	2.597201	2.002779	1.459078
3	0.871761	0.032628	-1.821715
3	-1.769493	1.710810	1.267660
3	-1.314267	-2.039574	-1.076016
3	1.557051	3.501402	-1.360607
14	1.305709	-2.083270	-0.499210
14	0.624929	1.846352	0.040503
14	2.034121	-0.106420	0.355668
3	-0.400922	-0.485401	0.830160
3	-3.554096	-1.593382	1.800193
14	-2.803357	-0.267370	0.003861
3	-1.575142	1.380086	-1.326309
3	-4.996255	0.483605	-0.343271
14
26.786947 Kcal/mol 1.161593 eV -1232.665191 H	./reopt-0168.log  28.4697
14	2.553798	-1.035007	-0.160869
14	2.546399	1.053959	0.160818
3	0.839641	-2.813888	-0.501177
14	-1.368591	-1.787479	-0.034426
3	0.324686	0.166090	-1.215929
3	0.817575	2.820097	0.495375
3	-1.432654	3.264581	-1.818224
3	-2.650867	-3.487783	-1.065032
14	-1.384396	1.776719	0.034177
3	-2.553769	0.024103	-1.326937
3	-2.554972	-0.045345	1.325223
3	-2.672085	3.468010	1.073039
3	-1.396727	-3.273444	1.819695
3	0.325525	-0.160654	1.215368
