12
uracil_000_000
C       1.288251744     0.639149141    -0.011341408
O       2.302855104     1.292677091    -0.020029217
C       1.161563809    -0.808142747    -0.012344620
C      -0.052923764    -1.408055570    -0.001633922
N      -1.218019224    -0.662204464     0.010647363
C      -1.197414889     0.755124965     0.012590589
O      -2.238559500     1.373267638     0.023472690
N       0.056044845     1.359120150     0.001528336
H       2.094304115    -1.367531506    -0.022133474
H      -0.181757084    -2.498821048    -0.002056612
H      -2.130104413    -1.110083766     0.018698721
H       0.088519934     2.382146965     0.002775222
14
uracil_000_001
C      -1.727517274     0.227723547    -0.022395220
O      -2.934955449     0.255931861    -0.034634430
C      -0.855957929    -0.910164365     0.015493526
C       0.510970019    -0.767306003     0.024836378
N       1.378130782    -1.835346552     0.061115273
N       1.093715196     0.500420810    -0.002692548
C       0.298529786     1.680785652    -0.040889843
O       0.857970017     2.754872120    -0.063472174
N      -1.073711556     1.509403279    -0.049469223
H      -1.339572249    -1.880037658     0.036087416
H       1.017936622    -2.768522605     0.082005263
H       2.367256599    -1.726633514     0.067270515
H       2.101009760     0.629157680     0.003584578
H      -1.658180319     2.348652963    -0.076810138
15
uracil_000_002
C      -0.409562142     1.839055392    -0.002136360
O      -0.902997993     2.941095976    -0.003281426
C      -1.088195501     0.559733600    -0.000142504
C      -0.401994571    -0.612546285     0.000995842
C      -1.051351423    -1.953249766     0.003025185
N       0.987148254    -0.611966209     0.000279920
C       1.740126549     0.588619852    -0.001652804
O       2.950423850     0.537925085    -0.002222527
N       1.018008581     1.776010771    -0.002807250
H      -2.174189399     0.602268884     0.000365288
H      -2.151607587    -1.878110640     0.003456869
H      -0.778515721    -2.544001808     0.892568012
H      -0.779363539    -2.546280286    -0.885264722
H       1.510660648    -1.483322254     0.001127759
H       1.545492101     2.652797278    -0.004213135
12
uracil_000_003
C      -0.749583639     1.251398958    -0.000312293
O      -1.240881326     2.351645539    -0.000512549
C      -1.427991161    -0.029798684    -0.000579044
C      -0.702564065    -1.173441112    -0.000264459
F      -1.264823027    -2.366627000    -0.000472348
N       0.678122508    -1.206748277     0.000296566
C       1.421792453     0.010317258     0.000567814
O       2.628941239    -0.036378844     0.001036290
N       0.681920962     1.186019219     0.000260899
H      -2.516891241    -0.005743294    -0.001034166
H       1.207800804    -2.079050734     0.000529916
H       1.203047402     2.068944962     0.000466545
14
uracil_001_000
C      -0.162037815    -1.248215429    -0.016304745
O      -0.648679659    -2.355993910    -0.023177266
C      -0.926859642     0.018389242    -0.036905431
N      -2.309248059    -0.097580976    -0.233141360
C      -0.276752211     1.214626699     0.011393258
N       1.114323807     1.268079278     0.085308517
C       1.908124922     0.117261578     0.074755534
O       3.117993550     0.184557314     0.114285632
N       1.235635004    -1.115289905     0.033062545
H      -2.671531868    -1.036663930    -0.143412514
H      -2.881890141     0.590415202     0.217907883
H      -0.794697268     2.175879741    -0.006897766
H       1.585136182     2.166664554     0.113836062
H       1.810486695    -1.962994138     0.041919500
16
uracil_001_001
C      -0.110489581     1.601786268    -0.033811270
O      -0.621879115     2.697929665    -0.060858918
C      -0.782567524     0.326612157     0.003634431
N      -2.212068977     0.251053984     0.036914572
C      -0.066309401    -0.861774941     0.023128348
N      -0.671819392    -2.093411094    -0.019750818
N       1.328800614    -0.835605938     0.040510270
C       2.057122199     0.383327098    -0.000647722
O       3.267404306     0.342034039    -0.003060491
N       1.318275168     1.555990287    -0.032000175
H      -2.583249262     0.777686208     0.820387196
H      -2.613378092     0.629689748    -0.814245116
H      -1.684021984    -2.102836825     0.033632004
H      -0.190282441    -2.932898528     0.211356946
H       1.874372733    -1.693365310     0.028900006
H       1.831533033     2.441572454    -0.056576663
17
uracil_001_002
C      -0.037335661     1.760906637    -0.025901280
O      -0.563371775     2.850054172    -0.039699474
C      -0.729600084     0.471780024    -0.013633193
N      -2.157158470     0.462655689     0.022402660
C      -0.032406747    -0.703714887     0.029632153
C      -0.667393474    -2.047089234     0.063095718
N       1.359129375    -0.681288155     0.018417233
C       2.105726429     0.516070336     0.001075433
O       3.316417645     0.481177812    -0.000348573
N       1.378149102     1.705889101    -0.018373849
H      -2.521644613     1.239715304     0.564525265
H      -2.554163907     0.502766774    -0.908259816
H      -1.721659283    -1.971417111     0.404895340
H      -0.165938426    -2.747038882     0.745455911
H      -0.698709940    -2.507981016    -0.936734789
H       1.885402662    -1.552201677     0.035829856
H       1.904491080     2.584321817    -0.027462365
14
uracil_001_003
C      -0.232934450     1.251400824    -0.012465785
O      -0.767653032     2.334571663    -0.044276595
C      -0.940414026    -0.044908244    -0.004840580
N      -2.334044950    -0.006320199     0.151642532
C      -0.199816579    -1.189791887     0.001127870
F      -0.744206427    -2.391410261    -0.017372476
N       1.191712204    -1.199726150    -0.017936291
C       1.921545393     0.001745186     0.008735880
O       3.131060498    -0.008246634     0.022381114
N       1.175305585     1.188123015     0.000908027
H      -2.733121460     0.917534466     0.046783415
H      -2.851241339    -0.708107508    -0.348131952
H       1.713352516    -2.075885749    -0.014154998
H       1.700530337     2.069350258     0.003243248
15
uracil_002_000
C       0.352727070    -1.193557890     0.006879741
O       1.107497615    -2.136555962     0.019637978
C       0.700890428     0.226307939     0.010279533
C       2.143763373     0.568832894     0.032243934
C      -0.270547583     1.173327597    -0.006024504
N      -1.614293647     0.831447644    -0.026163681
C      -2.041160275    -0.513642942    -0.030654779
O      -3.222732701    -0.780812317    -0.048259175
N      -1.039745825    -1.483495594    -0.013971807
H       2.781273543    -0.334598396     0.040122714
H       2.416840323     1.148930270     0.925934661
H       2.443331916     1.152241287    -0.850696251
H      -0.050802393     2.247967910    -0.004203607
H      -2.333765651     1.548111791    -0.038254011
H      -1.332842236    -2.464457356    -0.017066052
17
uracil_002_001
C       0.055416923     1.589138283    -0.002479380
O      -0.420639393     2.700475867    -0.006550151
C      -0.631255091     0.320448107     0.001664874
C      -2.115896938     0.360869836     0.000409190
C       0.076807520    -0.860265255     0.001055269
N      -0.513810824    -2.109462122    -0.059545743
N       1.474776052    -0.856580894     0.021795601
C       2.217627846     0.351830794     0.004874217
O       3.427967678     0.297818534    -0.001226038
N       1.488073229     1.528793090     0.002846947
H      -2.487893445     1.403188224     0.010568724
H      -2.547351030    -0.124353591     0.886193280
H      -2.541645582    -0.103715374    -0.900231272
H      -1.510189661    -2.174905223     0.032368185
H       0.002782137    -2.938099556     0.143097789
H       2.007484431    -1.721101653    -0.015493257
H       2.007228479     2.410833004    -0.000054784
18
uracil_002_002
C       0.114536685     1.738063350    -0.003058472
O      -0.371517719     2.844800810    -0.005726812
C      -0.587560734     0.459197988    -0.001630088
C      -2.070933088     0.534065154    -0.003871768
C       0.103027109    -0.713687936     0.001525220
C      -0.518279493    -2.068681692     0.003302798
N       1.497191851    -0.712535298     0.003363618
C       2.255334312     0.476905122     0.002081176
O       3.466321235     0.428537583     0.003717843
N       1.536316604     1.668605322    -0.001076920
H      -2.428414084     1.580698072    -0.006081687
H      -2.509002555     0.061365242     0.886856832
H      -2.506404912     0.058486986    -0.894347436
H      -1.619448822    -2.022049281     0.001974279
H      -0.232381288    -2.650523646     0.894279538
H      -0.230366838    -2.653782361    -0.884887414
H       2.012740688    -1.588732122     0.005698027
H       2.067161661     2.543719389    -0.002010500
15
uracil_002_003
C      -0.051093263     1.258212111    -0.000295681
O      -0.537399971     2.361929995    -0.001447548
C      -0.749180965    -0.023008445    -0.001343942
C      -2.230125848    -0.003474206    -0.004288001
C      -0.017750789    -1.166508856     0.000366946
F      -0.576723522    -2.361466544    -0.000389027
N       1.366710331    -1.201956821     0.003023104
C       2.112692221     0.005623281     0.004082247
O       3.320767029    -0.035875779     0.006338418
N       1.374964195     1.185765766     0.002402680
H      -2.626191115     1.028688546    -0.005402459
H      -2.653970237    -0.498949806     0.882928261
H      -2.650416316    -0.499511229    -0.892880965
H       1.888278626    -2.078641452     0.004261125
H       1.899942860     2.066658080     0.003170285
12
uracil_003_000
C      -0.948802979     1.090774850    -0.001322420
O      -1.671842695     2.052379417    -0.002569563
C      -1.337866956    -0.319414052     0.001048395
F      -2.638195741    -0.543971747     0.001935909
C      -0.445209850    -1.341374489     0.002285106
N       0.910720105    -1.059823364     0.001309602
C       1.403931988     0.265411440    -0.000946032
O       2.596852519     0.468821164    -0.001703611
N       0.457464532     1.292362104    -0.002184949
H      -0.731918576    -2.401136861     0.004059916
H       1.595578326    -1.811338604     0.002204720
H       0.810195178     2.254661089    -0.003832223
14
uracil_003_001
C      -0.494304209     1.684756232     0.004652052
O      -0.992784819     2.781060884     0.007766339
C      -1.148800287     0.401058668     0.001645043
F      -2.471581672     0.436109800     0.002467167
C      -0.471904253    -0.801660659    -0.001900716
N      -1.074037172    -2.034622546    -0.005087735
N       0.925249998    -0.781480549    -0.002492349
C       1.663536763     0.433721388     0.000277264
O       2.872777172     0.377434485    -0.000502731
N       0.937188196     1.613950184     0.003738934
H      -2.073077280    -2.111236701    -0.004499896
H      -0.551170396    -2.882212244    -0.007009352
H       1.464741936    -1.643121320    -0.005148121
H       1.462149741     2.493360067     0.005765446
15
uracil_003_002
C      -0.386212899     1.862495650    -0.002979260
O      -0.897442297     2.952310790    -0.004843865
C      -1.054153867     0.565705193    -0.001246410
F      -2.373372607     0.628741134    -0.001788803
C      -0.395767391    -0.625839427     0.000782706
C      -1.040745571    -1.963968863     0.002578183
N       0.996168894    -0.612769277     0.001252386
C       1.749525881     0.583402223    -0.000240402
O       2.959252442     0.535577359     0.000292023
N       1.033394665     1.779750787    -0.002306574
H      -2.143293084    -1.908329932     0.002060019
H      -0.765844395    -2.552875772     0.893791324
H      -0.765146478    -2.555606771    -0.886607750
H       1.516409192    -1.487167533     0.002740172
H       1.571727450     2.651413124    -0.003407842
12
uracil_003_003
C      -0.720902434     1.273005880    -0.000406768
O      -1.231115252     2.360975564    -0.000677598
C      -1.385841844    -0.025055758    -0.000876153
F      -2.703692817    -0.011188039    -0.001731154
C      -0.682605926    -1.188207133    -0.000470089
F      -1.261015913    -2.370367984    -0.000859377
N       0.699278007    -1.208215962     0.000405174
C       1.439583790     0.006803684     0.000894661
O       2.646458158    -0.033572169     0.001637614
N       0.702929922     1.189864819     0.000468358
H       1.227231398    -2.082313150     0.000721652
H       1.233417726     2.068647814     0.000826478
11
1H_2pyramidinone_0_0_0
C      -0.534907114    -1.388971797    -0.007227466
C      -1.297988531    -0.181419837    -0.029597460
C      -0.617084016     1.011635098    -0.018164342
N       0.750359715     1.017648758     0.013703613
C       1.507392171    -0.221781586     0.035901599
O       2.706449380    -0.115615247     0.063337755
N       0.777307415    -1.406890283     0.023402914
H      -1.041402811    -2.367551967    -0.015301670
H      -2.379074632    -0.221021571    -0.054706872
H      -1.130071865     1.981795277    -0.033731841
H       1.271485608     1.889899341     0.022620735
13
1H_2pyramidinone_0_0_1
C      -0.400958091     1.795401475     0.075282081
C      -1.094516683     0.568355382    -0.006216362
C      -0.337576290    -0.605858256    -0.040056888
N      -0.913799520    -1.852250122    -0.119047816
N       1.036176094    -0.530456636     0.006294623
C       1.714180330     0.770195085     0.090828552
O       2.915175358     0.710597508     0.125141803
N       0.915533937     1.895460673     0.121062675
H      -0.956268655     2.747336164     0.104587329
H      -2.171824918     0.547418015    -0.040727482
H      -1.908798446    -1.944839395    -0.154001846
H      -0.376851252    -2.691548756    -0.142355989
H       1.619201924    -1.360587718    -0.016262657
14
1H_2pyramidinone_0_0_2
C      -0.309428121     1.971455434     0.105507713
C      -1.004640395     0.731794736     0.009248752
C      -0.264409598    -0.430253429    -0.034229496
C      -0.876532564    -1.784689489    -0.134283935
N       1.104525329    -0.355621228     0.016096620
C       1.793065560     0.921735501     0.114287334
O       2.995769356     0.873636720     0.151787545
N       1.000943375     2.062604668     0.154825251
H      -0.868481283     2.920396328     0.142608891
H      -2.085044107     0.718832941    -0.027790217
H      -1.977167209    -1.740816950    -0.170448452
H      -0.616963227    -2.419993706     0.728445225
H      -0.554629025    -2.317434040    -1.044124538
H       1.674764544    -1.196311898    -0.014165874
11
1H_2pyramidinone_0_0_3
C      -0.633364963     1.365126548     0.026783643
C      -1.319939971     0.114898467    -0.015052772
C      -0.532448225    -1.010937013    -0.033393719
F      -1.053156914    -2.222708889    -0.071763523
N       0.829451622    -0.956753934    -0.013451125
C       1.498169258     0.352354123     0.029425434
O       2.697334661     0.321479537     0.044774027
N       0.675872881     1.470216650     0.047322831
H      -1.204212272     2.308897502     0.043590122
H      -2.402199862     0.074388428    -0.030983643
H       1.413488947    -1.792501070    -0.027068382
13
1H_2pyramidinone_0_1_0
C      -0.109306685     1.355037102     0.028703113
C      -0.796535780     0.082506649    -0.029038430
N      -2.191384703     0.058178620    -0.225584684
C      -0.024936088    -1.059272857    -0.025135249
N       1.347112345    -0.956720769     0.045456038
C       2.004262986     0.313983553     0.109989600
O       3.209370099     0.316446502     0.170584687
N       1.189657185     1.452560915     0.099607462
H      -0.687411010     2.292175583     0.007201763
H      -2.698626184     0.800791840     0.223866065
H      -2.633364691    -0.832041488    -0.079404092
H      -0.453968308    -2.062465902    -0.084319546
H       1.920223138    -1.794864010     0.037245849
15
1H_2pyramidinone_0_1_1
C      -0.000834680     1.715528434     0.135862750
C      -0.682265988     0.484785610     0.000152193
N      -2.101290339     0.329063752    -0.085006812
C       0.095624395    -0.696054756    -0.057525767
N      -0.471564000    -1.932714879    -0.185550043
N       1.466290543    -0.593095572     0.019513692
C       2.124533527     0.710454346     0.160049949
O       3.325682861     0.666632286     0.216843047
N       1.312898028     1.825730007     0.211064934
H      -0.565232931     2.660542909     0.185220028
H      -2.484497774     0.798424245    -0.893414913
H      -2.567688829     0.659682674     0.747980337
H      -1.478783941    -1.987793719    -0.242998539
H       0.055513376    -2.774332334    -0.234010286
H       2.062360574    -1.414405030    -0.017493687
16
1H_2pyramidinone_0_1_2
C       0.058481672     1.889556063     0.127397216
C      -0.655539693     0.634463646     0.024158526
N      -2.040077720     0.671885312    -0.160487922
C       0.096201043    -0.527010153    -0.011608810
C      -0.447950637    -1.908884614    -0.121794744
N       1.476738199    -0.426776788     0.056664947
C       2.155682834     0.826532262     0.154822705
O       3.362501334     0.805104788     0.201282443
N       1.359238022     1.974503994     0.191439208
H      -0.505053250     2.835761584     0.144583983
H      -2.521178692     1.522783583     0.027310038
H      -2.568361863    -0.164266250    -0.069504339
H      -1.543419692    -1.941392112    -0.184287835
H      -0.161662441    -2.527080158     0.745384800
H      -0.075123110    -2.418948160    -1.027800085
H       2.039568046    -1.272219054     0.028784610
13
1H_2pyramidinone_0_1_3
C      -0.098680224     1.376542532    -0.017288058
C      -0.802670035     0.120299414    -0.050676801
N      -2.219170691     0.171666807    -0.130949548
C      -0.013334219    -1.014694579    -0.000763807
F      -0.541812406    -2.223987281    -0.024629422
N       1.346386806    -0.960388616     0.075235997
C       2.021025232     0.343091417     0.106849979
O       3.218418391     0.307761480     0.174274562
N       1.206187710     1.465871628     0.055646469
H      -0.678505259     2.316256137    -0.054555067
H      -2.675546621    -0.229916780     0.675747630
H      -2.582517364    -0.243886594    -0.976858652
H       1.923420711    -1.801073563     0.111560471
14
1H_2pyramidinone_0_2_0
C      -0.176400300    -1.340182013     0.025511541
C       0.593969739    -0.131517099    -0.001773507
C       2.076443340    -0.171958691    -0.011556294
C      -0.094356382     1.059069422    -0.018470338
N      -1.464859434     1.062642221    -0.008872762
C      -2.219285678    -0.170878256     0.018775325
O      -3.420235134    -0.071254670     0.025451336
N      -1.487420922    -1.356315456     0.035047656
H       0.329240553    -2.318951372     0.039649281
H       2.470734247    -1.198507995     0.005131140
H       2.506256881     0.341994814     0.862168130
H       2.493580305     0.308347623    -0.910219064
H       0.415660900     2.029317080    -0.039628852
H      -1.982713018     1.936483876    -0.021039747
16
1H_2pyramidinone_0_2_1
C       0.169105441     1.695583864     0.077399370
C      -0.525439503     0.466134746    -0.010085355
C      -2.006635144     0.433018256    -0.092963271
C       0.244492177    -0.705395878    -0.014826238
N      -0.303153411    -1.965227902    -0.095822176
N       1.617884030    -0.615486230     0.064227581
C       2.288456335     0.684093562     0.153112317
O       3.489422152     0.632170604     0.216859008
N       1.483179598     1.803985239     0.153906984
H      -0.388948607     2.646576008     0.084931401
H      -2.441810532     1.444187288    -0.075448173
H      -2.455914229    -0.106884973     0.753600893
H      -2.357871957    -0.033939959    -1.024968696
H      -1.294437631    -2.079555915    -0.154041103
H       0.254194427    -2.791060905    -0.097030611
H       2.204726862    -1.443853613     0.062974463
17
1H_2pyramidinone_0_2_2
C       0.210292971     1.846201505     0.105862142
C      -0.491190332     0.603436244     0.001272714
C      -1.973293364     0.604329892    -0.087096533
C       0.258899449    -0.555675709    -0.012611131
C      -0.310718203    -1.929304244    -0.115826983
N       1.629914370    -0.469263965     0.073322898
C       2.313237489     0.802256217     0.178159722
O       3.515835484     0.762188212     0.247590605
N       1.516666598     1.941801432     0.188414594
H      -0.350384678     2.795138595     0.120518199
H      -2.394049083     1.620314841    -0.059336304
H      -2.433873708     0.055127552     0.748170859
H      -2.328054383     0.147282495    -1.023421554
H      -1.410096781    -1.925316081    -0.181107049
H      -0.052734518    -2.546881031     0.759996361
H       0.052823562    -2.457495130    -1.012415888
H       2.200339583    -1.310738075     0.064767925
14
1H_2pyramidinone_0_2_3
C       0.085599559     1.359279409     0.059042890
C      -0.613440769     0.112524722    -0.027913211
C      -2.090518186     0.053237097    -0.108750139
C       0.177506673    -1.014522465    -0.031109296
F      -0.337414993    -2.226985277    -0.106839811
N       1.540695851    -0.962723879     0.043115830
C       2.210863789     0.335157055     0.130408926
O       3.409713364     0.304710440     0.192484000
N       1.392121044     1.457004492     0.132066680
H      -0.480526636     2.305819927     0.067053517
H      -2.552727256     1.051132133    -0.090804787
H      -2.527975124    -0.509637411     0.731934143
H      -2.434082892    -0.434495888    -1.035599747
H       2.118470705    -1.802887009     0.040128944
11
1H_2pyramidinone_0_3_0
C      -0.613431393     1.367624897     0.023793660
C      -1.267346185     0.093428844    -0.019553259
F      -2.587724369     0.043900494    -0.043615344
C      -0.527808282    -1.065463750    -0.035919831
N       0.837687532    -0.963804589    -0.009783077
C       1.502438548     0.323695780     0.034055473
O       2.705495829     0.308131361     0.054417624
N       0.692257494     1.460502508     0.048665286
H      -1.192936704     2.305966976     0.037401087
H      -0.978576225    -2.065695824    -0.068848329
H       1.418786354    -1.798596765    -0.020729749
13
1H_2pyramidinone_0_3_1
C      -0.381685469     1.814764804     0.077396632
C      -1.056278898     0.577257358    -0.011265275
F      -2.378687660     0.550521788    -0.063448301
C      -0.327555635    -0.622360024    -0.044060309
N      -0.898500990    -1.864908893    -0.129146701
N       1.046312001    -0.529719298     0.013462264
C       1.726705276     0.769637249     0.105363373
O       2.926442793     0.706172165     0.148152019
N       0.933729390     1.900364917     0.132260468
H      -0.941061273     2.765819229     0.104149814
H      -1.893816080    -1.970846000    -0.172435391
H      -0.352197907    -2.699765939    -0.149932207
H       1.631237672    -1.360454022    -0.006187980
14
1H_2pyramidinone_0_3_2
C      -0.301623560     1.991433510     0.103464890
C      -0.974115472     0.734024388     0.010072812
F      -2.295676819     0.723860400    -0.033365654
C      -0.256680004    -0.444844324    -0.033722754
C      -0.854556307    -1.801082114    -0.130071442
N       1.114138496    -0.350078337     0.016094500
C       1.798426674     0.926301819     0.110962435
O       3.000758329     0.885635248     0.147655603
N       1.006031613     2.071353496     0.150454751
H      -0.868770959     2.937087854     0.138909836
H      -1.957249217    -1.786306039    -0.166668101
H      -0.587006714    -2.431344167     0.735242098
H      -0.526805050    -2.331997489    -1.040150815
H       1.686988173    -1.190720798    -0.013147525
11
1H_2pyramidinone_0_3_3
C      -0.607769642     1.386062550     0.030420649
C      -1.277188125     0.123935672    -0.022070438
F      -2.594484164     0.061043902    -0.050806288
C      -0.513514308    -1.023808466    -0.041891926
F      -1.050664440    -2.224220601    -0.089652472
N       0.848620011    -0.957817195    -0.012278717
C       1.517341975     0.347897605     0.041380869
O       2.715959418     0.318921100     0.064634250
N       0.699648593     1.472883174     0.059559231
H      -1.181736341     2.329321677     0.047935919
H       1.431532156    -1.795818656    -0.026240707
13
1H_2pyramidinone_1_0_0
C       0.734637369     0.601314677    -0.004680010
N       1.892128183     1.329418262    -0.012424997
C       0.763423124    -0.838518553    -0.006741394
C      -0.443049612    -1.492295366     0.001558177
N      -1.612229364    -0.789805778     0.011290250
C      -1.621588059     0.675372078     0.013178334
O      -2.714033683     1.185330734     0.022052123
N      -0.406092364     1.309992614     0.004801227
H       2.783664437     0.890160372    -0.019773806
H       1.852147226     2.332660769    -0.010856828
H       1.701233714    -1.372399357    -0.014521355
H      -0.506857690    -2.588936525     0.000657727
H      -2.511049992    -1.261284390     0.017507446
15
1H_2pyramidinone_1_0_1
C      -0.165809650     1.329777055     0.003710347
N      -0.794549686     2.545538613     0.006081308
C      -0.914105616     0.115960913    -0.002026559
C      -0.192242853    -1.075657918    -0.004015499
N      -0.814344768    -2.304379913    -0.009510937
N       1.182267836    -1.050763178    -0.000525074
C       1.918593194     0.230040198     0.005316291
O       3.117463323     0.107963130     0.007847680
N       1.183222863     1.376957532     0.007179080
H      -1.785143339     2.616829884     0.003889429
H      -0.251102250     3.388622610     0.010152622
H      -1.989482955     0.126659578    -0.004694759
H      -1.811372461    -2.362616686    -0.011974740
H      -0.305650723    -3.160734471    -0.010643260
H       1.734770718    -1.900548823    -0.001891601
16
1H_2pyramidinone_1_0_2
C      -0.092763624     1.510842696    -0.001362711
N      -0.727869328     2.722628337    -0.002894399
C      -0.840959395     0.284418530    -0.001120830
C      -0.131872448    -0.895198345     0.000458646
C      -0.793968773    -2.231727151     0.000920847
N       1.236354373    -0.867500103     0.001733488
C       1.981165319     0.395150554     0.001457443
O       3.181857683     0.282973558     0.002688422
N       1.250772991     1.553782991    -0.000131848
H      -1.719107112     2.789865432    -0.003910875
H      -0.188854321     3.569309203    -0.003052944
H      -1.919162026     0.299441309    -0.002148751
H      -1.892360099    -2.150908530    -0.001135697
H      -0.523430046    -2.823073360     0.890767221
H      -0.520276361    -2.825365991    -0.886420059
H       1.778422546    -1.725796515     0.002915995
13
1H_2pyramidinone_1_0_3
C      -0.338975643     0.904285240     0.000679978
N      -0.972231816     2.112614384     0.001631597
C      -1.090389550    -0.323408992    -0.000509123
C      -0.347194650    -1.476929015    -0.001362242
F      -0.928769696    -2.662563409    -0.002498040
N       1.011582122    -1.488338830    -0.001146856
C       1.752569479    -0.202061447     0.000075552
O       2.948766142    -0.315684949     0.000169822
N       1.006326296     0.941914804     0.000943832
H      -1.965172690     2.181007517     0.001538208
H      -0.433906686     2.960893007     0.002468358
H      -2.170634686    -0.323002783    -0.000709083
H       1.557628571    -2.347850872    -0.001782024
15
1H_2pyramidinone_1_1_0
C       0.955150952     0.086317833     0.102442468
N       2.143886841    -0.557158076     0.247647647
C      -0.288237533    -0.666318971    -0.019976591
N      -0.192179897    -2.090532515     0.020918522
C      -1.451343202     0.054351317    -0.164439787
N      -1.421615353     1.418116310    -0.189843938
C      -0.165154290     2.159345720    -0.065733740
O      -0.269743685     3.360194748    -0.102677780
N       0.984313383     1.428228334     0.077598758
H       2.162537050    -1.559536881     0.272141692
H       2.997416031    -0.040564276     0.332726652
H      -0.502998458    -2.524132058    -0.836741948
H      -0.688735546    -2.489660987     0.804684646
H      -2.426631647    -0.438250231    -0.262432208
H      -2.275192558     1.957166551    -0.296027260
17
1H_2pyramidinone_1_1_1
C       0.171420258     1.312855734    -0.028639003
N      -0.445725379     2.537942317    -0.027234107
C      -0.579682202     0.093345313     0.000129535
N      -2.002538901    -0.019094629     0.027631417
C       0.156551949    -1.108931158     0.019594808
N      -0.463338160    -2.330240530     0.015499689
N       1.531557229    -1.067168428     0.024007551
C       2.259797362     0.211854019    -0.006580443
O       3.460001417     0.102377141    -0.003674847
N       1.517410844     1.355528115    -0.038908997
H      -1.428535954     2.623047382    -0.120770950
H       0.113737602     3.370996879    -0.076486735
H      -2.403433533     0.419036882     0.843092666
H      -2.430766903     0.343913189    -0.810075820
H      -1.472013116    -2.347038701     0.046059419
H       0.029594696    -3.188129049     0.111256330
H       2.088288049    -1.915320259     0.032800041
18
1H_2pyramidinone_1_1_2
C       0.235364792     1.498500826     0.046576343
N      -0.395064643     2.702132774     0.106412837
C      -0.529922536     0.261325335     0.028644251
N      -1.952373763     0.388190071     0.077910850
C       0.175172424    -0.925855613    -0.033773839
C      -0.507770063    -2.251723935    -0.057145829
N       1.541508641    -0.900595127    -0.075677535
C       2.296718114     0.355978981    -0.056481099
O       3.495695220     0.231388374    -0.098086625
N       1.578739237     1.517940103     0.005453189
H      -1.396695403     2.732226881     0.140051924
H       0.131182555     3.553526409     0.119892056
H      -2.397684686     0.011889498    -0.747113284
H      -2.345882318    -0.046502920     0.900549207
H      -1.182572598    -2.339134854    -0.924551070
H      -1.117788748    -2.403428559     0.848597837
H       0.186356846    -3.104210973    -0.113552826
H       2.076905169    -1.762549452    -0.121655815
15
1H_2pyramidinone_1_1_3
C       0.090104806     0.968135446     0.029172577
N      -0.545302925     2.166472767     0.062477242
C      -0.679087218    -0.270867172     0.000411458
N      -2.098184159    -0.167804792     0.008002315
C       0.069841104    -1.429118118    -0.031709346
F      -0.519134884    -2.611840824    -0.059609561
N       1.427701537    -1.440649412    -0.036972449
C       2.174783947    -0.158788284    -0.007230542
O       3.370537168    -0.279936850    -0.014765402
N       1.435200105     0.986570754     0.024564163
H      -1.549301366     2.193431672     0.065936621
H      -0.024460022     3.022038556     0.081623393
H      -2.518117182    -0.554153680    -0.826979242
H      -2.512203593    -0.595243746     0.825745143
H       1.968242804    -2.303823123    -0.060866789
16
1H_2pyramidinone_1_2_0
C       0.970570617     0.236053796     0.060411589
N       2.194449915    -0.366205064     0.162852455
C      -0.263352955    -0.517144711    -0.003266555
C      -0.321864639    -2.000194364     0.036089966
C      -1.424523876     0.211950892    -0.105219115
N      -1.401954762     1.577477368    -0.143421228
C      -0.146992615     2.316121652    -0.077644076
O      -0.241196165     3.518255918    -0.119033077
N       1.004352360     1.577604700     0.023724312
H       2.291939437    -1.354229801     0.198179101
H       3.023534585     0.199893258     0.203853691
H       0.659416304    -2.481192375     0.118950828
H      -0.789036165    -2.409396133    -0.874311096
H      -0.912911552    -2.357532818     0.894870383
H      -2.405292586    -0.278797839    -0.159087889
H      -2.260267616     2.113323657    -0.218639509
18
1H_2pyramidinone_1_2_1
C       0.313993919     1.318491807     0.002560486
N      -0.269091397     2.557522255     0.004183704
C      -0.450736327     0.107791891    -0.000159771
C      -1.935669031     0.085313971    -0.001370789
C       0.277902438    -1.086460569    -0.001692575
N      -0.323877405    -2.326812918    -0.004838951
N       1.654793627    -1.064996432    -0.000307007
C       2.397781061     0.204336377     0.002587445
O       3.597318975     0.081015059     0.003505430
N       1.664036266     1.350686999     0.003834640
H      -1.255134885     2.672550831     0.002968772
H       0.311673888     3.376485147     0.005953637
H      -2.386067884     1.085566626     0.000940637
H      -2.335085124    -0.424254830     0.889512342
H      -2.333671282    -0.419658110    -0.895501553
H      -1.318870721    -2.405690386    -0.005352764
H       0.203250470    -3.171837437    -0.004928031
H       2.200366788    -1.919913073    -0.001469347
19
1H_2pyramidinone_1_2_2
C       0.346669551     1.473980291    -0.001883858
N      -0.241076756     2.710245274    -0.004824903
C      -0.421239427     0.248984022    -0.001456733
C      -1.907446590     0.249744480    -0.004849018
C       0.293855693    -0.931409248     0.002174185
C      -0.330103667    -2.288417803     0.003623724
N       1.666605055    -0.907009972     0.004736398
C       2.418244654     0.341162216     0.003750156
O       3.619928277     0.229426633     0.005982526
N       1.689897380     1.500754910     0.000553882
H      -1.227805955     2.823250822    -0.006201732
H       0.337063012     3.531929722    -0.004839349
H      -2.350689897     1.252154678    -0.009158654
H      -2.312386771    -0.257445584     0.885573102
H      -2.308287538    -0.263010790    -0.893948366
H      -1.429555637    -2.252913059     0.001818472
H      -0.038045829    -2.868054700     0.894418488
H      -0.035181055    -2.871298036    -0.884103120
H       2.199699405    -1.771395895     0.007369784
16
1H_2pyramidinone_1_2_3
C       0.240586814     0.981042277     0.002360756
N      -0.350460625     2.211185417     0.003782590
C      -0.529833078    -0.243701715    -0.001418772
C      -2.011307319    -0.291644025    -0.004198408
C       0.218817328    -1.398271801    -0.002318119
F      -0.360384019    -2.585467936    -0.005611929
N       1.580460885    -1.419496180     0.000030303
C       2.327795197    -0.147554938     0.003767308
O       3.525107094    -0.260597535     0.005602107
N       1.585678106     0.999657675     0.004734549
H      -1.339505873     2.318510336     0.002354328
H       0.221963368     3.037586052     0.006428145
H      -2.485235755     0.696664538    -0.003619974
H      -2.402875149    -0.821238807     0.880926329
H      -2.399632235    -0.818571768    -0.892340516
H       2.115174301    -2.286090137    -0.000696738
13
1H_2pyramidinone_1_3_0
C      -0.475971755    -0.839344962    -0.008034776
N      -1.304141691    -1.920888878    -0.019730943
C      -0.967354772     0.521755673    -0.004410975
F      -2.268982666     0.754823299    -0.012807011
C      -0.077215622     1.566263416     0.007774227
N       1.261371525     1.296148782     0.016181837
C       1.766533980    -0.076186419     0.012457205
O       2.966140026    -0.188830843     0.020599686
N       0.841049914    -1.091428155     0.000242888
H      -2.295978630    -1.829586402    -0.026731601
H      -0.910407603    -2.846415843    -0.021767024
H      -0.400298466     2.616517901     0.011047330
H       1.944236636     2.048122517     0.025280459
15
1H_2pyramidinone_1_3_1
C      -0.154282985     1.350440440     0.002874569
N      -0.771969648     2.566376031     0.004684667
C      -0.880834424     0.118371350    -0.001433093
F      -2.205042022     0.124438619    -0.003918569
C      -0.183851014    -1.093616753    -0.002998957
N      -0.797864424    -2.321039231    -0.007061413
N       1.192230118    -1.051301324    -0.000338417
C       1.927563422     0.228870727     0.004035552
O       3.125861481     0.107679090     0.005939795
N       1.194468051     1.377935312     0.005431962
H      -1.763029153     2.655508065     0.003056745
H      -0.215623311     3.402963301     0.007740777
H      -1.795401057    -2.396356314    -0.009019770
H      -0.276802675    -3.171345159    -0.007972279
H       1.746845072    -1.901280757    -0.001330369
16
1H_2pyramidinone_1_3_2
C      -0.084214357     1.533714119    -0.001898403
N      -0.706567369     2.746430262    -0.004149968
C      -0.811667050     0.286004201    -0.001572257
F      -2.134396181     0.308881131    -0.003530711
C      -0.127650526    -0.909819597     0.000775746
C      -0.778578570    -2.247432954     0.001390215
N       1.243279322    -0.868548204     0.002719142
C       1.986220315     0.391233247     0.002386380
O       3.186696051     0.283600428     0.004255538
N       1.257795652     1.553661642     0.000031544
H      -1.698225512     2.833772776    -0.005676645
H      -0.153096213     3.585927059    -0.004260806
H      -1.879730497    -2.195072031    -0.000653471
H      -0.501570801    -2.835614477     0.892620293
H      -0.498391744    -2.838031886    -0.887237562
H       1.784654619    -1.728647811     0.004480615
13
1H_2pyramidinone_1_3_3
C      -0.323445275     0.924372563    -0.001088588
N      -0.948922375     2.131640148    -0.002741672
C      -1.051515046    -0.323731015    -0.001675050
F      -2.371283042    -0.347121634    -0.003959111
C      -0.326872170    -1.493241572     0.000221372
F      -0.921242533    -2.668752950    -0.000145220
N       1.032861832    -1.489961096     0.002550356
C       1.767648077    -0.203488943     0.003063387
O       2.964074347    -0.309333490     0.005124337
N       1.020446366     0.942224709     0.001179082
H      -1.942756120     2.214399105    -0.004506010
H      -0.400599785     2.975373055    -0.002239041
H       1.580097928    -2.349838134     0.003979883
14
1H_2pyramidinone_2_0_0
C       0.135501264    -0.732974336     0.033460816
C       0.154183692    -2.222645283     0.100122367
C      -1.107158178    -0.020329190    -0.005665645
C      -1.068542383     1.350432243    -0.066574554
N       0.132823173     2.002725468    -0.088569356
C       1.385973093     1.266437990    -0.048326427
O       2.392483855     1.928118231    -0.071853600
N       1.301942691    -0.115671284     0.012797377
H      -0.849128678    -2.664345394     0.113069279
H       0.691352304    -2.570640877     1.000345703
H       0.703270177    -2.649267997    -0.758102370
H      -2.044108049    -0.560604137     0.012904019
H      -1.979907299     1.961329554    -0.099196339
H       0.180710503     3.016267791    -0.133474029
16
1H_2pyramidinone_2_0_1
C      -0.095475601     1.141142685     0.003079640
C      -0.797418788     2.458889390     0.006101874
C      -0.831438816    -0.068496934    -0.001408443
C      -0.120442125    -1.269636390    -0.003992120
N      -0.747507750    -2.494759012    -0.008392285
N       1.255224745    -1.248669693    -0.002140365
C       1.983424786     0.028786488     0.002530840
O       3.182451381    -0.078094715     0.003788481
N       1.232529840     1.179914333     0.004904786
H      -1.888945428     2.361621790     0.003383604
H      -0.504481310     3.060555673    -0.871979761
H      -0.508317309     3.054384050     0.889644009
H      -1.909199121    -0.054307883    -0.002767285
H      -1.745494149    -2.548004590    -0.009810914
H      -0.243939241    -3.354500394    -0.010197333
H       1.805344683    -2.100813010    -0.003913251
17
1H_2pyramidinone_2_0_2
C       1.038653962    -0.822460875    -0.000372762
C       1.656863094    -2.180358277    -0.000214899
C      -0.382168297    -0.671333610     0.000651579
C      -0.908721054     0.601243485     0.000442147
C      -2.373661878     0.875442301     0.001423743
N      -0.062725672     1.680355319    -0.000737005
C       1.382995299     1.509207825    -0.001770418
O       2.033559768     2.523459546    -0.002770124
N       1.862211594     0.211231819    -0.001506470
H       0.916021722    -2.988203255     0.001061650
H       2.310566174    -2.314876810     0.879650852
H       2.308664709    -2.315918173    -0.881330004
H      -1.018125591    -1.545226297     0.001566824
H      -2.968744649    -0.051847950     0.002501251
H      -2.686151684     1.447749898    -0.887270887
H      -2.684759920     1.448924192     0.889846695
H      -0.424781280     2.629502080    -0.000918095
14
1H_2pyramidinone_2_0_3
C      -0.244638486     0.720113910     0.001156461
C      -0.954434657     2.029779086     0.003239712
C      -0.985673536    -0.504910352    -0.001346695
C      -0.253739731    -1.666187186    -0.003127249
F      -0.835647619    -2.851002222    -0.005471457
N       1.108462103    -1.680821745    -0.002593352
C       1.839602594    -0.402712076    -0.000029219
O       3.036556714    -0.494643474     0.000281866
N       1.076550455     0.748678566     0.001730684
H      -2.046727969     1.927566696     0.002603995
H      -0.669438644     2.635969309    -0.875691745
H      -0.670167565     2.632772618     0.884604400
H      -2.068381507    -0.498182684    -0.001782015
H       1.650900152    -2.543636551    -0.003911064
16
1H_2pyramidinone_2_1_0
C       0.781915591     0.131563268     0.048149088
C       2.087736090    -0.581812663     0.146794805
C      -0.468841331    -0.610842470     0.025505291
N      -0.459716895    -2.021043921    -0.024730461
C      -1.637088414     0.110312534    -0.084925508
N      -1.597694114     1.484921976    -0.158222944
C      -0.356471229     2.199740422    -0.128370400
O      -0.405380026     3.403740988    -0.198359953
N       0.807942946     1.440016698    -0.018157365
H       2.197127603    -1.325042950    -0.659717749
H       2.199123469    -1.097186577     1.110809081
H       2.940189399     0.118518343     0.058384959
H       0.274431668    -2.457680480     0.506164335
H      -1.347142804    -2.459945586     0.149922512
H      -2.619729576    -0.367040830    -0.126481483
H      -2.458180294     2.014997952    -0.251395263
18
1H_2pyramidinone_2_1_1
C       0.214057623     1.140899442    -0.034164793
C      -0.489265088     2.458524353    -0.057904457
C      -0.526120976    -0.069052626     0.025501821
N      -1.952844971    -0.173223210     0.069324495
C       0.194362771    -1.284710011     0.044729525
N      -0.434202356    -2.498041758     0.097036404
N       1.570000615    -1.249184151     0.007062060
C       2.292950817     0.025516231    -0.054134638
O       3.492411698    -0.074668831    -0.083249172
N       1.539265986     1.176277328    -0.071294855
H      -1.145441274     2.547517503    -0.934722542
H       0.229689165     3.298848554    -0.105827086
H      -1.095330119     2.606330348     0.846611187
H      -2.334131323     0.281102254     0.887750491
H      -2.380253487     0.221729244    -0.757112898
H      -1.443648932    -2.506506065     0.128535392
H       0.052202980    -3.364459750     0.122236453
H       2.123597728    -2.100073703     0.018579033
19
1H_2pyramidinone_2_1_2
C       0.255100077     1.318878159     0.028969153
C      -0.441423445     2.637571634     0.085964438
C      -0.500570095     0.083286323    -0.011972084
N      -1.912135079     0.116880709     0.116875682
C       0.206082556    -1.106369925    -0.031932807
C      -0.448644970    -2.444570216    -0.040446128
N       1.584670494    -1.071349845    -0.041341052
C       2.316339247     0.165410172    -0.014843368
O       3.520888165     0.090655685    -0.025231627
N       1.568272040     1.336396537     0.019810356
H      -1.129877065     2.686146782     0.945134079
H      -1.013542735     2.836271191    -0.830558003
H       0.278453180     3.470291309     0.201086358
H      -2.341069925     0.924668807    -0.305376543
H      -2.377116957    -0.722967805    -0.184493641
H      -1.074850562    -2.584401970    -0.936012948
H      -1.100475580    -2.570381584     0.842932865
H       0.263836996    -3.282884932    -0.022052748
H       2.115059548    -1.938138944    -0.051256201
16
1H_2pyramidinone_2_1_3
C       0.139267573     0.797415767     0.026910308
C      -0.568677663     2.105219441     0.051045804
C      -0.621338738    -0.438758205    -0.024976047
N      -2.035827620    -0.363626509     0.039624605
C       0.121550109    -1.601618682    -0.057046829
F      -0.454070504    -2.789795967    -0.103307019
N       1.486940324    -1.612206496    -0.015181740
C       2.216918918    -0.347810899     0.039966762
O       3.414967307    -0.432301275     0.071619858
N       1.454438519     0.807989194     0.048391983
H      -1.387545270     2.096567795     0.793071721
H      -1.023895162     2.329799949    -0.926060398
H       0.107950737     2.941160382     0.298591772
H      -2.458202454    -0.152086771    -0.853220965
H      -2.473337494    -1.172990083     0.450833668
H       2.021295358    -2.480575998    -0.013105306
17
1H_2pyramidinone_2_2_0
C       0.806416115     0.273696082     0.002553854
C       2.116496430    -0.437786283     0.063078968
C      -0.433795684    -0.459239113     0.036135883
C      -0.445128530    -1.939647487     0.131864219
C      -1.601203522     0.262483931    -0.023391494
N      -1.569912496     1.630105273    -0.111469294
C      -0.315172904     2.348358916    -0.144092738
O      -0.381051964     3.549659423    -0.222613092
N       0.844485851     1.587497585    -0.081970851
H       2.234426067    -1.130052409    -0.783580756
H       2.212366646    -1.020180136     0.991264993
H       2.967604357     0.267340941     0.029874530
H       0.052192681    -2.289002242     1.050380686
H       0.079095409    -2.403751554    -0.718317953
H      -1.460485510    -2.359587843     0.143583224
H      -2.586807749    -0.218021174    -0.003187301
H      -2.429353383     2.168963476    -0.155806895
19
1H_2pyramidinone_2_2_1
C       0.329138022     1.156099732     0.000029884
C      -0.311526508     2.507658382    -0.000130201
C      -0.417029505    -0.052947145    -0.000400275
C      -1.902354788    -0.090357277    -0.001666646
C       0.308368713    -1.254257364     0.000316105
N      -0.292357777    -2.493972833     0.000251721
N       1.685435305    -1.230134203     0.000956852
C       2.414250713     0.040297173     0.000892244
O       3.614502261    -0.062817138     0.001190834
N       1.658871926     1.185453212     0.000627470
H      -1.406319009     2.477388449     0.001261462
H       0.011804855     3.088260649    -0.882092295
H       0.013879059     3.089515537     0.880254973
H      -2.349359888     0.915419304    -0.003400341
H      -2.300681081    -0.594023873     0.891565134
H      -2.299072869    -0.596223433    -0.894380177
H      -1.288197489    -2.572673423     0.000614645
H       0.233834701    -3.339971523     0.001501614
H       2.233198793    -2.084574278     0.001296076
20
1H_2pyramidinone_2_2_2
C       0.361105723     1.313153712     0.000460044
C      -0.282297634     2.662560554     0.000107158
C      -0.391197338     0.088289231    -0.000492722
C      -1.877808161     0.078526632    -0.002304470
C       0.317745593    -1.098324941     0.000248225
C      -0.304142896    -2.455198733    -0.000306709
N       1.692550518    -1.073804197     0.001670023
C       2.431044661     0.170795719     0.002402365
O       3.633812049     0.082138766     0.003518293
N       1.682430515     1.333092054     0.001796769
H      -1.377404512     2.631596657    -0.001118275
H       0.040852175     3.246274901    -0.880263699
H       0.038897871     3.245757913     0.881537053
H      -2.314872844     1.087607508    -0.002144439
H      -2.281881892    -0.428871436     0.886926230
H      -2.279626711    -0.427656279    -0.893256625
H      -1.404116598    -2.419965721    -0.002373204
H      -0.013464217    -3.036644945     0.889847322
H      -0.010199173    -3.037540052    -0.888787445
H       2.224993907    -1.939546893     0.002229638
17
1H_2pyramidinone_2_2_3
C       0.267535106     0.820644667     0.002392002
C      -0.385217871     2.162072433     0.003876400
C      -0.486581789    -0.404449718    -0.001957463
C      -1.967924528    -0.465197275    -0.005380569
C       0.258181280    -1.563742023    -0.002810441
F      -0.315930988    -2.752817513    -0.006608940
N       1.622597592    -1.582180885     0.000123804
C       2.354177722    -0.314192513     0.004455559
O       3.552746787    -0.400205976     0.006848657
N       1.589083666     0.835277701     0.005323156
H      -1.480923395     2.120289751     0.002450059
H      -0.068799422     2.752332856    -0.875321303
H      -0.071035198     2.749360765     0.885865558
H      -2.439000933     0.528216355    -0.004808967
H      -2.358998946    -0.992710464     0.879853127
H      -2.355048098    -0.989749567    -0.894102783
H       2.157932122    -2.449484671    -0.000573690
14
1H_2pyramidinone_2_3_0
C       0.717751463    -0.242146315     0.058489743
C       2.019294946    -0.954808975     0.160552816
C      -0.535753583    -0.938817280    -0.060531953
F      -0.558358675    -2.260193319    -0.082516305
C      -1.716370840    -0.241018355    -0.152089335
N      -1.673304752     1.126579932    -0.127817712
C      -0.415354868     1.839149867    -0.008379424
O      -0.479272149     3.041452513     0.004060583
N       0.741119022     1.074747827     0.080280304
H       1.934786297    -2.048547728     0.137825722
H       2.545252832    -0.681793404     1.094184219
H       2.696470117    -0.656962858    -0.661363720
H      -2.694247784    -0.731848012    -0.243970765
H      -2.527470317     1.674046620    -0.193433860
16
1H_2pyramidinone_2_3_1
C      -0.091625834     1.157513414     0.001291054
C      -0.779725196     2.478718650     0.001193793
C      -0.803978183    -0.068684331    -0.003197147
F      -2.127850025    -0.075259301    -0.007905978
C      -0.114310710    -1.290618189    -0.002675688
N      -0.729773744    -2.515991848    -0.006768642
N       1.262261747    -1.248450408     0.002257557
C       1.987353907     0.030192922     0.006771864
O       3.185922383    -0.073938972     0.010806266
N       1.235869601     1.181319986     0.005961135
H      -1.874299522     2.412695870    -0.004245086
H      -0.476259220     3.075986405    -0.877759922
H      -0.484718731     3.071565385     0.886001134
H      -1.728215683    -2.589764169    -0.010348005
H      -0.211314332    -3.368400105    -0.006141777
H       1.816865672    -2.099502519     0.002893291
17
1H_2pyramidinone_2_3_2
C      -0.026968293     1.343244133    -0.000094216
C      -0.718960068     2.661110776     0.000377386
C      -0.743230553     0.099566974     0.000307748
F      -2.065545186     0.114177037     0.001084291
C      -0.069018222    -1.104781165    -0.000089393
C      -0.720405433    -2.440885201     0.000331598
N       1.304442532    -1.065978006    -0.000874414
C       2.037699243     0.187337497    -0.001310893
O       3.238920512     0.100409693    -0.001991073
N       1.292033506     1.355860001    -0.000885180
H      -1.813713732     2.593753045     0.000293674
H      -0.422586259     3.259367215    -0.880891535
H      -0.422648382     3.258628348     0.882165776
H      -1.821979040    -2.387114754     0.000289323
H      -0.444075673    -3.031274899     0.890483323
H      -0.444052848    -3.031926581    -0.889371464
H       1.842979567    -1.928955603    -0.001188043
14
1H_2pyramidinone_2_3_3
C      -0.235362146     0.735791477     0.000813782
C      -0.934797836     2.047126364     0.002333447
C      -0.952280328    -0.508493676    -0.000897767
F      -2.271260991    -0.540531188    -0.001242769
C      -0.235821107    -1.685654544    -0.002200271
F      -0.828167479    -2.861508544    -0.003764834
N       1.127081085    -1.682886916    -0.001899889
C       1.850293034    -0.403970877    -0.000191548
O       3.047555813    -0.485709730    -0.000070077
N       1.083874882     0.747907069     0.001092592
H      -2.030119298     1.971336006     0.001924053
H      -0.643916173     2.650596221    -0.877936339
H      -0.644414351     2.648268626     0.884356757
H       1.672197066    -2.545370356    -0.002838430
11
1H_2pyramidinone_3_0_0
C       0.185849871    -1.436147182    -0.042975016
F       0.206138046    -2.752982303    -0.078254422
C      -1.073051310    -0.768520550     0.009754957
C      -1.028998319     0.605552382     0.044659596
N       0.171916771     1.257390157     0.028294745
C       1.438612345     0.536122087    -0.026006807
O       2.437009339     1.204393709    -0.036248041
N       1.363690015    -0.850808526    -0.060445955
H      -2.005945174    -1.320129721     0.021304233
H      -1.941593342     1.216526181     0.086190676
H       0.216558198     2.273717539     0.053782016
13
1H_2pyramidinone_3_0_1
C      -0.309926713     1.778230820     0.000143300
F      -0.930010503     2.941197559     0.000535094
C      -1.079803574     0.597674862     0.000668275
C      -0.364081580    -0.604903589     0.000229673
N      -0.989321215    -1.825973546     0.000667436
N       1.013110753    -0.577781434    -0.000671841
C       1.756979815     0.693873040    -0.001194069
O       2.952513072     0.580585864    -0.001990726
N       1.011825157     1.853103657    -0.000729082
H      -2.159442793     0.623262630     0.001367940
H      -1.989280666    -1.880226927     0.001319842
H      -0.486734949    -2.687448099     0.000337260
H       1.563206534    -1.431732761    -0.001000599
14
1H_2pyramidinone_3_0_2
C      -0.209772403     1.951234211    -0.002243504
F      -0.832468648     3.112634241    -0.003386261
C      -0.984120795     0.758947762    -0.000531976
C      -0.283812726    -0.430489184     0.000623917
C      -0.951194334    -1.760584259     0.002468156
N       1.087204545    -0.406177616     0.000071706
C       1.843650537     0.842623585    -0.001725726
O       3.040980614     0.739247276    -0.002076804
N       1.105824467     2.017129100    -0.002834616
H      -2.066490817     0.791715608    -0.000166760
H      -2.050896960    -1.675215229     0.002767323
H      -0.685185523    -2.356846140     0.891397085
H      -0.685823705    -2.358987888    -0.885212263
H       1.622946149    -1.271465439     0.000904378
11
1H_2pyramidinone_3_0_3
C      -0.542641907     1.362519349    -0.000190521
F      -1.165014218     2.521773243    -0.000393892
C      -1.319710576     0.168433518    -0.000482046
C      -0.586287350    -0.995680584    -0.000210793
F      -1.169804309    -2.177373875    -0.000426901
N       0.776142056    -1.008305708     0.000284111
C       1.527391055     0.262241428     0.000554414
O       2.720656116     0.159775358     0.000959225
N       0.773288365     1.423523493     0.000287784
H      -2.405176367     0.187825176    -0.000893082
H       1.316471083    -1.874830019     0.000491112
13
1H_2pyramidinone_3_1_0
C       1.326555412    -0.017730389     0.078566069
F       2.487064393    -0.637021501     0.166303709
C       0.113028679    -0.807612301     0.032688649
N       0.140417853    -2.206824995    -0.087160527
C      -1.057387898    -0.079831155    -0.044367183
N      -1.025922187     1.296909725    -0.069510257
C       0.202554839     2.036818403    -0.029745532
O       0.140116797     3.238802729    -0.065179587
N       1.379512874     1.286580676     0.056118759
H       0.933589245    -2.668350841     0.324594073
H      -0.719788629    -2.675219205     0.139143704
H      -2.038721651    -0.561412676    -0.094322120
H      -1.894724469     1.821157483    -0.133618121
15
1H_2pyramidinone_3_1_1
C       0.110518519     1.689386805    -0.032228168
F      -0.511153951     2.852471817    -0.059069059
C      -0.668479739     0.508451289     0.000232014
N      -2.091265043     0.420375942     0.007353986
C       0.060145641    -0.707088758     0.028158994
N      -0.569339525    -1.916293286     0.062240134
N       1.437474098    -0.665904827     0.021623113
C       2.177539924     0.603332899    -0.012870534
O       3.374009025     0.496434837    -0.014726624
N       1.430145626     1.761592216    -0.039016424
H      -2.492820851     0.863144473     0.823718926
H      -2.498725387     0.823614114    -0.826366085
H      -1.581239998    -1.924712073     0.064995745
H      -0.086057447    -2.785657663     0.079048050
H       1.990316252    -1.518806222     0.041201973
16
1H_2pyramidinone_3_1_2
C       0.165026374     1.847648653    -0.034107693
F      -0.461837238     3.007485926    -0.063461549
C      -0.620803604     0.648339789    -0.004665268
N      -2.044766634     0.608766531    -0.004110276
C       0.092254403    -0.545594377     0.025545286
C      -0.551205482    -1.884239357     0.058082255
N       1.464702051    -0.503882379     0.025274203
C       2.218570233     0.739626276    -0.005182856
O       3.416840386     0.645630595    -0.002075576
N       1.476411861     1.913538598    -0.034914770
H      -2.440908947     1.057911642     0.810474764
H      -2.440244873     1.012527920    -0.842434260
H      -1.658683336    -1.795987323     0.064046107
H      -0.281507776    -2.457059455     0.958521907
H      -0.294515704    -2.492996033    -0.822513772
H       2.002619365    -1.369315721     0.047056852
13
1H_2pyramidinone_3_1_3
C      -0.016900084     1.342244173     0.010707040
F      -0.632310756     2.504419766     0.005449946
C      -0.816580651     0.134102316    -0.003450811
N      -2.213016991     0.213810261     0.150420630
C      -0.065429446    -1.025734634    -0.036786509
F      -0.632445280    -2.216902212    -0.063745003
N       1.305393463    -1.027728593    -0.018530153
C       2.048783970     0.221820183     0.008571099
O       3.245927623     0.141367924     0.026529087
N       1.291496731     1.388941451     0.003508012
H      -2.677833297     0.758754394    -0.560917771
H      -2.680873063    -0.664486964     0.298696925
H       1.835610561    -1.900462799    -0.013849389
14
1H_2pyramidinone_3_2_0
C       1.315549867     0.183238866     0.081787841
F       2.486179215    -0.414071563     0.175967168
C       0.122992315    -0.608594817     0.025271210
C       0.123235420    -2.089097655     0.067459766
C      -1.052463361     0.103736478    -0.072898424
N      -1.043091077     1.472218344    -0.110956776
C       0.191597410     2.232415826    -0.050397993
O       0.097284949     3.430567889    -0.090277458
N       1.366407771     1.495852959     0.048121675
H       1.129571134    -2.526922309     0.147157831
H      -0.325298728    -2.523490629    -0.840307243
H      -0.443540886    -2.473000534     0.930772345
H      -2.027580874    -0.398662270    -0.123424002
H      -1.912632272     1.995225395    -0.183451099
16
1H_2pyramidinone_3_2_1
C       0.274631833     1.663480685     0.005356070
F      -0.317193604     2.841413408     0.006727343
C      -0.513746742     0.489787752    -0.000288383
C      -1.995941238     0.506082926    -0.005049782
C       0.207466676    -0.716827466    -0.001195917
N      -0.402876124    -1.946652384    -0.006311625
N       1.586488140    -0.693029077     0.003150028
C       2.338462100     0.567896871     0.008788702
O       3.534441782     0.450316697     0.012113132
N       1.597027953     1.727605609     0.009637667
H      -2.415517008     1.524353048    -0.003649204
H      -2.415481761     0.013689364     0.885493713
H      -2.409648119     0.018543006    -0.900980780
H      -1.401591851    -2.014162156    -0.009507167
H       0.113086373    -2.799788100    -0.006877602
H       2.129769674    -1.551962983     0.002560223
17
1H_2pyramidinone_3_2_2
C       0.314689604     1.814524152    -0.002845708
F      -0.283314228     2.989212909    -0.004991716
C      -0.477269674     0.624069702    -0.001209268
C      -1.959693825     0.663947451    -0.001949895
C       0.232474651    -0.564132649     0.001070512
C      -0.398326368    -1.913752425     0.003092978
N       1.607862918    -0.537744347     0.001561357
C       2.367395231     0.699415808    -0.000227221
O       3.566065963     0.599339716     0.000364668
N       1.628990163     1.873732322    -0.002432806
H      -2.372715695     1.683640874    -0.003725396
H      -2.381026033     0.171902222     0.888890947
H      -2.380185936     0.169131474    -0.891654790
H      -1.499365215    -1.867731727     0.002696115
H      -0.113323771    -2.499202927     0.893108323
H      -0.112803662    -2.502113890    -0.884835372
H       2.137658702    -1.407124657     0.003225068
14
1H_2pyramidinone_3_2_3
C       0.175987893     1.330680493     0.000150267
F      -0.423329449     2.502294233    -0.000934553
C      -0.618640809     0.139940275    -0.000973889
C      -2.097818883     0.133204538    -0.003444503
C       0.123331039    -1.023634486     0.000410761
F      -0.455492270    -2.207987730    -0.000327259
N       1.488766715    -1.040621560     0.002593294
C       2.243209728     0.217961416     0.003568744
O       3.437923264     0.118229109     0.005443580
N       1.491106044     1.381231207     0.002227198
H      -2.540232086     1.140754991    -0.004287538
H      -2.508448869    -0.378117225     0.883318038
H      -2.505449231    -0.378293739    -0.891488650
H       2.020791295    -1.912237218     0.003592866
11
1H_2pyramidinone_3_3_0
C       1.356222386    -0.528862949     0.058432857
F       2.497946790    -1.177798319     0.105028106
C       0.131854131    -1.271166460    -0.010221040
F       0.156659429    -2.589358098    -0.026236856
C      -1.051507801    -0.572131499    -0.058085275
N      -1.009338097     0.795644329    -0.038247041
C       0.242844414     1.533078037     0.031596088
O       0.165466733     2.731419883     0.043402157
N       1.415230438     0.780836695     0.078300380
H      -2.031945256    -1.066350874    -0.111700575
H      -1.870466897     1.338663287    -0.072624701
13
1H_2pyramidinone_3_3_1
C      -0.286672135     1.796333542    -0.000898594
F      -0.918070298     2.949577371    -0.001270485
C      -1.041070706     0.601227525     0.000110455
F      -2.361408319     0.642138747     0.000668593
C      -0.351408130    -0.622220671     0.000499832
N      -0.970894341    -1.841129099     0.001436512
N       1.027218162    -0.578119400    -0.000131217
C       1.773159200     0.691636070    -0.001172966
O       2.967835138     0.575985120    -0.001627729
N       1.033293205     1.856116123    -0.001508958
H      -1.971780946    -1.909305375     0.001911693
H      -0.458532488    -2.698178135     0.001697388
H       1.578824625    -1.432801556     0.000111562
14
1H_2pyramidinone_3_3_2
C      -0.189966753     1.971424987    -0.002221608
F      -0.824506994     3.122635300    -0.003219321
C      -0.949891441     0.760742643    -0.000360937
F      -2.267796326     0.823225079     0.000325201
C      -0.274885992    -0.444397289     0.000670559
C      -0.933120017    -1.774704085     0.002621031
N       1.099156016    -0.406010948    -0.000150825
C       1.855698503     0.838168789    -0.002045913
O       3.052789536     0.738089038    -0.002602798
N       1.122162093     2.019966980    -0.003023896
H      -2.035596732    -1.713178066     0.003005800
H      -0.662203132    -2.368565610     0.892815786
H      -0.662953317    -2.370816361    -0.886292824
H       1.633787452    -1.273523132     0.000568005
11
1H_2pyramidinone_3_3_3
C      -0.517309838     1.379326806     0.000669098
F      -1.153335264     2.527876996     0.001158273
C      -1.277127935     0.167064725    -0.000357008
F      -2.593843783     0.183625519    -0.000824103
C      -0.561538994    -1.012170350    -0.000825934
F      -1.155477098    -2.185384768    -0.001760791
N       0.802245090    -1.008678674    -0.000335139
C       1.548937824     0.260303344     0.000698975
O       2.742439516     0.164868379     0.001046129
N       0.795410562     1.426054684     0.001157286
H       1.343799270    -1.875786398    -0.000668730
11
1H_4pyramidinone_0_0_0
C      -1.503686680    -0.285522663     0.018035385
O      -2.701015541    -0.418446880     0.030819155
C      -0.803890653     1.006412632    -0.011615276
C       0.549389387     1.057193239    -0.024012455
N       1.301016810    -0.114918732    -0.008925579
C       0.621235596    -1.345839459     0.019242371
N      -0.667189572    -1.444136313     0.031981264
H      -1.426443801     1.895943083    -0.022661675
H       1.116519588     1.994113844    -0.045956600
H       2.307562074    -0.073166448    -0.018135420
H       1.257125204    -2.246513439     0.030220047
13
1H_4pyramidinone_0_0_1
C      -0.274683115    -1.763397869     0.002521688
O      -0.215697700    -2.967075155    -0.001808871
C      -1.527303260    -0.990665492     0.091604774
C      -1.507796528     0.360464295     0.105283845
N      -0.305176711     1.063629423     0.004275213
C       0.885106055     0.305699721    -0.059933508
N       2.071920599     1.045411259    -0.020207669
N       0.918349768    -1.000567556    -0.098730023
H      -2.444891485    -1.568500907     0.146765336
H      -2.408762805     0.979555490     0.177068714
H      -0.284011428     2.060432535     0.153051487
H       2.118054732     1.900946702    -0.540783267
H       2.920497770     0.490399946    -0.072820671
14
1H_4pyramidinone_0_0_2
C      -0.464770852    -1.855268862     0.034059296
O      -0.398707292    -3.058838327     0.028071220
C      -1.714499702    -1.087146194     0.129284045
C      -1.688759501     0.266190379     0.127935542
N      -0.480995531     0.952911775     0.036739187
C       0.715016299     0.210128824    -0.053979343
C       1.979666909     0.998785891    -0.149076266
N       0.731585040    -1.086565232    -0.055894456
H      -2.633509591    -1.660400363     0.198750810
H      -2.589419661     0.885893309     0.196451560
H      -0.468987872     1.960478458     0.036102283
H       1.840032055     2.084957840    -0.137136960
H       2.527140090     0.737726211    -1.074567080
H       2.660517818     0.735571075     0.682543998
11
1H_4pyramidinone_0_0_3
C       0.191778276    -1.534114323    -0.052613666
O       0.256772486    -2.733348380    -0.090689876
C      -1.050933622    -0.749187754     0.017763111
C      -1.031088856     0.603254024     0.056905204
N       0.178828536     1.300776145     0.031581791
C       1.342125638     0.520942021    -0.035421766
F       2.449582691     1.236764932    -0.056130950
N       1.403930388    -0.767195479    -0.075780160
H      -1.975918485    -1.321121842     0.036010645
H      -1.933755068     1.223000301     0.109431116
H       0.197374875     2.310823229     0.060636128
13
1H_4pyramidinone_0_1_0
C      -1.746126016    -0.717510069     0.082831773
O      -2.939936697    -0.875623627     0.121490129
C      -1.061294999     0.562815618     0.012348274
C       0.305514861     0.627152786    -0.036114030
N       1.011344845     1.813247603    -0.189343293
N       1.073378279    -0.544574542     0.019333773
C       0.383609766    -1.782185388     0.074012374
N      -0.896581757    -1.878880613     0.113341063
H      -1.689640249     1.444075091    -0.008127422
H       0.501764846     2.676038606    -0.120445368
H       1.977702175     1.868025443     0.053057538
H       2.072929628    -0.513540164    -0.102532420
H       1.034343220    -2.671009908     0.097042646
15
1H_4pyramidinone_0_1_1
C      -0.845735768     1.779772444     0.003026396
O      -1.372073411     2.863404176     0.023519527
C      -1.547726253     0.500481902    -0.016148476
C      -0.861744566    -0.679114852    -0.007666834
N      -1.469471857    -1.927963573     0.085209661
N       0.546436697    -0.701700597    -0.059201975
C       1.197664780     0.564783619    -0.003960520
N       2.592107139     0.488967257     0.116979320
N       0.582522767     1.708212927    -0.024660545
H      -2.629207843     0.551808692    -0.024580674
H      -2.467651190    -1.964478396    -0.031326796
H      -0.983698428    -2.744172275    -0.226837239
H       1.046729639    -1.537241671     0.216505457
H       3.073584339    -0.193074967    -0.440430741
H       3.060103575     1.390374099     0.139029195
16
1H_4pyramidinone_0_1_2
C      -1.054618224     1.738843594     0.000039790
O      -1.574266659     2.826794114    -0.000215436
C      -1.753220689     0.465713678     0.002872478
C      -1.057185693    -0.714647633     0.002872814
N      -1.666955665    -1.953763921     0.005165100
N       0.344534305    -0.713497356     0.000273350
C       1.011433801     0.543052466    -0.002546439
C       2.503553130     0.474518079    -0.005353544
N       0.379697034     1.665726075    -0.002640649
H      -2.834092545     0.508441254     0.004880234
H      -2.665247481    -2.012760819     0.007588170
H      -1.156445516    -2.804972056     0.005834927
H       0.865373553    -1.574983389     0.000069627
H       2.913373445    -0.540840797    -0.004966110
H       2.912551865     1.004849233     0.875278794
H       2.909149971     1.002804604    -0.888781240
13
1H_4pyramidinone_0_1_3
C      -0.377131446     1.866885665     0.008278876
O      -0.899773096     2.949206383     0.009770978
C      -1.054387288     0.580759337     0.011369020
C      -0.362713012    -0.601244151     0.000768506
N      -0.963651525    -1.844471680    -0.071245733
N       1.044877537    -0.603139428     0.020911745
C       1.657463135     0.668812635     0.003497889
F       2.973961364     0.589547273    -0.001446242
N       1.067809523     1.807961276     0.007430047
H      -2.137972383     0.617663124     0.015322941
H      -1.962479064    -1.899213900     0.013219246
H      -0.461502090    -2.680011418     0.140591567
H       1.573287690    -1.460498395    -0.060204151
14
1H_4pyramidinone_0_2_0
C       2.028562904     0.237468432     0.002091584
O       3.113699252     0.761807932     0.001684435
C       0.750565132     0.954757116    -0.002540279
C      -0.428777222     0.283346933    -0.001712233
C      -1.764723844     0.942413855    -0.006228258
N      -0.433271956    -1.114285242     0.003634006
C       0.799575160    -1.793228881     0.008052093
N       1.941325035    -1.190626365     0.007427183
H       0.808504110     2.038165502    -0.006606708
H      -1.677164806     2.042357998    -0.009972726
H      -2.359230259     0.681203537     0.883111284
H      -2.356281650     0.674910259    -0.895667317
H      -1.306685485    -1.617093446     0.004263768
H       0.738848983    -2.893911140     0.012173428
16
1H_4pyramidinone_0_2_1
C      -0.721452486     1.936046368    -0.010744932
O      -1.258052598     3.015546465    -0.004652448
C      -1.434343117     0.650213170    -0.009424340
C      -0.762923106    -0.525715015    -0.002624737
C      -1.414546727    -1.865449422     0.016749211
N       0.638743233    -0.539745681    -0.028365317
C       1.305664985     0.705472203    -0.007630415
N       2.699714885     0.635228365     0.106562947
N       0.698009583     1.860887475    -0.035555015
H      -2.517714738     0.708706557    -0.010478275
H      -2.513453970    -1.783821164    -0.037871626
H      -1.188239000    -2.421175805     0.940125081
H      -1.105914948    -2.490380689    -0.835662891
H       1.139888092    -1.404194529     0.108345415
H       3.183808909    -0.062068164    -0.426973838
H       3.168490669     1.535976093     0.116292006
17
1H_4pyramidinone_0_2_2
C      -0.923422780     1.889903411    -0.000352467
O      -1.456017945     2.971717102    -0.000543049
C      -1.634396733     0.607826208     0.002487428
C      -0.953263890    -0.565032812     0.002510644
C      -1.601130974    -1.907104254     0.005302869
N       0.444081412    -0.560953665    -0.000207946
C       1.122969561     0.676708885    -0.002933783
C       2.615345280     0.610499319    -0.005770224
N       0.501089735     1.813225401    -0.003020783
H      -2.717705979     0.659356024     0.004527443
H      -2.701589768    -1.827930955     0.007148941
H      -1.329435994    -2.495998271     0.894997435
H      -1.332574883    -2.498201287    -0.883882289
H       0.951546227    -1.431946494    -0.000191088
H       3.024570963    -0.405185979    -0.005294851
H       3.024774770     1.141662863     0.874184939
H       3.021321741     1.139454330    -0.888651162
14
1H_4pyramidinone_0_2_3
C      -0.266873237     2.039377807    -0.002685480
O      -0.798488269     3.117522258    -0.003831541
C      -0.960398157     0.746544179    -0.000455301
C      -0.286156669    -0.430140718     0.000774152
C      -0.930257608    -1.771151922     0.003075784
N       1.116748787    -0.433604059    -0.000109937
C       1.745949527     0.819651704    -0.002254755
F       3.062613619     0.738835972    -0.002969422
N       1.167977243     1.971983611    -0.003496577
H      -2.046122819     0.794813579     0.000154632
H      -2.031503892    -1.696573780     0.003588716
H      -0.659888317    -2.362006562     0.893197659
H      -0.660890974    -2.364593398    -0.885626835
H       1.631060706    -1.303987776     0.000793020
11
1H_4pyramidinone_0_3_0
C      -1.524918188    -0.297097200     0.024355613
O      -2.717657645    -0.445415732     0.041619184
C      -0.836737942     1.000896803    -0.011253829
C       0.514997419     1.027349335    -0.027868262
F       1.208448377     2.150128592    -0.059863840
N       1.300727483    -0.119391964    -0.012933124
C       0.612577605    -1.357672728     0.021416940
N      -0.671137721    -1.448600321     0.038579389
H      -1.460416512     1.891005253    -0.022660199
H       2.310929584    -0.073291383    -0.025897570
H       1.257618968    -2.251823622     0.032686714
13
1H_4pyramidinone_0_3_1
C      -1.120574126     1.414042778    -0.013168924
O      -1.656823577     2.490739878    -0.007446698
C      -1.835189086     0.124019639    -0.009662210
C      -1.124068168    -1.022346848     0.002915590
F      -1.684876821    -2.217309049     0.019845583
N       0.269322595    -1.069983470    -0.018820054
C       0.926787441     0.192356792    -0.007244224
N       2.313847445     0.133174105     0.105219164
N       0.299393081     1.334968127    -0.040037385
H      -2.921040419     0.166000096    -0.014285470
H       0.774688895    -1.935402012     0.119073942
H       2.810343454    -0.597457798    -0.368193949
H       2.787149795     1.030891692     0.098197641
14
1H_4pyramidinone_0_3_2
C      -1.333018458     1.398712447     0.001610882
O      -1.860304722     2.479747115     0.001854815
C      -2.048347991     0.114492995     0.004022956
C      -1.331098264    -1.030887277     0.003479193
F      -1.892041904    -2.226348995     0.005534848
N       0.058003648    -1.064423758     0.000722364
C       0.730432758     0.188861521    -0.001609804
C       2.219881536     0.124245761    -0.004559988
N       0.093448751     1.312716202    -0.001195390
H      -3.134064465     0.152355687     0.006156528
H       0.569067517    -1.937254859     0.000374241
H       2.633373822    -0.890884204    -0.004557788
H       2.631209907     0.655022062     0.875744437
H       2.627664301     0.653569071    -0.887384494
11
1H_4pyramidinone_0_3_3
C      -0.605975080     1.450238206    -0.000505575
O      -1.135882249     2.526238751    -0.000821746
C      -1.299889747     0.153631800     0.000692791
C      -0.586414371    -0.994092727     0.000957935
F      -1.141695823    -2.189565947     0.002021232
N       0.808437753    -1.029175165     0.000138907
C       1.427640320     0.239474889    -0.001019076
F       2.742211147     0.165846542    -0.001782794
N       0.830934833     1.379030815    -0.001346134
H      -2.388406096     0.184620414     0.001322591
H       1.329281837    -1.900364038     0.000359584
13
1H_4pyramidinone_1_0_0
C       1.398949681    -0.046316720     0.074672359
O       2.445368090    -0.640239798     0.183774716
C       0.082914676    -0.778917429     0.026273793
N       0.145226176    -2.153969685    -0.030902884
C      -1.081203269    -0.062626182    -0.032339079
N      -1.038027282     1.338483430    -0.074136280
C       0.185269481     1.975014645    -0.065553422
N       1.333123887     1.348906759     0.006848013
H       1.037084220    -2.581182152     0.158844497
H      -0.661696463    -2.695312905     0.189018273
H      -2.066159445    -0.519861195    -0.058766326
H      -1.906087741     1.846552719    -0.127734789
H       0.180555525     3.077689323    -0.115942841
15
1H_4pyramidinone_1_0_1
C       1.381310593    -0.565973688     0.090515184
O       2.433304346    -1.151065009     0.194531601
C       0.068187985    -1.311189927     0.065827322
N       0.149419261    -2.689176040     0.011913975
C      -1.103394706    -0.614091120     0.014441519
N      -1.095882704     0.793655523    -0.011743405
C       0.136115622     1.434941325    -0.071111901
N       0.114285732     2.818562788    -0.274779163
N       1.305267351     0.822635574     0.028431751
H       1.050879987    -3.094521526     0.209364732
H      -0.640687589    -3.232768715     0.284926384
H      -2.084470433    -1.081007296     0.005486818
H      -1.955391939     1.274572624    -0.227297157
H      -0.606287650     3.354672706     0.169737080
H       1.025453443     3.265142768    -0.262610954
16
1H_4pyramidinone_1_0_2
C       1.367239526    -0.785709284     0.087583409
O       2.421151622    -1.369164205     0.187279861
C       0.056943106    -1.528616288     0.093778788
N       0.127932223    -2.906878814     0.065182384
C      -1.111608006    -0.821786574     0.047631722
N      -1.081383931     0.578505704    -0.031664184
C       0.137871673     1.231174520    -0.076544857
C       0.117510681     2.721805511    -0.186742615
N       1.290754990     0.603525216    -0.016982226
H       1.029866282    -3.316407100     0.249953343
H      -0.662483190    -3.441998311     0.352707248
H      -2.094646360    -1.284230511     0.059233090
H      -1.954915672     1.078241552    -0.075501776
H      -0.885829788     3.157187375    -0.238256020
H       0.677201469     3.047056310    -1.083961863
H       0.644122456     3.177371389     0.672782285
13
1H_4pyramidinone_1_0_3
C       1.409054123    -0.051772119     0.069919763
O       2.459452119    -0.641530313     0.110327497
C       0.087157300    -0.782438905     0.027290994
N       0.148004339    -2.148195030     0.167219438
C      -1.080391573    -0.076444916    -0.075776282
N      -1.057255681     1.329444549    -0.118894797
C       0.175415851     1.935593223    -0.040609788
F       0.136741666     3.254422613    -0.065845396
N       1.340918569     1.348058750     0.042347206
H       1.051933105    -2.585697675     0.107970276
H      -0.641169532    -2.711235060    -0.059742126
H      -2.062678392    -0.538673825    -0.121028541
H      -1.928357873     1.836439141    -0.182077592
15
1H_4pyramidinone_1_1_0
C       0.824164724     1.561353164    -0.075215687
O       1.837131319     2.217317618    -0.084880746
C       0.792079830     0.102812840     0.031811920
N       2.000797696    -0.652811275     0.166061615
C      -0.410032891    -0.576621606     0.034937737
N      -0.505737763    -1.962544449     0.012861390
N      -1.613655810     0.140476235    -0.024831792
C      -1.548811713     1.546051990    -0.142822519
N      -0.445744185     2.211026354    -0.159332428
H       2.589460438    -0.259681472     0.895061914
H       2.530685075    -0.639661103    -0.700079494
H       0.380228954    -2.448052006     0.132973316
H      -1.288881583    -2.410565049     0.443261901
H      -2.492036390    -0.348940058    -0.111489171
H      -2.525015372     2.055218052    -0.205453910
17
1H_4pyramidinone_1_1_1
C      -0.420636957     1.704916473    -0.014295001
O      -0.981158842     2.773611022    -0.036080464
C      -1.124240759     0.415866510     0.013364286
N      -2.554666454     0.366263597     0.061483812
C      -0.425354190    -0.769242244     0.017639341
N      -1.024959819    -2.020953945    -0.094635401
N       0.982280195    -0.765503771     0.071628340
C       1.621852827     0.500675585     0.005871911
N       3.014853717     0.446839676    -0.108544492
N       0.997202741     1.644775368     0.012232385
H      -2.907888966     0.979097338     0.791164825
H      -2.952851840     0.675340266    -0.820217284
H      -2.041081020    -1.999830751    -0.033484473
H      -0.602948946    -2.802816017     0.366736224
H       1.490130265    -1.606565970    -0.175178575
H       3.507491664    -0.246166960     0.423547213
H       3.473785528     1.352705108    -0.120690932
18
1H_4pyramidinone_1_1_2
C      -0.627447298     1.673928785    -0.079088962
O      -1.182458371     2.744833842    -0.133563642
C      -1.328778975     0.392271858     0.003472806
N      -2.758725568     0.336972352     0.055872994
C      -0.621282442    -0.790688714     0.062942453
N      -1.220952412    -2.045157855     0.022314885
N       0.779462640    -0.764285284     0.085476718
C       1.433819806     0.488920883    -0.014505866
C       2.925651985     0.423763964    -0.019228668
N       0.796445088     1.610742275    -0.081576718
H      -3.114696706     0.982797816     0.755043092
H      -3.159711910     0.599794501    -0.839309334
H      -2.236391873    -2.025525969     0.085474042
H      -0.789908406    -2.810379068     0.499953660
H       1.304558512    -1.625219886     0.042515259
H       3.314377936    -0.114971928    -0.895384400
H       3.324086343    -0.048495632     0.890221053
H       3.354044349     1.446487762    -0.060119894
15
1H_4pyramidinone_1_1_3
C       0.044977438     1.776252520    -0.035083847
O      -0.506824505     2.846091648    -0.058740584
C      -0.640424045     0.484319327     0.007030222
N      -2.069482980     0.416970279     0.057469601
C       0.062304541    -0.705606293     0.024707774
N      -0.536344527    -1.949979980    -0.055689309
N       1.469538280    -0.687024065     0.048452030
C       2.074003559     0.582650414    -0.006661644
F       3.390865013     0.517198168    -0.007337148
N       1.479195867     1.723073516    -0.036077317
H      -2.431890571     1.003173881     0.803564539
H      -2.477009097     0.735737695    -0.816096204
H      -1.551940547    -1.942388499     0.002561984
H      -0.090555502    -2.752406808     0.338799674
H       2.001019037    -1.545541048    -0.022176328
16
1H_4pyramidinone_1_2_0
C       0.828141992     1.753008765    -0.088841518
O       1.852610837     2.390065697    -0.159695456
C       0.832586526     0.257437926    -0.001908426
N       2.077743908    -0.346895626     0.159126341
C      -0.352593878    -0.428306342     0.018664804
C      -0.449808521    -1.910531724     0.092621206
N      -1.560026103     0.288851319    -0.033953202
C      -1.530815251     1.672429625    -0.080298825
N      -0.430802386     2.373861992    -0.108934489
H       2.869239455     0.261578478    -0.000134824
H       2.191869343    -1.269090873    -0.211369258
H       0.138398908    -2.300786881     0.942949846
H      -0.060013669    -2.386713446    -0.821320681
H      -1.475144977    -2.278859064     0.231041721
H      -2.428548307    -0.223691683    -0.016206458
H      -2.504775792     2.191044161    -0.101117076
18
1H_4pyramidinone_1_2_1
C      -0.320408703     1.861601445    -0.041298673
O      -0.900457470     2.920149653    -0.103574680
C      -1.061768599     0.556016491    -0.020333780
N      -2.451253104     0.642416268     0.088651128
C      -0.374798622    -0.624364678    -0.000009163
C      -1.022308703    -1.963176019     0.019433315
N       1.035650700    -0.611893652    -0.022952193
C       1.685897837     0.620084344     0.026500572
N       3.076652723     0.583394843     0.175991620
N       1.074404202     1.787950954    -0.028579999
H      -2.824925759     1.571173674    -0.057701312
H      -2.984473327    -0.078531271    -0.356475604
H      -1.766810558    -2.025855506     0.833773455
H      -0.318664026    -2.791593733     0.175903755
H      -1.550636749    -2.167913837    -0.925608922
H       1.529247955    -1.476809109     0.141755878
H       3.588554642    -0.126969258    -0.311416559
H       3.528253355     1.492414972     0.168125611
19
1H_4pyramidinone_1_2_2
C      -0.518020496     1.825046954    -0.032116467
O      -1.094111260     2.886214406    -0.094944268
C      -1.260227456     0.524691865    -0.013488678
N      -2.649738901     0.605440574     0.094847076
C      -0.565901842    -0.653823297     0.002358992
C      -1.210137599    -1.994641150     0.012861087
N       0.839245055    -0.623922476     0.005029845
C       1.503327396     0.596319336     0.021742741
C       2.997237239     0.559418121     0.052652478
N       0.880077361     1.747684328     0.001691406
H      -3.026695332     1.533796679    -0.044901360
H      -3.180707098    -0.114843618    -0.353986484
H      -1.966832358    -2.058900231     0.815960958
H      -0.506418493    -2.820041043     0.183691346
H      -1.723919802    -2.202179913    -0.939313178
H       1.341873292    -1.498495707     0.016927623
H       3.423715655    -0.448681069     0.078842379
H       3.375353475     1.112624700     0.933112005
H       3.412284686     1.083231758    -0.828814817
16
1H_4pyramidinone_1_2_3
C       0.135312867     1.945384727    -0.037191127
O      -0.437360298     3.004040946    -0.106323416
C      -0.599780174     0.635823288    -0.021144433
N      -1.984019494     0.722702886     0.076458651
C       0.087927319    -0.548287087     0.000333549
C      -0.557733776    -1.886351780     0.007864076
N       1.498275825    -0.530613605     0.015084851
C       2.117075990     0.703468986     0.037014838
F       3.434757024     0.645601409     0.076739855
N       1.540035569     1.871971361     0.009751501
H      -2.373792045     1.640716745    -0.083072456
H      -2.525562782    -0.028364207    -0.300362801
H      -1.285051662    -1.969058981     0.835964607
H       0.149386495    -2.718018680     0.135801964
H      -1.104271995    -2.077551952    -0.930034397
H       2.003765210    -1.406381876     0.036343057
13
1H_4pyramidinone_1_3_0
C       0.744836099     1.206890664    -0.011744288
O       1.775602148     1.831566177    -0.037734364
C       0.742594115    -0.300623086     0.043942418
N       1.959987141    -0.921212701     0.239520460
C      -0.468170397    -0.931183999    -0.003221568
F      -0.599683877    -2.245984089    -0.000503049
N      -1.680741200    -0.233053935    -0.073404559
C      -1.624032536     1.153479030    -0.078032981
N      -0.510319266     1.830934045    -0.054022896
H       2.778046892    -0.348854463     0.095843650
H       2.059846739    -1.884598692    -0.006199884
H      -2.555222587    -0.740614701    -0.095509551
H      -2.589389342     1.688308642    -0.112246293
15
1H_4pyramidinone_1_3_1
C      -0.575569611     1.395967116    -0.025578978
O      -1.159089527     2.450440836    -0.073432702
C      -1.329557525     0.085747943     0.002108198
N      -2.703162995     0.163111462     0.148158586
C      -0.602309788    -1.066126578    -0.007303723
F      -1.146844728    -2.269780562    -0.018574368
N       0.803256507    -1.087180472    -0.054057300
C       1.444331894     0.154775892     0.002770679
N       2.830440436     0.130021319     0.134419732
N       0.816274404     1.315230540    -0.034530050
H      -3.108745990     1.071968135    -0.021109133
H      -3.260158121    -0.611585654    -0.150647419
H       1.296956246    -1.956287083     0.103784868
H       3.348996500    -0.604895813    -0.306497443
H       3.284733261     1.036559125     0.113942811
16
1H_4pyramidinone_1_3_2
C      -0.789898291     1.383402371    -0.015751591
O      -1.364783718     2.442602830    -0.066814073
C      -1.548922798     0.080846469     0.007789150
N      -2.922381673     0.156695585     0.151130715
C      -0.818084371    -1.071210856    -0.008437105
F      -1.363511074    -2.274743972    -0.029887217
N       0.582689796    -1.079182151    -0.021989413
C       1.240532088     0.148479362     0.003249593
C       2.732657354     0.116231764     0.021081336
N       0.606052187     1.292869759     0.000976756
H      -3.329039744     1.065802141    -0.012903245
H      -3.479109827    -0.617986026    -0.148053710
H       1.082622209    -1.958380853    -0.023460507
H       3.164392523    -0.890952575     0.027144402
H       3.118390809     0.655942598     0.907218565
H       3.140441576     0.655266755    -0.855314602
13
1H_4pyramidinone_1_3_3
C      -0.055330588     1.428133738     0.013883520
O      -0.634764295     2.481611356     0.059599601
C      -0.799192260     0.112167188    -0.003543382
N      -2.168568725     0.183152778    -0.130892071
C      -0.067916215    -1.041941593     0.011732708
F      -0.609142206    -2.245636649     0.033614586
N       1.338062291    -1.051957697     0.018534973
C       1.943588468     0.191939964    -0.009197529
F       3.260388115     0.147970372    -0.027831188
N       1.347633275     1.351093485    -0.006079555
H      -2.592014716     1.084509379     0.023918922
H      -2.727955237    -0.609681493     0.105214453
H       1.846686806    -1.929718073     0.016023285
14
1H_4pyramidinone_2_0_0
C       1.387058967     0.137148718     0.071411688
O       2.463483996    -0.400447781     0.150520478
C       0.094121091    -0.580616702     0.026660430
C       0.120370456    -2.060208842     0.083149031
C      -1.064077534     0.121598440    -0.063420271
N      -1.052784065     1.515868462    -0.114477828
C       0.180379339     2.176292081    -0.070592707
N       1.315028796     1.557393731     0.015030642
H       1.155112298    -2.446385355     0.153859146
H      -0.322553473    -2.516722775    -0.814083498
H      -0.419008185    -2.450655975     0.958510600
H      -2.048244410    -0.354111075    -0.100196839
H      -1.920600193     2.022794414    -0.181238441
H       0.145422690     3.277760759    -0.113179334
16
1H_4pyramidinone_2_0_1
C       1.371827565    -0.384261860     0.084219389
O       2.447032581    -0.926419125     0.152415726
C       0.074597923    -1.105054375     0.059844659
C       0.108607932    -2.583612537     0.139333211
C      -1.084901471    -0.410997532    -0.033996128
N      -1.094359382     0.987901774    -0.077075948
C       0.150233426     1.642846368    -0.075738408
N       0.108221410     3.029536565    -0.261474954
N       1.301188620     1.027576631     0.037747867
H       1.147309667    -2.965599244     0.153802153
H      -0.388325400    -3.057987772    -0.718852083
H      -0.372970041    -2.957034703     1.055153848
H      -2.069172236    -0.887289073    -0.062159784
H      -1.947528325     1.478566399    -0.294648893
H      -0.612398563     3.548678421     0.203804410
H       1.014606771     3.486591023    -0.244237840
17
1H_4pyramidinone_2_0_2
C       1.360589563    -0.602282470     0.074099171
O       2.439124962    -1.139280552     0.136469401
C       0.067579025    -1.321698470     0.087191043
C       0.096220173    -2.799231327     0.183791724
C      -1.091180438    -0.620257407     0.011693344
N      -1.082360826     0.772012881    -0.078117291
C       0.152051741     1.440476868    -0.089024234
C       0.106690650     2.930513575    -0.186234558
N       1.287679817     0.811859255    -0.018939096
H       1.133312834    -3.182308517     0.233678254
H      -0.373325071    -3.279711309    -0.686789510
H      -0.415955887    -3.164461858     1.085780512
H      -2.076891015    -1.094116513     0.016737337
H      -1.952583012     1.276502822    -0.133485948
H      -0.903283936     3.350672754    -0.238022965
H       0.664014720     3.274300734    -1.077989807
H       0.620927579     3.387651238     0.680165479
14
1H_4pyramidinone_2_0_3
C       1.396947652     0.125133428     0.073829685
O       2.471414938    -0.409544449     0.151581180
C       0.095651005    -0.582396137     0.024771165
C       0.122764604    -2.062224099     0.076234025
C      -1.065173432     0.113950726    -0.063739043
N      -1.067984280     1.512680214    -0.110759251
C       0.179954633     2.135491341    -0.061442720
F       0.115566770     3.452110974    -0.108872488
N       1.330463610     1.550961736     0.022585841
H       1.156165457    -2.451890031     0.146578170
H      -0.319674927    -2.516706097    -0.822767996
H      -0.417696523    -2.456742982     0.949616247
H      -2.049890670    -0.362140475    -0.103074809
H      -1.937365981     2.023057483    -0.176566929
16
1H_4pyramidinone_2_1_0
C       0.669135191     1.621217761    -0.059477395
O       1.661334882     2.306726729    -0.054268641
C       0.651714511     0.159713679     0.030689380
C       1.959696200    -0.530603476     0.141285464
C      -0.542462748    -0.514234026     0.000591726
N      -0.660892909    -1.905794207    -0.029447947
N      -1.757688179     0.187668342    -0.067590648
C      -1.705803557     1.593978731    -0.167226536
N      -0.607326673     2.264932167    -0.152630069
H       2.790861623     0.199733693     0.194219474
H       2.167923780    -1.164127806    -0.733066718
H       2.034644248    -1.145738319     1.047738999
H       0.182069399    -2.434351136     0.123370501
H      -1.482633520    -2.332560743     0.350097096
H      -2.624360237    -0.310992188    -0.200645247
H      -2.685060637     2.094875156    -0.239135172
18
1H_4pyramidinone_2_1_1
C      -0.246175400     1.687605001    -0.001516118
O      -0.770754844     2.774000869     0.009184455
C      -0.964067556     0.406697164     0.002535375
C      -2.446120701     0.462945533     0.008305193
C      -0.268459881    -0.772789686    -0.002546408
N      -0.855468952    -2.037910222    -0.092320955
N       1.137960243    -0.781299018     0.006099808
C       1.793801570     0.470078480    -0.000457284
N       3.190541400     0.402241056     0.106816251
N       1.175546697     1.615591177    -0.028765083
H      -2.802545913     1.510667700     0.059167188
H      -2.882793808    -0.051488130     0.874339097
H      -2.878540535     0.039482661    -0.909639920
H      -1.858637629    -2.074524121    -0.019337057
H      -0.388067721    -2.821761972     0.317028603
H       1.651143086    -1.647550572     0.042523885
H       3.672046771    -0.264813784    -0.467273130
H       3.650372805     1.307318887     0.141176692
19
1H_4pyramidinone_2_1_2
C      -0.453532601     1.661646950     0.044728142
O      -0.976407864     2.748470824     0.078041294
C      -1.168063749     0.383360241     0.011834288
C      -2.650314730     0.431039404     0.020830725
C      -0.462302798    -0.790731538    -0.035268639
N      -1.043535177    -2.054558919    -0.176419594
N       0.941335132    -0.784696617    -0.004300868
C       1.606005919     0.465441603     0.007627163
C       3.097723829     0.389642289    -0.001237159
N       0.973945148     1.590402635     0.043339560
H      -3.012465928     1.474482396     0.104577638
H      -3.082345528    -0.112847828     0.871134663
H      -3.081724040     0.033080657    -0.908963044
H      -2.045334651    -2.100788511    -0.087394381
H      -0.566590996    -2.850928916     0.197453812
H       1.456230327    -1.640504534    -0.146032773
H       3.490024458    -0.172098578     0.858474677
H       3.533017737     1.408185459     0.058013775
H       3.483596549    -0.064638104    -0.924987615
16
1H_4pyramidinone_2_1_3
C       0.214580241     1.751388110     0.001783466
O      -0.302473765     2.837640162    -0.003696857
C      -0.487392157     0.465791607     0.007162847
C      -1.970222284     0.513030484     0.011859314
C       0.208525903    -0.716501972    -0.001074593
N      -0.374133155    -1.976156439    -0.103743457
N       1.618723924    -0.720815533     0.035216567
C       2.237641027     0.540901745     0.011540009
F       3.554188111     0.461732327     0.014583845
N       1.652020631     1.685195663     0.010567958
H      -2.337346509     1.556721170     0.064313922
H      -2.404516875    -0.005688229     0.877039875
H      -2.400741744     0.087747373    -0.906508829
H      -1.376236764    -2.025498857    -0.025678393
H       0.109094352    -2.776554799     0.252866122
H       2.137299912    -1.582139239    -0.077578251
17
1H_4pyramidinone_2_2_0
C       0.699903355     1.772940581    -0.070117722
O       1.697813657     2.450847079    -0.061721938
C       0.690953594     0.298126926     0.015940030
C       2.011623182    -0.368605392     0.119220554
C      -0.489318418    -0.378624724    -0.001659578
C      -0.630388117    -1.860385726     0.078347065
N      -1.698089563     0.325268761    -0.101552649
C      -1.667086620     1.722456757    -0.181726269
N      -0.570436658     2.409004288    -0.168778051
H       2.838392510     0.367540763     0.113565528
H       2.198136547    -1.049541964    -0.723463023
H       2.113802683    -0.941084616     1.052208290
H       0.347234569    -2.364511043     0.155541624
H      -1.123488177    -2.275898941    -0.813946905
H      -1.209926301    -2.171848589     0.961020204
H      -2.569421736    -0.181670917    -0.114236299
H      -2.644979867     2.226179685    -0.258510671
19
1H_4pyramidinone_2_2_1
C      -0.170692999     1.824798317     0.014864673
O      -0.703925815     2.906746642     0.045431707
C      -0.897801522     0.535861236     0.014398075
C      -2.378548362     0.601363237     0.039755286
C      -0.216177087    -0.639435719    -0.005753689
C      -0.869065931    -1.978726765     0.008196025
N       1.187192532    -0.647683613    -0.055875715
C       1.852217569     0.591823199    -0.033539317
N       3.249252279     0.527024011     0.053210623
N       1.242664756     1.749123495    -0.039258875
H      -2.736402219     1.646063823     0.111217371
H      -2.802224146     0.064107002     0.899948139
H      -2.822971962     0.181050057    -0.874202057
H      -1.621420770    -2.057759802    -0.796205302
H      -1.404655878    -2.144676544     0.958870704
H      -0.174889879    -2.818452275    -0.124467692
H       1.688454104    -1.513879429     0.073185933
H       3.723780596    -0.160885854    -0.501064228
H       3.712408769     1.430693000     0.059834093
20
1H_4pyramidinone_2_2_2
C      -0.372830397     1.791735240    -0.004087946
O      -0.902653928     2.876283291    -0.006421249
C      -1.103434434     0.507310866    -0.000741702
C      -2.584427036     0.584865728    -0.000484319
C      -0.414179634    -0.664813686     0.001876508
C      -1.029846269    -2.022887916     0.005435461
N       0.987934940    -0.654895861     0.001354983
C       1.666763321     0.573971077    -0.001977147
C       3.159738294     0.513008673    -0.002503699
N       1.045058098     1.713895380    -0.004505906
H      -2.933599165     1.635360474    -0.002880298
H      -3.022372119     0.114722590     0.891410840
H      -3.022884899     0.110487457    -0.889883892
H      -2.131401936    -1.975489136     0.005696925
H      -0.743330288    -2.601607091     0.896837084
H      -0.743941253    -2.605989810    -0.883298909
H       1.491093801    -1.528754756     0.003327633
H       3.571189904    -0.501721367    -0.000341084
H       3.565373957     1.046595883     0.877562367
H       3.564573386     1.042505454    -0.885406312
17
1H_4pyramidinone_2_2_3
C       0.265888013     1.898670361    -0.004447001
O      -0.260811255     2.980614319    -0.007489675
C      -0.451442515     0.604711761    -0.001859631
C      -1.932737200     0.680735714    -0.003378175
C       0.230305980    -0.571984469     0.001666839
C      -0.384006807    -1.928053297     0.004548610
N       1.637904452    -0.572455559     0.002834972
C       2.269864808     0.671315872     0.000197883
F       3.586875933     0.592862340     0.001407164
N       1.693509281     1.827532722    -0.003153919
H      -2.288320562     1.728990104    -0.006114220
H      -2.372351145     0.209374165     0.887652421
H      -2.370694496     0.205284034    -0.893054086
H      -1.486086243    -1.883194765     0.003899459
H      -0.099510706    -2.509317432     0.896160990
H      -0.098623303    -2.513469548    -0.884061608
H       2.146067350    -1.446700738     0.005456123
14
1H_4pyramidinone_2_3_0
C       0.586747088     1.283901296    -0.026608381
O       1.582629369     1.958800423    -0.005625522
C       0.573248894    -0.194675601     0.038003653
C       1.865358853    -0.906466793     0.136405839
C      -0.626895859    -0.825135847     0.003892103
F      -0.746192110    -2.139019701     0.055502880
N      -1.846078454    -0.155848690    -0.088306720
C      -1.793851776     1.251225982    -0.147212168
N      -0.689057204     1.916977087    -0.119729583
H       2.717942783    -0.201354529     0.145273729
H       2.031391659    -1.588094084    -0.712263055
H       1.942834485    -1.503191018     1.058594964
H      -2.722434202    -0.659881799    -0.111247120
H      -2.769168735     1.761163359    -0.219545919
16
1H_4pyramidinone_2_3_1
C      -0.387163537     1.389814983    -0.006376265
O      -0.918983861     2.469872609     0.003067008
C      -1.121397513     0.099070703    -0.003863295
C      -2.599497687     0.136085432    -0.005054262
C      -0.403285052    -1.047834750     0.003725910
F      -0.960249856    -2.244840261     0.018404444
N       0.993727971    -1.095975504    -0.023306128
C       1.651946680     0.157860236    -0.007213832
N       3.040244496     0.102267744     0.102328599
N       1.026778753     1.304971742    -0.037015622
H      -2.978480472     1.175726920    -0.007381593
H      -3.029159505    -0.352522308     0.882948647
H      -3.026638249    -0.355479847    -0.892750057
H       1.492445547    -1.964349200     0.119894874
H       3.535173657    -0.626303737    -0.376065263
H       3.509785852     1.001785433     0.090106028
17
1H_4pyramidinone_2_3_2
C      -0.605937271     1.377465146    -0.000955023
O      -1.130694676     2.461005341    -0.001738083
C      -1.340139253     0.092085754     0.000330577
C      -2.818276713     0.124481315     0.000477057
C      -0.615432546    -1.053174468     0.001290732
F      -1.171158158    -2.251270306     0.002517110
N       0.777455441    -1.085867104     0.001063856
C       1.449458218     0.158583591    -0.000323185
C       2.939749065     0.099248178    -0.000712432
N       0.814101107     1.286974093    -0.001233382
H      -3.200412271     1.162794265    -0.000621528
H      -3.244928942    -0.366297726     0.888837626
H      -3.245142957    -0.368262977    -0.886689978
H       1.282374574    -1.962119105     0.001826222
H       3.355112330    -0.915013353    -0.000028054
H       3.346941263     0.631468835     0.880377907
H       3.346408570     0.630042194    -0.882912969
14
1H_4pyramidinone_2_3_3
C       0.119480327     1.416439498     0.000284814
O      -0.405853131     2.495980740    -0.000365369
C      -0.597625128     0.119923204    -0.000777627
C      -2.076111308     0.146348565    -0.003013138
C       0.122600987    -1.028542907     0.000294629
F      -0.429912841    -2.225696623    -0.000481542
N       1.521044691    -1.065795820     0.002307403
C       2.142851194     0.193395564     0.003077311
F       3.457874624     0.121914998     0.004856874
N       1.549328270     1.337987432     0.002235445
H      -2.467179371     1.181345725    -0.003457561
H      -2.503720393    -0.347749080     0.883700000
H      -2.500992492    -0.347481459    -0.891187581
H       2.033899446    -1.941399673     0.003095209
11
1H_4pyramidinone_3_0_0
C       1.439298548    -0.557555618     0.060722941
O       2.500965124    -1.116968118     0.103983840
C       0.128235977    -1.242852365    -0.008872966
F       0.158356354    -2.559677554    -0.023297230
C      -1.050507981    -0.570784486    -0.055911088
N      -1.028685335     0.823745121    -0.038223919
C       0.208268532     1.477257348     0.027230225
N       1.346715754     0.859849804     0.073088967
H      -2.031120421    -1.054211742    -0.107522053
H      -1.896763428     1.335938411    -0.072501712
H       0.173014593     2.580591090     0.038587000
13
1H_4pyramidinone_3_0_1
C       1.413697604    -1.095499312     0.081489780
O       2.471828109    -1.662755528     0.121733464
C       0.095991948    -1.782483103     0.075235538
F       0.130294711    -3.098282987     0.126097665
C      -1.082750440    -1.116658850     0.017203881
N      -1.077410400     0.281694422    -0.008614750
C       0.173405261     0.930191577    -0.028001688
N       0.135647889     2.314244695    -0.196019316
N       1.328438048     0.311931285     0.051959163
H      -2.065016193    -1.599381001     0.006398477
H      -1.934959293     0.779613903    -0.193367436
H      -0.598311309     2.836621835     0.241989730
H       1.039327959     2.775832517    -0.182690210
14
1H_4pyramidinone_3_0_2
C       1.396671303    -1.309700147     0.076065860
O       2.458290382    -1.871038123     0.112692734
C       0.083293364    -1.993999682     0.098601713
F       0.110139735    -3.309464668     0.163259568
C      -1.093396431    -1.319637937     0.055748645
N      -1.068833500     0.073105266    -0.012367615
C       0.171722087     0.732988941    -0.034554348
C       0.131030450     2.223544061    -0.108277657
N       1.308582595     0.101938824     0.005901737
H      -2.077129072    -1.799011832     0.071079391
H      -1.937379775     0.584818133    -0.044621906
H      -0.877282233     2.650714630    -0.136430784
H       0.674649785     2.580387685    -1.004027062
H       0.662185683     2.667081042     0.755663576
11
1H_4pyramidinone_3_0_3
C       1.448919710    -0.576345468     0.055911580
O       2.506596069    -1.137571936     0.095994137
C       0.127222339    -1.248307763    -0.001773293
F       0.156398892    -2.565039426    -0.007913151
C      -1.051532659    -0.577002879    -0.046134343
N      -1.038619027     0.820990884    -0.037813556
C       0.215919617     1.434637859     0.016764137
F       0.156200231     2.751355430     0.021638129
N       1.368244355     0.846282254     0.060494369
H      -2.034867008    -1.058261557    -0.088963728
H      -1.906817413     1.339286539    -0.070275280
13
1H_4pyramidinone_3_1_0
C       1.213165662     1.471518574    -0.054785125
O       2.211390713     2.139122592    -0.084300870
C       1.172309984     0.010586593     0.020453326
F       2.342123393    -0.600133460     0.075758476
C       0.000312346    -0.706513070     0.028084425
N      -0.096854854    -2.091731683    -0.025751536
N      -1.212956867     0.002072757     0.020281313
C      -1.167058323     1.411745849    -0.057470496
N      -0.075224782     2.093225872    -0.083359019
H       0.754427954    -2.624846675     0.049511518
H      -0.898585625    -2.541834021     0.370332323
H      -2.085990234    -0.496369573    -0.070940248
H      -2.152440919     1.907293706    -0.077087863
15
1H_4pyramidinone_3_1_1
C      -0.822505315     1.802825956     0.001764173
O      -1.368223355     2.872820801     0.023158052
C      -1.513410908     0.505703271    -0.016437877
F      -2.832697364     0.558686458    -0.042057947
C      -0.854633988    -0.694481730     0.001044118
N      -1.449021137    -1.948138820     0.128621961
N       0.555819610    -0.701020847    -0.060228058
C       1.206839238     0.562491335    -0.011533034
N       2.598265081     0.494215959     0.098242403
N       0.595190970     1.712891691    -0.031640450
H      -2.455286462    -1.986839775     0.077766769
H      -0.995986710    -2.736630389    -0.294485477
H       1.052496796    -1.537835108     0.224466646
H       3.082290558    -0.220737310    -0.412122293
H       3.070646207     1.392999460     0.090152878
16
1H_4pyramidinone_3_1_2
C      -1.033653080     1.764190302    -0.047546954
O      -1.576216146     2.836070107    -0.079044387
C      -1.718031383     0.470593953    -0.016958660
F      -3.038000044     0.510630238    -0.040726242
C      -1.047172871    -0.726121777     0.038971014
N      -1.638710696    -1.975880513     0.192361150
N       0.356192615    -0.706170827     0.008377008
C       1.018483575     0.547733568    -0.010897304
C       2.509394922     0.469006258    -0.007312578
N       0.390869264     1.675591495    -0.046122128
H      -2.643474036    -2.025663361     0.139366685
H      -1.170522264    -2.783114967    -0.170218425
H       0.875093244    -1.561794830     0.141519369
H       2.899162502    -0.094055652    -0.867705570
H       2.899264664     0.015494947     0.915529412
H       2.947996655     1.486409539    -0.069291875
13
1H_4pyramidinone_3_1_3
C      -0.347089682     1.889913425     0.001316307
O      -0.886207407     2.960418540    -0.005084026
C      -1.018572436     0.589001746     0.014727770
F      -2.338752705     0.630812676     0.039659196
C      -0.355133204    -0.615070393    -0.000890525
N      -0.948713003    -1.861250320    -0.107570981
N       1.054230379    -0.604176645     0.028189677
C       1.670010442     0.662135062     0.006182361
F       2.985753060     0.582329485     0.008484630
N       1.087279644     1.808713310     0.004350521
H      -1.953243827    -1.915254348    -0.060781791
H      -0.470280651    -2.672522165     0.231497265
H       1.577412424    -1.465049727    -0.073088120
14
1H_4pyramidinone_3_2_0
C       1.208406443     1.673525662    -0.062589492
O       2.211797126     2.333955418    -0.080549963
C       1.175586281     0.198182556     0.005983735
F       2.353256183    -0.393028992     0.048822787
C       0.020481091    -0.521472556     0.024696817
C      -0.078314676    -2.001913710     0.092457973
N      -1.189910271     0.183609136    -0.023847102
C      -1.164897561     1.583252721    -0.088986931
N      -0.075744775     2.282556721    -0.107645717
H       0.910283614    -2.492954699     0.129164340
H      -0.592758725    -2.422365931    -0.786830875
H      -0.617579657    -2.339407732     0.992373073
H      -2.059803311    -0.327715116    -0.011169945
H      -2.149216203     2.081219389    -0.124966434
16
1H_4pyramidinone_3_2_1
C      -0.701560916     1.957576810     0.026723631
O      -1.257572432     3.022341902     0.064408067
C      -1.395471654     0.650274885     0.024670903
F      -2.712609368     0.701617884     0.059429099
C      -0.746012814    -0.543607766    -0.005277869
C      -1.421967197    -1.866021615     0.006571017
N       0.655415048    -0.539755202    -0.065330390
C       1.316255333     0.705601489    -0.040656566
N       2.709464787     0.645579248     0.037374925
N       0.707252940     1.865718656    -0.036215373
H      -2.146021896    -1.952291564    -0.824735125
H      -2.000034210    -2.010177401     0.937598176
H      -0.737550561    -2.720141411    -0.082402782
H       1.159881430    -1.406947159     0.047373386
H       3.190030939    -0.064811086    -0.480548132
H       3.177816582     1.546179756     0.034464666
17
1H_4pyramidinone_3_2_2
C      -0.902156678     1.916182234    -0.001158001
O      -1.451502889     2.985295595    -0.001749765
C      -1.602344220     0.615127048     0.001979510
F      -2.919275618     0.678864469     0.004244154
C      -0.949448178    -0.578148261     0.002534886
C      -1.590771144    -1.918431534     0.005595377
N       0.451711226    -0.559557711     0.000018868
C       1.128430205     0.672837845    -0.002943044
C       2.620475749     0.609549004    -0.005454899
N       0.512018583     1.816694395    -0.003507813
H      -2.693590160    -1.861033306     0.007362316
H      -1.315394797    -2.505208652     0.896668753
H      -1.318391857    -2.507849084    -0.884655313
H       0.956067448    -1.433786713     0.000385446
H       3.032413636    -0.405264411    -0.005057282
H       3.029660127     1.141586700     0.874529974
H       3.026612505     1.139641052    -0.888024946
14
1H_4pyramidinone_3_2_3
C      -0.242902272     2.063529549    -0.002354495
O      -0.792242517     3.128848792    -0.003404762
C      -0.928831522     0.752392176    -0.000588290
F      -2.245695520     0.816113665    -0.000221597
C      -0.280355838    -0.443926426     0.000602634
C      -0.919581196    -1.782775858     0.002446411
N       1.125438523    -0.433794141     0.000102888
C       1.754162953     0.814535990    -0.001576486
F       3.070293908     0.736405770    -0.001936003
N       1.180897267     1.973752663    -0.002736266
H      -2.023084713    -1.728012543     0.002513438
H      -0.646745059    -2.371918916     0.893938857
H      -0.646979604    -2.374306740    -0.887531111
H       1.636292055    -1.307730449     0.000961245
11
1H_4pyramidinone_3_3_0
C       1.210218376     0.991508460     0.006544912
O       2.215654624     1.644111714     0.011231437
C       1.165458563    -0.487763235     0.000195288
F       2.315487125    -1.126102644    -0.000244705
C      -0.018682937    -1.153229114    -0.004953873
F      -0.111339587    -2.466853582    -0.010717937
N      -1.233122264    -0.471775691    -0.004435388
C      -1.177280653     0.937846964     0.001698114
N      -0.074326441     1.607756857     0.006688434
H      -2.112496078    -0.973464520    -0.008313202
H      -2.155606777     1.449362987     0.001991403
13
1H_4pyramidinone_3_3_1
C      -1.092402152     1.438151015    -0.010861208
O      -1.646354599     2.502069183    -0.004460610
C      -1.796469479     0.130438939    -0.006935425
F      -3.111408872     0.158107239    -0.007209054
C      -1.109050737    -1.037734574     0.001985710
F      -1.685602422    -2.221833793     0.016569030
N       0.286522149    -1.071809020    -0.023145246
C       0.941064609     0.187351996    -0.007807792
N       2.325000747     0.136496717     0.101736484
N       0.316670581     1.337285629    -0.038680733
H       0.788157130    -1.940679812     0.110998454
H       2.828527991    -0.613785812    -0.330015036
H       2.800159509     1.032512302     0.082451217
14
1H_4pyramidinone_3_3_2
C      -1.305900290     1.422616444     0.000936604
O      -1.850449979     2.491256235     0.000875576
C      -2.009945820     0.120731863     0.003398606
F      -3.325091946     0.143799647     0.005623904
C      -1.316301581    -1.046207303     0.003344535
F      -1.891803230    -2.231164134     0.005485093
N       0.075400717    -1.064974868     0.000963795
C       0.743188283     0.184041189    -0.001440450
C       2.232647691     0.125362849    -0.004015784
N       0.110122027     1.314443794    -0.001437771
H       0.584127521    -1.940332533     0.000960311
H       2.650729411    -0.888066093    -0.003783614
H       2.642521172     0.658081664     0.876159878
H       2.639392149     0.656385304    -0.886665608
11
1H_4pyramidinone_3_3_3
C      -0.575171504     1.473135767    -0.000765566
O      -1.123853443     2.536209817    -0.001220269
C      -1.260116116     0.159101746     0.000230825
F      -2.575366771     0.177321806     0.000545929
C      -0.567523592    -1.009084208     0.000796076
F      -1.138283387    -2.194252830     0.001712662
N       0.828993238    -1.029955363     0.000434298
C       1.444583370     0.235100691    -0.000593355
F       2.758991472     0.167358726    -0.000959796
N       0.850670465     1.380622217    -0.001148638
H       1.347468318    -1.903723675     0.000875546
11
3H_4pyramidinone_0_0_0
C       1.215200341    -0.052093826     0.005055946
O       2.419483542     0.046563433     0.009847298
C       0.401559287    -1.247923519     0.003548412
C      -0.958103119    -1.153861524    -0.002177963
N      -1.616409205     0.061582159    -0.006731190
C      -0.906631460     1.171021370    -0.005502842
N       0.474008631     1.179377005     0.000146552
H       0.933215192    -2.196179903     0.007196392
H      -1.627363820    -2.024406850    -0.003617689
H      -1.433143894     2.140277830    -0.009113079
H       1.000898913     2.048920518     0.000969861
13
3H_4pyramidinone_0_0_1
C       1.591220842     0.147956483     0.017239459
O       2.639428685     0.746706849     0.037005847
C       1.332225039    -1.265401439     0.004946501
C       0.047808244    -1.736837133    -0.016746002
N      -1.050816742    -0.921330426    -0.032780173
C      -0.850039112     0.408305798    -0.009034469
N      -1.954006384     1.230349853     0.045459762
N       0.409756293     0.986547651     0.002693966
H       2.199170034    -1.918124051     0.015095068
H      -0.197827652    -2.808797366    -0.028182001
H      -2.865405083     0.806247473    -0.016051460
H      -1.890045550     2.207243676    -0.141105707
H       0.544205581     1.992019575     0.034161716
14
3H_4pyramidinone_0_0_2
C       1.754019317    -0.071550135     0.016105941
O       2.796968242    -0.682279710     0.029923845
C       1.534332129     1.355688693     0.003503595
C       0.264482250     1.852756942    -0.011441574
N      -0.851834569     1.042958010    -0.015326069
C      -0.695105988    -0.270655021    -0.004158941
C      -1.890919135    -1.162818894    -0.008181733
N       0.555083788    -0.865296280     0.011393632
H       2.420347767     1.984416133     0.006653156
H       0.034343765     2.926716911    -0.021460149
H      -2.826306771    -0.569564730    -0.021050463
H      -1.933551730    -1.800271323     0.888317530
H      -1.917516738    -1.813704284    -0.895601530
H       0.657891565    -1.876686510     0.019868345
11
3H_4pyramidinone_0_0_3
C      -0.585625092    -1.079035489    -0.033108729
O      -1.006305492    -2.206985620    -0.065953269
C      -1.304138808     0.175102735    -0.007337451
C      -0.642254592     1.366373140     0.029357034
N       0.737751159     1.450607486     0.044045310
C       1.405328976     0.313121766     0.020795690
F       2.721419284     0.365713965     0.034071644
N       0.857939273    -0.947240259    -0.016633763
H      -2.390330871     0.103815452    -0.019040677
H      -1.143021063     2.345098377     0.050022732
H       1.420839221    -1.797547216    -0.033433297
13
3H_4pyramidinone_0_1_0
C      -1.556399895    -0.342346322     0.022939388
O      -2.697483834    -0.741148833     0.041473155
C      -0.328820986    -1.066848470     0.016936663
C       0.879497490    -0.390589470    -0.005863545
N       2.097336818    -1.009721516    -0.013138394
N       0.951760550     1.008159350    -0.023606603
C      -0.173756316     1.691654493    -0.018291399
N      -1.415145299     1.104639260     0.003713525
H      -0.398496891    -2.146813072     0.030897571
H       2.168837885    -2.003265468    -0.002199551
H       2.939768301    -0.469740715    -0.029963117
H      -0.110544693     2.794602832    -0.032344743
H      -2.267439108     1.657178899     0.007248206
15
3H_4pyramidinone_0_1_1
C      -0.917299665     1.508556983     0.007079167
O      -1.357863812     2.633743345     0.012129476
C      -1.574604865     0.250705299     0.002485629
C      -0.839117371    -0.928137636    -0.003040060
N      -1.413873394    -2.169944969    -0.007619656
N       0.549223787    -0.953755823    -0.004403273
C       1.188372600     0.226061453    -0.000181986
N       2.563949223     0.201866720    -0.001775318
N       0.542782482     1.448469649     0.005499587
H      -2.655718781     0.263866961     0.003517780
H      -2.403907262    -2.275145305    -0.007188528
H      -0.843974414    -2.991252617    -0.011540541
H       3.035517660    -0.684241812    -0.005678011
H       3.111863122     1.031578685     0.001629964
H       1.046521528     2.328055060     0.008599627
16
3H_4pyramidinone_0_1_2
C      -1.110488725     1.490290619     0.002795593
O      -1.558100100     2.613737638     0.004034243
C      -1.779187697     0.232830012     0.004205232
C      -1.045819394    -0.942489104     0.002291103
N      -1.609837672    -2.187863323     0.003497901
N       0.351729440    -0.954768101    -0.001071849
C       0.993329012     0.201116015    -0.002442710
C       2.487632816     0.202816527    -0.006024887
N       0.341020053     1.414509623    -0.000687011
H      -2.860776275     0.252465948     0.006780670
H      -2.599071039    -2.303168170     0.005829768
H      -1.032107411    -3.004378700     0.001999715
H       2.885850836    -0.829817003    -0.007661625
H       2.898577536     0.700523227     0.885658406
H       2.894349762     0.701744981    -0.898954840
H       0.853916953     2.291081474    -0.001774981
13
3H_4pyramidinone_0_1_3
C      -0.420216102     1.549051162     0.003143029
O      -0.858227959     2.671584191     0.005474576
C      -1.079594846     0.287300129     0.000858386
C      -0.361916657    -0.898770624    -0.001687656
N      -0.929190974    -2.138271913    -0.003948522
N       1.040828579    -0.921541316    -0.002141441
C       1.645460035     0.249243762    -0.000023548
F       2.964347384     0.245609314    -0.000429957
N       1.045444058     1.477676908     0.002561392
H      -2.163224794     0.310722229     0.001228788
H      -1.919878124    -2.250718868    -0.003915678
H      -0.354468116    -2.959839384    -0.005729317
H       1.566450079     2.352955147     0.004123170
14
3H_4pyramidinone_0_2_0
C       1.749302296    -0.216756217    -0.005150993
O       2.884617868    -0.631682163    -0.009165399
C       0.511319831    -0.955269279    -0.003705305
C      -0.691061466    -0.304238901     0.001133634
C      -2.004846754    -1.001609573     0.002996932
N      -0.767648922     1.082985786     0.004753593
C       0.343222691     1.787654753     0.003520022
N       1.598401079     1.214810053    -0.001213663
H       0.596626735    -2.038333455    -0.006643181
H      -1.906947100    -2.095100016    -0.000514593
H      -2.607824389    -0.711579726    -0.875073328
H      -2.602511665    -0.716766491     0.886381914
H       0.272996476     2.888749060     0.006398053
H       2.442838687     1.780293807    -0.002051121
16
3H_4pyramidinone_0_2_1
C      -0.793136941     1.683643825    -0.001655307
O      -1.253069697     2.800494060     0.002794150
C      -1.453691671     0.411629636     0.001295264
C      -0.735609676    -0.757832790    -0.003231807
C      -1.371676788    -2.105255265    -0.000993378
N       0.640598426    -0.777293839    -0.017839332
C       1.293678899     0.393777495    -0.003522023
N       2.672740366     0.367840427     0.070171870
N       0.655370750     1.623319036    -0.012021047
H      -2.538324359     0.431996233     0.009341134
H      -2.468273048    -2.054514117    -0.001961296
H      -1.057712435    -2.687185307     0.882313517
H      -1.056590933    -2.692175896    -0.880403617
H       3.127096926    -0.529818572     0.014723654
H       3.217554595     1.164371350    -0.183025737
H       1.165893477     2.499735535     0.017150642
17
3H_4pyramidinone_0_2_2
C      -0.978155620     1.657870830     0.001369714
O      -1.447004259     2.772421518     0.001906518
C      -1.652126489     0.385862443     0.003184926
C      -0.937436311    -0.780674870     0.002159835
C      -1.566848197    -2.129414853     0.003942288
N       0.448630779    -0.789433623    -0.000627920
C       1.105270833     0.356878134    -0.002347746
C       2.598090822     0.356312870    -0.005320995
N       0.459571878     1.580549298    -0.001494593
H      -2.737531654     0.414107987     0.005376899
H      -2.663795100    -2.086306910     0.005208171
H      -1.247621704    -2.712464958     0.884934092
H      -1.249703274    -2.713884701    -0.876857947
H       2.992391051    -0.678417138    -0.005821336
H       3.011695697     0.852487887     0.885951682
H       3.008149529     0.852000719    -0.898501477
H       0.980359849     2.453155136    -0.002854834
14
3H_4pyramidinone_0_2_3
C      -0.306002290     1.745439466    -0.001951658
O      -0.763630521     2.859955780    -0.003131174
C      -0.976357712     0.470459317    -0.000289738
C      -0.280518026    -0.707373078     0.000898259
C      -0.917710762    -2.049500183     0.002624653
N       1.110030710    -0.732296550     0.000564294
C       1.733750739     0.427338146    -0.000952338
F       3.051644911     0.419441220    -0.001290992
N       1.143824724     1.667751151    -0.002239500
H      -2.063665093     0.506387047    -0.000045790
H      -2.014805388    -2.001246954     0.002816622
H      -0.603587974    -2.637622897     0.883746216
H      -0.603991727    -2.639700431    -0.877250645
H       1.675189825     2.537643606    -0.003395196
11
3H_4pyramidinone_0_3_0
C      -1.235304587    -0.043219851    -0.026485497
O      -2.422626330    -0.251602569    -0.051244576
C      -0.527801327     1.213860285    -0.016200561
C       0.836046778     1.197938522     0.013321113
F       1.543318516     2.307101482     0.024272867
N       1.612852351     0.055691524     0.034555099
C       0.985627558    -1.105507620     0.025581309
N      -0.386754368    -1.214752170    -0.003559372
H      -1.128196911     2.121509851    -0.032767133
H       1.591244008    -2.029685699     0.042250636
H      -0.846344678    -2.123429761    -0.009865686
13
3H_4pyramidinone_0_3_1
C      -1.191969817     1.094124160    -0.001333272
O      -1.650063324     2.208721550    -0.001078351
C      -1.845713410    -0.181097711    -0.004162922
C      -1.082378081    -1.318605764    -0.003795258
F      -1.634345188    -2.513919716    -0.006315208
N       0.284244657    -1.363828970    -0.000937963
C       0.926177166    -0.177074960     0.001810167
N       2.295916823    -0.196888021     0.004893074
N       0.264393842     1.039588726     0.001748760
H      -2.932259448    -0.182718971    -0.006494248
H       2.770822786    -1.085263925     0.004750211
H       2.845311298     0.633295904     0.006516153
H       0.762792264     1.924684688     0.003890833
14
3H_4pyramidinone_0_3_2
C      -1.388040298     1.104866536     0.003397774
O      -1.855063367     2.216955345     0.005055585
C      -2.058094027    -0.170142629     0.003774898
C      -1.299641397    -1.305213778     0.001575697
F      -1.845862946    -2.502544036     0.001794704
N       0.077729813    -1.339386828    -0.001042306
C       0.722534230    -0.180555807    -0.001474905
C       2.212901706    -0.170850941    -0.004297825
N       0.057046440     1.029855502     0.000612006
H      -3.145700336    -0.161456977     0.005816588
H       2.616766017    -1.203822848    -0.005646627
H       2.625716323     0.326720724     0.887448378
H       2.622314391     0.327716529    -0.897058289
H       0.568628589     1.910101719     0.000247507
11
3H_4pyramidinone_0_3_3
C      -0.647679078     1.070408928    -0.000535395
O      -1.105381712     2.181918277    -0.001130979
C      -1.311537869    -0.208602056     0.000273434
C      -0.570316937    -1.354726514     0.000849794
F      -1.124043760    -2.546274666     0.001616589
N       0.812200634    -1.401856376     0.000716372
C       1.422253751    -0.229230723    -0.000028849
F       2.738292268    -0.223798923    -0.000209358
N       0.809292652     0.997611865    -0.000669475
H      -2.401548696    -0.194178345     0.000382045
H       1.329966925     1.876351822    -0.001227019
13
3H_4pyramidinone_1_0_0
C      -0.024100599    -1.089204532    -0.031052629
O      -0.507601650    -2.201780774    -0.063594037
C      -0.788768315     0.176891532    -0.032979602
N      -2.156308782     0.063633590    -0.216862221
C      -0.110614239     1.369460928     0.054781864
N       1.267284073     1.423772328     0.120194668
C       1.961722458     0.319186625     0.102071025
N       1.371549182    -0.948933043     0.032359448
H      -2.556432892    -0.854981865    -0.118593098
H      -2.739009224     0.822900283     0.069276166
H      -0.605155579     2.342750284     0.069020825
H       3.058804632     0.357303980     0.146823328
H       1.939832135    -1.791098851     0.033002371
15
3H_4pyramidinone_1_0_1
C      -0.569480248    -1.144482349    -0.023787184
O      -1.033349171    -2.263089660    -0.058000269
C      -1.321020544     0.116158508    -0.005728360
N      -2.714385906     0.014707996     0.136228061
C      -0.643479320     1.309963246    -0.000354802
N       0.731365568     1.381202489    -0.023548443
C       1.429304277     0.254845558     0.004043829
N       2.819282859     0.306623325     0.125513420
N       0.841862758    -1.015238884    -0.019704847
H      -3.081652594    -0.916365408    -0.000999910
H      -3.250249400     0.717336780    -0.339683450
H      -1.142552034     2.284274399     0.015660078
H       3.220717869     1.235306339     0.120365314
H       3.365400844    -0.378330758    -0.361894523
H       1.402292540    -1.861810340     0.025899390
16
3H_4pyramidinone_1_0_2
C      -0.771640992    -1.164313808    -0.006096117
O      -1.244372107    -2.281529720    -0.035381435
C      -1.539249361     0.095357982     0.010690270
N      -2.918945344    -0.024463080     0.146059659
C      -0.863700033     1.290621677    -0.005005094
N       0.515069082     1.356004352    -0.014712589
C       1.221936305     0.253552049    -0.007233581
C       2.712866038     0.297551931    -0.005704608
N       0.626980279    -1.017251708    -0.007407293
H      -3.299864741    -0.944885395    -0.009222699
H      -3.482065204     0.724698186    -0.204358509
H      -1.361421972     2.263297148    -0.002169112
H       3.073703300     1.344036117    -0.008417049
H       3.140830176    -0.187643387    -0.895596290
H       3.137456858    -0.181517014     0.889373587
H       1.197858057    -1.857943259    -0.015288071
13
3H_4pyramidinone_1_0_3
C      -0.036751299    -1.092848290    -0.028631229
O      -0.514706907    -2.203743966    -0.059483179
C      -0.793957802     0.179128918    -0.028485397
N      -2.162763577     0.066615069    -0.214963745
C      -0.121196413     1.374521649     0.055192600
N       1.259177203     1.441616085     0.118969569
C       1.921920901     0.317313237     0.096821613
F       3.238442480     0.346685959     0.148660893
N       1.368786501    -0.960807347     0.031003316
H      -2.564670026    -0.850227411    -0.108521573
H      -2.743107063     0.826163236     0.077351468
H      -0.616673439     2.348892906     0.068270771
H       1.940830043    -1.804590883     0.028990463
15
3H_4pyramidinone_1_1_0
C      -0.764822549    -1.271892698     0.153118036
O      -0.911785528    -2.465949357     0.294734234
C       0.456961497    -0.528364325     0.052193178
N       1.727996222    -1.181136578     0.114132042
C       0.417145832     0.860255009    -0.110111489
N       1.531657450     1.630891625    -0.212403691
N      -0.797699654     1.553420546    -0.177844977
C      -1.920738711     0.877355334    -0.085951877
N      -1.974718307    -0.488986298     0.074902288
H       1.823434825    -1.860479003    -0.632923766
H       1.843058277    -1.667582490     0.996652228
H       2.433180850     1.187592662    -0.171726506
H       1.468275600     2.619840778    -0.328743356
H      -2.872386960     1.435966367    -0.140804643
H      -2.859439977    -0.984716800     0.142972103
17
3H_4pyramidinone_1_1_1
C      -0.487007200     1.467534521    -0.032137327
O      -0.962563497     2.580827039    -0.050022991
C      -1.148939544     0.202482590    -0.001312672
N      -2.577070202     0.114674757     0.011623655
C      -0.400707736    -0.983996651     0.021608649
N      -0.975340932    -2.216152795     0.058260714
N       0.989282812    -0.981810873    -0.000135315
C       1.615716237     0.198727117    -0.006636838
N       2.998018524     0.197357494     0.075328354
N       0.961777716     1.418697004    -0.042753076
H      -2.959559979     0.580771025     0.826434383
H      -2.972314829     0.550449282    -0.813757413
H      -1.978783192    -2.280226374     0.060449085
H      -0.421997682    -3.045305463     0.068771548
H       3.462863718    -0.695933449     0.034170682
H       3.523943961     0.985332659    -0.241239043
H       1.461762680     2.301813274    -0.022856306
18
3H_4pyramidinone_1_1_2
C      -0.676746106     1.453582120    -0.023956179
O      -1.154452013     2.567054843    -0.045161990
C      -1.353103072     0.191230444     0.003873243
N      -2.781500863     0.115112847     0.010091967
C      -0.610666284    -0.994242429     0.025644284
N      -1.181263817    -2.228060837     0.051801962
N       0.786679531    -0.985604124     0.021394408
C       1.421639174     0.170399813    -0.004137485
C       2.915577134     0.184336829    -0.008893535
N       0.764202032     1.385003983    -0.027002878
H      -3.164541767     0.587438874     0.821687079
H      -3.169775673     0.552292557    -0.818539076
H      -2.184151430    -2.297442269     0.057334494
H      -0.624022474    -3.054959374     0.068025486
H       3.322051836    -0.844817036     0.011734449
H       3.322973071     0.704924377     0.871376491
H       3.317565837     0.666975875    -0.912966046
H       1.275128071     2.263309697    -0.046537819
15
3H_4pyramidinone_1_1_3
C       0.001368739     1.498672557    -0.023417987
O      -0.470068434     2.610223811    -0.042390361
C      -0.664026545     0.230352585     0.003004394
N      -2.091453585     0.148346512     0.010080377
C       0.069182549    -0.963305506     0.022462093
N      -0.502149757    -2.192651997     0.048247225
N       1.471415569    -0.961520615     0.016668884
C       2.065461835     0.211621130    -0.007662930
F       3.383975900     0.222910087    -0.013254460
N       1.455552176     1.439109532    -0.028131513
H      -2.479920881     0.609820329     0.824877881
H      -2.486408290     0.580408095    -0.817618716
H      -1.506485392    -2.260764625     0.052811747
H       0.053320879    -3.023454311     0.060805218
H       1.971562750     2.318086496    -0.046657436
16
3H_4pyramidinone_1_2_0
C      -0.937407559    -1.387757089     0.176782276
O      -1.049144490    -2.584033516     0.348958527
C       0.332986457    -0.650962396     0.068694052
N       1.484440388    -1.443178839     0.020843980
C       0.313099016     0.718194684    -0.082449435
C       1.523886886     1.577182207    -0.192140137
N      -0.886650774     1.412693974    -0.147751046
C      -2.023597705     0.776151136    -0.074858272
N      -2.107173470    -0.607118230     0.087891556
H       1.345942926    -2.412575694     0.269968226
H       2.317139071    -1.045028630     0.411896315
H       2.464138001     1.027050016    -0.079268271
H       1.505330544     2.384729936     0.558951535
H       1.553414273     2.075453641    -1.177697365
H      -2.968730129     1.335210032    -0.137224001
H      -3.005287996    -1.077506080     0.155199487
18
3H_4pyramidinone_1_2_1
C      -0.398261056     1.629139121    -0.019492904
O      -0.900743857     2.730896135    -0.020665584
C      -1.075827213     0.344956207    -0.010164474
N      -2.501629565     0.335164031     0.054054391
C      -0.348406723    -0.827079267     0.018167271
C      -0.960914560    -2.182355435     0.044213451
N       1.030503160    -0.819502989    -0.007591791
C       1.677132372     0.346610353    -0.000300968
N       3.059545556     0.340117190     0.085282975
N       1.032295657     1.579809905    -0.022030254
H      -2.858801049     1.172987707     0.500688422
H      -2.916793197     0.252152707    -0.864762739
H      -2.038293478    -2.138251123     0.279070661
H      -0.479109939    -2.824710564     0.799564069
H      -0.840493964    -2.691146936    -0.924820087
H       3.517403281    -0.557291802     0.035229829
H       3.588404651     1.121870228    -0.242175658
H       1.541643593     2.458087945     0.009435964
19
3H_4pyramidinone_1_2_2
C      -0.568768481     1.618713440    -0.032433324
O      -1.085770653     2.715577383    -0.084750661
C      -1.271688467     0.331201859    -0.015610123
N      -2.669588836     0.387502484     0.095775996
C      -0.546357648    -0.839659669     0.005131178
C      -1.175634132    -2.188351800     0.010732556
N       0.838456724    -0.828975836     0.019488399
C       1.492641736     0.306844548     0.024995015
C       2.984268294     0.327079705     0.054363685
N       0.840564584     1.543345848    -0.003076867
H      -3.061673367     1.308657103    -0.044328871
H      -3.171152789    -0.329480299    -0.396291194
H      -1.889590393    -2.290234655     0.843821635
H      -0.422595607    -2.986674483     0.129194113
H      -1.712023515    -2.389934537    -0.927208535
H       3.390171582    -0.702540414     0.066794180
H       3.370057563     0.830901334     0.953586638
H       3.407233578     0.824545712    -0.831222802
H       1.367185275     2.412526287    -0.010755818
16
3H_4pyramidinone_1_2_3
C       0.090277121     1.685626019    -0.035911998
O      -0.420469850     2.780797782    -0.095779018
C      -0.612260780     0.392997299    -0.025709189
N      -2.006523829     0.460439705     0.071421866
C       0.100280901    -0.786662798     0.004593699
C      -0.533808614    -2.131095505     0.005131479
N       1.488974265    -0.789529338     0.036850420
C       2.107244226     0.360906598     0.048715989
F       3.424607882     0.375509087     0.089049871
N       1.506792097     1.612902530     0.011606492
H      -2.404450142     1.373397082    -0.094402328
H      -2.516762953    -0.283934589    -0.366237148
H      -1.235675368    -2.241995599     0.847585460
H       0.217816964    -2.935349114     0.105987112
H      -1.083126874    -2.324632847    -0.927424352
H       2.041944297     2.480608342     0.011141169
13
3H_4pyramidinone_1_3_0
C      -0.479640729    -0.991405067    -0.000312501
O      -0.574402040    -2.199081018    -0.004955085
C       0.786357005    -0.232902252     0.040900660
N       1.945183523    -0.965740246     0.245458892
C       0.699852795     1.140124985    -0.012485463
F       1.774728955     1.904747510    -0.018688182
N      -0.482700077     1.845783318    -0.076401033
C      -1.607212854     1.179341349    -0.087877551
N      -1.656908567    -0.215540902    -0.057794824
H       1.872331553    -1.961056540     0.101920419
H       2.814800529    -0.559860213    -0.041366210
H      -2.563532300     1.722650642    -0.128010417
H      -2.547918301    -0.706637531    -0.081797751
15
3H_4pyramidinone_1_3_1
C      -0.641724232     1.119306298    -0.014314542
O      -1.151007007     2.216174457    -0.037912555
C      -1.332098158    -0.169492087    -0.000167652
N      -2.729295137    -0.153563568     0.172401258
C      -0.562461023    -1.310211225    -0.003047706
F      -1.100076768    -2.512540630    -0.020228974
N       0.811448706    -1.332667970    -0.040822121
C       1.447483842    -0.164158706    -0.005277481
N       2.830012758    -0.153896604     0.103698215
N       0.783266303     1.064005185    -0.017740669
H      -3.135783491     0.768271637     0.080517757
H      -3.229603497    -0.839434846    -0.368379678
H       3.290363164    -1.053874584     0.068823961
H       3.350633246     0.609363337    -0.280617307
H       1.290824579     1.944585001     0.022860183
16
3H_4pyramidinone_1_3_2
C      -0.842336184     1.128090234    -0.011094792
O      -1.362301600     2.221690438    -0.045576973
C      -1.551541271    -0.161905955     0.004038997
N      -2.935728219    -0.118415371     0.156750967
C      -0.782629980    -1.302292807    -0.006812823
F      -1.322153685    -2.505396425    -0.032253824
N       0.595275399    -1.318873172    -0.011757394
C       1.239689426    -0.175532641     0.000785274
C       2.729353004    -0.143413800     0.013295156
N       0.569101291     1.052292303    -0.004926102
H      -3.357816584     0.783174349    -0.010910515
H      -3.458439090    -0.888563191    -0.217285711
H       3.145202415    -1.170706258     0.014064622
H       3.123651343     0.356936621     0.911319145
H       3.140006384     0.362414191    -0.873990516
H       1.090000681     1.926689137    -0.009741380
13
3H_4pyramidinone_1_3_3
C      -0.095895548     1.103177992    -0.013000530
O      -0.613214881     2.194126816    -0.048873478
C      -0.802585784    -0.193262768    -0.000613501
N      -2.181783493    -0.141129124     0.148012986
C      -0.044413091    -1.342199887    -0.013136016
F      -0.589830917    -2.541220552    -0.042067774
N       1.338279596    -1.368989396    -0.010338982
C       1.944635620    -0.210417619     0.007203847
F       3.260832783    -0.181085174     0.024691837
N       1.322114242     1.032596987    -0.000554773
H      -2.613861723     0.751936521    -0.031361913
H      -2.714881862    -0.932669246    -0.157898703
H       1.850134898     1.906538392    -0.000459853
14
3H_4pyramidinone_2_0_0
C       0.157882099    -1.092379559    -0.030411652
O      -0.262623355    -2.224995693    -0.094946116
C      -0.595192507     0.154322441    -0.027908102
C      -2.071418309     0.059423545    -0.115095097
C       0.071838405     1.342614711     0.052885698
N       1.450039189     1.422427693     0.133564708
C       2.154790640     0.314234373     0.133106405
N       1.577387210    -0.942205898     0.055073314
H      -2.418032823    -0.988600701    -0.169200395
H      -2.462266517     0.566143867    -1.010522864
H      -2.563402296     0.508256427     0.761111588
H      -0.433118505     2.316332162     0.059700570
H       3.253240822     0.374821430     0.197190090
H       2.143718963    -1.786506067     0.056498705
16
3H_4pyramidinone_2_0_1
C      -0.379697438    -1.149847942    -0.019283444
O      -0.787358899    -2.287593718    -0.030199700
C      -1.118368244     0.094619597    -0.014648132
C      -2.599536471     0.010522669    -0.022450068
C      -0.445189244     1.286376129     0.000168644
N       0.923427536     1.382081631     0.002937234
C       1.634933760     0.248878795     0.017299027
N       3.012665726     0.333463691     0.120707471
N       1.055001701    -1.013080090    -0.010609815
H      -2.953482751    -1.035337125    -0.038453300
H      -3.031606190     0.502735374    -0.906022879
H      -3.039644487     0.478364650     0.870406016
H      -0.955327966     2.259381910     0.003471313
H       3.421377749     1.254614024     0.077226883
H       3.591296848    -0.420849925    -0.184716800
H       1.610583249    -1.862417829     0.022618475
17
3H_4pyramidinone_2_0_2
C      -0.583756067    -1.166371038    -0.009312879
O      -1.002125044    -2.301898350    -0.018418071
C      -1.335560425     0.078137054     0.000110053
C      -2.814847988    -0.016018889    -0.001451332
C      -0.664194251     1.267160199     0.009838147
N       0.713588940     1.351705768     0.011129071
C       1.427601329     0.242987286     0.002676512
C       2.918186787     0.309066840     0.003744651
N       0.838794269    -1.014640479    -0.007470725
H      -3.162758784    -1.064742533    -0.009955176
H      -3.254557602     0.468877438    -0.885867398
H      -3.255560035     0.454802984     0.890039122
H      -1.168917548     2.241358260     0.017308965
H       3.265724624     1.360505663     0.012125304
H       3.352119758    -0.160775071    -0.892018401
H       3.351491397    -0.174785275     0.892321746
H       1.404516502    -1.859300312    -0.013858983
14
3H_4pyramidinone_2_0_3
C       0.143400002    -1.097166284    -0.029830348
O      -0.271139170    -2.227961297    -0.089580700
C      -0.598525485     0.156079219    -0.025380534
C      -2.075817714     0.063346553    -0.104950178
C       0.063326514     1.347874269     0.049361294
N       1.442248159     1.439388548     0.123443732
C       2.116428261     0.310498025     0.119609684
F       3.430943853     0.364841914     0.188968261
N       1.575749172    -0.955881559     0.048682062
H      -2.427723325    -0.982846899    -0.153624426
H      -2.470709044     0.567632423    -1.000310626
H      -2.563248582     0.516426063     0.771940822
H      -0.442829001     2.322629405     0.056546257
H       2.145474234    -1.801771263     0.049203807
16
3H_4pyramidinone_2_1_0
C      -0.904636356    -1.185300202     0.117335010
O      -1.089512879    -2.375078305     0.242856949
C       0.323900204    -0.450996022     0.051886369
C       1.588628209    -1.221361509     0.148250999
C       0.288061648     0.928968154    -0.096548687
N       1.399087749     1.723822904    -0.169922108
N      -0.914980811     1.641122911    -0.185832391
C      -2.047096641     0.976152816    -0.126710824
N      -2.110714700    -0.389836727     0.019000844
H       1.392350655    -2.303829172     0.260925903
H       2.186462903    -0.924368163     1.021257119
H       2.206970145    -1.112826405    -0.753742954
H       2.312778760     1.331732599    -0.118203701
H       1.304062747     2.713499637    -0.277289305
H      -2.991527999     1.543872635    -0.197696759
H      -2.998717150    -0.881543053     0.062057978
18
3H_4pyramidinone_2_1_1
C      -0.312385550     1.467722615    -0.001829923
O      -0.751895110     2.594784041     0.006295241
C      -0.985663115     0.209707161    -0.004154747
C      -2.470442188     0.228415602     0.006264639
C      -0.246380746    -0.969769979    -0.008390434
N      -0.805245029    -2.219585010     0.003050787
N       1.144999797    -0.989782395    -0.029046416
C       1.785847077     0.181832064    -0.001518094
N       3.170030607     0.163323566     0.089273965
N       1.141933218     1.404582942    -0.009167344
H      -2.858132606     1.263424496     0.011373708
H      -2.881208803    -0.259421679     0.901013195
H      -2.894011135    -0.255207168    -0.884593612
H      -1.793709942    -2.335839537    -0.022414212
H      -0.222820795    -3.031512875    -0.014974096
H       3.620882710    -0.736398245     0.026810287
H       3.702529550     0.943172108    -0.238015441
H       1.648296571     2.282684857     0.037559848
19
3H_4pyramidinone_2_1_2
C      -0.505307051     1.453380718     0.007109030
O      -0.951385807     2.579175272     0.012625538
C      -1.189047719     0.195968609     0.003234880
C      -2.672953113     0.220691330     0.005995797
C      -0.450571348    -0.980099608    -0.002901641
N      -1.002440902    -2.232672529    -0.006783359
N       0.947521869    -0.990061928    -0.005702930
C       1.592858005     0.160597556    -0.002317521
C       3.087027146     0.162633387    -0.005396869
N       0.940427538     1.375875525     0.003980307
H      -3.056499154     1.257742370     0.010949378
H      -3.090966842    -0.267302499     0.897386333
H      -3.094122644    -0.259947265    -0.887904879
H      -1.990292812    -2.355577463    -0.005475630
H      -0.414646687    -3.041092614    -0.011246073
H       3.484689713    -0.870040437    -0.010574185
H       3.497074722     0.657299515     0.888270231
H       3.493361243     0.664823732    -0.896561143
H       1.454202553     2.252206889     0.006580139
16
3H_4pyramidinone_2_1_3
C       0.168629634     1.491809306     0.002749186
O      -0.266574205     2.617221755     0.003866656
C      -0.508557729     0.231029706    -0.000499812
C      -1.993032965     0.261352448    -0.003236001
C       0.214184027    -0.956196457    -0.001080847
N      -0.342600902    -2.202379349    -0.003957799
N       1.617430295    -0.978538413     0.001283992
C       2.227184154     0.186536207     0.004160008
F       3.546064096     0.181921789     0.006334887
N       1.627824424     1.417183852     0.005138887
H      -2.377026282     1.298162448    -0.002077901
H      -2.417068931    -0.222750530     0.887777758
H      -2.413644524    -0.219498046    -0.897635300
H      -1.332108086    -2.320886169    -0.005818423
H       0.241107477    -3.016630064    -0.004217594
H       2.150385043     2.291834492     0.007446993
17
3H_4pyramidinone_2_2_0
C      -1.035558895    -1.295809744     0.159271028
O      -1.196525268    -2.486450700     0.307056887
C       0.211915780    -0.556248990     0.069577878
C       1.457748863    -1.356165276     0.171616434
C       0.187437855     0.803124326    -0.099709969
C       1.397923814     1.663947518    -0.204651855
N      -1.008767608     1.507202574    -0.189503956
C      -2.148882132     0.863831869    -0.111475222
N      -2.225881433    -0.506679577     0.058901485
H       1.247768136    -2.433076423     0.304486002
H       2.071464201    -1.049003001     1.031421597
H       2.075783103    -1.267692166    -0.734172719
H       2.335657099     1.099011777    -0.134594027
H       1.403814221     2.430817217     0.588976140
H       1.405034797     2.215937000    -1.160286802
H      -3.091385590     1.430993880    -0.183722340
H      -3.119746258    -0.986790637     0.116978374
19
3H_4pyramidinone_2_2_1
C      -0.237279832     1.618214860     0.024502078
O      -0.696620571     2.736433811     0.055288374
C      -0.914393429     0.343959215     0.020867505
C      -2.398155584     0.374258357     0.062182264
C      -0.190573997    -0.824138736    -0.015101626
C      -0.822768341    -2.174051123    -0.020683386
N       1.187117027    -0.840071273    -0.058856373
C       1.842052239     0.323737832    -0.035963081
N       3.226907275     0.302526649     0.026598768
N       1.203664048     1.555207988    -0.014702642
H      -2.788521291     1.406687705     0.084158526
H      -2.790397408    -0.131831514     0.956336226
H      -2.839342101    -0.112341157    -0.819865953
H      -1.482176879    -2.299907459    -0.892900390
H      -1.431289153    -2.329625406     0.883333810
H      -0.072508140    -2.982034475    -0.055270798
H       3.672938705    -0.598813510    -0.053154112
H       3.756085966     1.082904859    -0.304131390
H       1.717327330     2.429951192     0.026846969
20
3H_4pyramidinone_2_2_2
C      -0.423678365     1.598421977    -0.003025922
O      -0.892480732     2.714844650    -0.005168107
C      -1.117401090     0.324268545    -0.000577023
C      -2.600646947     0.382340381    -0.000809109
C      -0.396774174    -0.841441476     0.001740687
C      -0.996984700    -2.205053699     0.004457199
N       0.991555101    -0.846472731     0.001738759
C       1.652047492     0.292407267    -0.000513208
C       3.144828250     0.293493659    -0.000610282
N       1.006220246     1.519828708    -0.002873024
H      -2.971923470     1.423121325    -0.002756481
H      -3.028234685    -0.101108046     0.889801651
H      -3.028052597    -0.104374284    -0.889729032
H      -2.093876020    -2.191533859     0.004405880
H      -0.663797874    -2.777377307     0.886955937
H      -0.663759044    -2.780916238    -0.875720847
H       3.539133240    -0.740945111     0.001256479
H       3.555423179     0.791545810     0.890806166
H       3.555301930     0.788285422    -0.893896951
H       1.528799027     2.391426877    -0.004555075
17
3H_4pyramidinone_2_2_3
C       0.226361853     1.656042559    -0.002477830
O      -0.231716897     2.772277662    -0.004634932
C      -0.465238071     0.378757765    -0.000991612
C      -1.948356850     0.446330659    -0.002371944
C       0.238356506    -0.797496863     0.001505404
C      -0.369415256    -2.155073519     0.003240252
N       1.631182456    -0.818643149     0.002662666
C       2.258447031     0.333932425     0.001289241
F       3.576509099     0.328021961     0.002345777
N       1.667512211     1.577567520    -0.001186634
H      -2.317974466     1.487547162    -0.004277588
H      -2.380678070    -0.035247394     0.887531448
H      -2.379127772    -0.037959397    -0.891557941
H      -1.466569167    -2.136428753     0.002339193
H      -0.040957959    -2.732927645     0.885464366
H      -0.039561981    -2.735815679    -0.876561691
H       2.200160809     2.446739472    -0.002156251
14
3H_4pyramidinone_2_3_0
C      -0.639464423    -0.914203118     0.008865880
O      -0.798885040    -2.110201674     0.054028568
C       0.603185539    -0.161779938     0.037040949
C       1.872054401    -0.916762979     0.133790156
C       0.525086168     1.201753869    -0.027533492
F       1.601704153     1.959031641    -0.007952548
N      -0.646891169     1.929085945    -0.117898177
C      -1.779716851     1.260340757    -0.144188829
N      -1.834381783    -0.118537022    -0.085628243
H       1.703146667    -2.007963347     0.172405070
H       2.440249034    -0.653394470     1.040311077
H       2.529886468    -0.729896090    -0.730091351
H      -2.727272647     1.822302733    -0.215993993
H      -2.724086973    -0.613255134    -0.107677764
16
3H_4pyramidinone_2_3_1
C      -0.454014956     1.136737958     0.000150040
O      -0.908513806     2.254368381     0.000237512
C      -1.129347158    -0.137804485    -0.000076308
C      -2.611099999    -0.142202240    -0.000320748
C      -0.364503677    -1.276666602    -0.000072487
F      -0.915809342    -2.472670221    -0.000237140
N       1.004679742    -1.326657810     0.000034592
C       1.652302338    -0.148909970     0.000279386
N       3.023480949    -0.169671101     0.000754383
N       0.994781584     1.073450008     0.000291343
H      -3.025081880     0.881130533    -0.000290487
H      -3.020072252    -0.648747962     0.887451021
H      -3.019753792    -0.648566166    -0.888343392
H       3.496242623    -1.058287477     0.000392728
H       3.571916391     0.660298061    -0.000121974
H       1.498741126     1.955637849     0.000569821
17
3H_4pyramidinone_2_3_2
C      -0.656531839     1.142170450     0.001183334
O      -1.121980548     2.256694000     0.002257354
C      -1.347578940    -0.133103462     0.000046998
C      -2.827661786    -0.125679938     0.000097081
C      -0.585629467    -1.269018307    -0.001026642
F      -1.131309913    -2.467402807    -0.002066395
N       0.793057752    -1.306859278    -0.001172062
C       1.443162968    -0.156144172    -0.000188000
C       2.933689507    -0.146697430    -0.000359504
N       0.780299213     1.060268179     0.000993335
H      -3.235172692     0.901066151     0.001044554
H      -3.241535608    -0.630923327     0.887080231
H      -3.241575826    -0.629304542    -0.887788955
H       3.336045396    -1.179889716    -0.001329696
H       3.344051660     0.350502854     0.892456741
H       3.343819602     0.352085747    -0.892400991
H       1.297045989     1.937477284     0.001760382
14
3H_4pyramidinone_2_3_3
C       0.080296167     1.117528633     0.000264837
O      -0.375774829     2.231557501    -0.000221712
C      -0.607108496    -0.161433924    -0.000711895
C      -2.087482261    -0.145529032    -0.002715293
C       0.138528985    -1.308114511     0.000209467
F      -0.415164270    -2.500657746    -0.000533979
N       1.522340970    -1.359836697     0.001963902
C       2.138251586    -0.195352176     0.002776112
F       3.454558298    -0.190608804     0.004396198
N       1.527976416     1.037304466     0.002082155
H      -2.493650961     0.881672118    -0.003158354
H      -2.506816974    -0.648030544     0.883877275
H      -2.504375663    -0.647836673    -0.890570778
H       2.053974188     1.912846897     0.002797065
11
3H_4pyramidinone_3_0_0
C      -0.538274999    -1.097914905    -0.039546029
O      -0.983943182    -2.216552430    -0.077727661
C      -1.259376853     0.169486982    -0.020574078
F      -2.573881138     0.072781741    -0.049344760
C      -0.621573481     1.374072407     0.023843735
N       0.759112507     1.438343364     0.052935264
C       1.457433165     0.326025237     0.037475270
N       0.881056778    -0.934508251    -0.007105729
H      -1.129931203     2.346925045     0.039378198
H       2.558686808     0.385715083     0.060845013
H       1.453229295    -1.776157494    -0.017894126
13
3H_4pyramidinone_3_0_1
C      -1.094689888    -1.163701238     0.023260069
O      -1.529049949    -2.286368915     0.020501237
C      -1.796714315     0.102839391     0.054614414
F      -3.114635161     0.021577522     0.082897925
C      -1.148155469     1.307477837     0.051564454
N       0.219234196     1.383643906     0.025753497
C       0.921992599     0.242052311    -0.019640540
N       2.293512208     0.323890941    -0.130928202
N       0.337871807    -1.021605030    -0.007580955
H      -1.659129880     2.280819741     0.075519600
H       2.715971113     1.238011843    -0.085362959
H       2.879436113    -0.455839365     0.077579464
H       0.893427986    -1.870891482    -0.059070102
14
3H_4pyramidinone_3_0_2
C      -1.286295717    -1.189989825     0.046006651
O      -1.726298719    -2.311829565     0.058660688
C      -2.007260991     0.074167212     0.080283204
F      -3.321641510    -0.022305201     0.132083212
C      -1.368419971     1.279397021     0.060249100
N       0.008403515     1.349458320     0.005708356
C       0.717661402     0.237422577    -0.027557062
C       2.206223579     0.302923277    -0.086622147
N       0.132490592    -1.024300903    -0.009839935
H      -1.877425644     2.252029977     0.084890175
H       2.555948818     1.354208057    -0.096684105
H       2.605627547    -0.170172948    -0.997089947
H       2.676575144    -0.176680221     0.785768504
H       0.704155819    -1.865895841    -0.036352783
11
3H_4pyramidinone_3_0_3
C      -0.555121506    -1.102438444    -0.028272394
O      -0.995656067    -2.219523059    -0.055219383
C      -1.266585474     0.170708444    -0.013886416
F      -2.581613000     0.073351784    -0.033561107
C      -0.632618343     1.378521549     0.017514117
N       0.747860146     1.455310924     0.037550200
C       1.417157642     0.322063200     0.025120059
F       2.732531541     0.375391308     0.043743096
N       0.875966600    -0.948311175    -0.006111239
H      -1.143012255     2.352436903     0.029077979
H       1.451108610    -1.792036024    -0.014268084
13
3H_4pyramidinone_3_1_0
C      -0.452615390    -1.539919964     0.075670547
O      -0.608796431    -2.734244065     0.126481275
C       0.754812008    -0.771832650    -0.001969160
F       1.882459672    -1.462588138    -0.022310156
C       0.752016036     0.616096994    -0.053260089
N       1.861161226     1.404369223    -0.127203009
N      -0.460517581     1.317077658    -0.030170078
C      -1.586976817     0.643134417     0.040547258
N      -1.652482558    -0.730736661     0.094329095
H       2.778182251     1.012095299    -0.150045243
H       1.766245946     2.400912150    -0.160534973
H      -2.533127422     1.214155142     0.057617721
H      -2.542518924    -1.219374148     0.148657092
15
3H_4pyramidinone_3_1_1
C      -0.896190693     1.528828657     0.006310769
O      -1.354983360     2.643106561     0.010629794
C      -1.538851882     0.255384597     0.003132350
F      -2.862639768     0.272156704     0.005178517
C      -0.829302286    -0.943794250    -0.001832277
N      -1.398172125    -2.183876872    -0.004990976
N       0.559581646    -0.951623020    -0.003941640
C       1.198788289     0.226587432    -0.001066912
N       2.573356559     0.202446541    -0.003207487
N       0.556359251     1.454560920     0.003888540
H      -2.388590238    -2.300361994    -0.003930788
H      -0.819451930    -3.000205166    -0.008524009
H       3.045400158    -0.683738982    -0.006783523
H       3.121642118     1.032138437    -0.001317332
H       1.066660153     2.331573566     0.005974889
16
3H_4pyramidinone_3_1_2
C      -1.086206717     1.512631066     0.007885054
O      -1.550439352     2.625672979     0.012774913
C      -1.742329207     0.240219635     0.005683706
F      -3.064842963     0.265844898     0.009585267
C      -1.037557368    -0.956909488    -0.000192418
N      -1.598904458    -2.199526625    -0.002624863
N       0.360163801    -0.953484090    -0.004156006
C       1.003742779     0.198945316    -0.002260313
C       2.497320148     0.197765904    -0.006367026
N       0.357627053     1.419478852     0.003471261
H      -2.588682064    -2.323003218    -0.000144308
H      -1.014506203    -3.012317962    -0.006882498
H       2.894566507    -0.835463780    -0.011699092
H       2.910422022     0.691222942     0.886984123
H       2.905651595     0.698641022    -0.897764158
H       0.879564088     2.291946085     0.004790159
13
3H_4pyramidinone_3_1_3
C      -0.398526193     1.567541981    -0.000530317
O      -0.858753749     2.677873557    -0.000300373
C      -1.043383996     0.288981997     0.003498446
F      -2.366248297     0.315699763     0.008398528
C      -0.347751332    -0.915440646     0.002413733
N      -0.908962808    -2.154037861     0.005899039
N       1.054839663    -0.918299446    -0.002668156
C       1.657764268     0.251719929    -0.006341260
F       2.975974062     0.250508831    -0.011084827
N       1.058312773     1.484477749    -0.005770100
H      -1.900023821    -2.277045772     0.009667555
H      -0.325563235    -2.970447470     0.004767112
H       1.584918047     2.357831726    -0.008854195
14
3H_4pyramidinone_3_2_0
C      -0.648856929    -1.655477360     0.107672615
O      -0.782002653    -2.851811348     0.168742304
C       0.577726960    -0.881237896     0.010889496
F       1.684328278    -1.599790001    -0.012093576
C       0.590605012     0.486345910    -0.051843553
C       1.809499451     1.326899291    -0.151002912
N      -0.610605106     1.185641454    -0.023314601
C      -1.746198829     0.534495199     0.063279955
N      -1.829083386    -0.846496437     0.130192748
H       2.743074254     0.748000760    -0.174948180
H       1.874619169     2.028773281     0.699672907
H       1.783147587     1.954049370    -1.060125156
H      -2.688837645     1.107699449     0.084545069
H      -2.726471677    -1.321057877     0.196832680
16
3H_4pyramidinone_3_2_1
C      -0.771075159     1.704338584     0.035191124
O      -1.251123599     2.808310536     0.071097800
C      -1.414838441     0.412721283     0.032763312
F      -2.735432948     0.439091825     0.078815446
C      -0.720553259    -0.772648537    -0.009198724
C      -1.373926027    -2.107277457    -0.011636887
N       0.654261761    -0.776222856    -0.061097006
C       1.305274704     0.393796274    -0.043134871
N       2.685449564     0.371549775    -0.000725043
N       0.668184633     1.629134595    -0.014334454
H      -2.046286640    -2.224290282    -0.877139728
H      -1.979293873    -2.258843262     0.897055128
H      -0.637983075    -2.928533232    -0.055019871
H       3.139877182    -0.524916588    -0.079812165
H       3.220888450     1.169867163    -0.269418029
H       1.186705944     2.502172665     0.018094139
17
3H_4pyramidinone_3_2_2
C      -0.955152875     1.682657242     0.000059564
O      -1.443629229     2.784916729    -0.000084885
C      -1.619014666     0.391977396     0.001940685
F      -2.937991256     0.446076144     0.003747820
C      -0.933479839    -0.793601195     0.001853884
C      -1.557391812    -2.140937636     0.003723880
N       0.453819683    -0.788329669    -0.000075806
C       1.112281262     0.352770314    -0.001815555
C       2.604323364     0.351304321    -0.003825050
N       0.472849432     1.586138368    -0.001842264
H      -2.655800132    -2.116368171     0.004911007
H      -1.235253512    -2.722196200     0.885894450
H      -1.237195483    -2.723762871    -0.878121357
H       2.998683779    -0.683628525    -0.003972377
H       3.018580398     0.846766516     0.887797039
H       3.016224509     0.846141888    -0.896877322
H       1.004640982     2.453328442    -0.003213002
14
3H_4pyramidinone_3_2_3
C      -0.280642661     1.767316978    -0.001185466
O      -0.759897794     2.869290288    -0.001679867
C      -0.943920432     0.473884728     0.000431274
F      -2.262430054     0.539291582     0.001516279
C      -0.274616713    -0.721631484     0.000801097
C      -0.907371840    -2.062322454     0.002345848
N       1.116819479    -0.733186712    -0.000361410
C       1.742753533     0.421884019    -0.001818884
F       3.060002879     0.413394555    -0.002918554
N       1.157810508     1.671110192    -0.002337907
H      -2.006052336    -2.031149642     0.003266212
H      -0.590356457    -2.649136410     0.884234247
H      -0.591868359    -2.650427581    -0.879226836
H       1.699693863     2.535934458    -0.003509548
11
3H_4pyramidinone_3_3_0
C      -0.020738198    -1.239409039     0.001557962
O      -0.145950348    -2.435588266     0.003544144
C       1.198904227    -0.449359644    -0.004852268
F       2.333838345    -1.116926791    -0.009242556
C       1.145459201     0.917367992    -0.006141946
F       2.225440542     1.664321694    -0.011813627
N      -0.040579503     1.624683748    -0.001641936
C      -1.166482596     0.942651465     0.004151592
N      -1.215242753    -0.438868281     0.005956729
H      -2.120949979     1.499740753     0.007756725
H      -2.106392389    -0.933782476     0.010499738
13
3H_4pyramidinone_3_3_1
C      -1.165242233     1.115700175     0.002286319
O      -1.643341307     2.218552971     0.003532764
C      -1.806284904    -0.176626256     0.002627992
F      -3.125342464    -0.184550347     0.004617422
C      -1.065573285    -1.332371200     0.000961350
F      -1.630255836    -2.518659682     0.001233715
N       0.301492480    -1.364009310    -0.001119579
C       0.941409636    -0.179045359    -0.001475931
N       2.310652808    -0.195052651    -0.003368050
N       0.281657522     1.044579095     0.000074691
H       2.788123789    -1.082261928    -0.004625003
H       2.858074602     0.636435456    -0.004194574
H       0.788249586     1.926320131    -0.000212718
14
3H_4pyramidinone_3_3_2
C      -1.361133482     1.126921595     0.002937203
O      -1.848975240     2.226736027     0.004335948
C      -2.018897036    -0.165943006     0.003461062
F      -3.336099587    -0.160930469     0.005766108
C      -1.283674733    -1.319979602     0.001626989
F      -1.842709898    -2.508603905     0.002018899
N       0.093687544    -1.339819296    -0.000807835
C       0.736819816    -0.183884674    -0.001382209
C       2.226544281    -0.170364349    -0.003993390
N       0.074172976     1.034452542     0.000385362
H       2.633669702    -1.202230872    -0.005164068
H       2.638834946     0.327833057     0.887855535
H       2.635685961     0.328611213    -0.896853309
H       0.595213293     1.910405013    -0.000106709
11
3H_4pyramidinone_3_3_3
C      -0.616252685     1.091515790     0.000241968
O      -1.096845733     2.190398757     0.000440764
C      -1.270601613    -0.205268950     0.000398647
F      -2.587922834    -0.191169347     0.000821839
C      -0.550342628    -1.369061939     0.000129629
F      -1.117600190    -2.551930943     0.000277181
N       0.831923098    -1.402614724    -0.000324733
C       1.440526830    -0.232314403    -0.000486898
F       2.756069669    -0.223195490    -0.000927251
N       0.829213535     1.001863284    -0.000236312
H       1.358963127     1.876617809    -0.000371995
