64
l_tfpi_1.log
C         -0.41785        2.68856       -1.41565
C         -0.40926        3.29163       -2.67130
C          0.66933        4.09797       -3.01720
C          1.71428        4.30035       -2.12007
C          1.69043        3.69854       -0.86151
C          0.61659        2.88491       -0.50847
C          2.81626        3.95105        0.10831
O          2.91500        2.89864        1.09359
P          3.99176        1.68511        0.85465
C          1.30665        0.68224        3.04589
C          2.17702        0.18791        2.05901
C          1.80740       -0.78307        1.14613
C          0.45094       -1.24266        1.17060
C         -0.43034       -0.77463        2.19885
C          0.02881        0.19259        3.12500
C         -0.06956       -2.13774        0.20134
C         -1.35742       -2.61071        0.29575
C         -2.19795       -2.20730        1.35481
C         -1.74901       -1.28845        2.27114
C          2.79812       -1.28817        0.16703
C          3.47217       -0.38312       -0.63543
C          4.37873       -0.77944       -1.63529
C          4.63895       -2.11289       -1.81915
C          4.03978       -3.08669       -0.98389
C          3.12301       -2.67543        0.03778
C          4.35357       -4.46127       -1.12283
C          3.81436       -5.39658       -0.27381
C          2.94647       -4.98865        0.76132
C          2.60907       -3.66470        0.91417
O          3.48290        0.67610        2.06025
O          3.22486        0.97031       -0.46765
H         -1.23107        3.13076       -3.36184
H          0.69605        4.56789       -3.99601
H          2.55911        4.92385       -2.40334
H          0.59612        2.38678        0.45525
H          2.63337        4.87289        0.67311
H          3.76578        4.07506       -0.43088
H          1.67145        1.43590        3.73683
H         -0.65001        0.55057        3.89486
H          0.56026       -2.45614       -0.62287
H         -1.73265       -3.30026       -0.45587
H         -3.20617       -2.60580        1.42687
H         -2.39845       -0.93822        3.07032
H          4.85234       -0.01610       -2.24542
H          5.32904       -2.43637       -2.59425
H          5.04244       -4.75859       -1.90991
H          4.06605       -6.44748       -0.38559
H          2.54637       -5.72795        1.44982
H          1.94980       -3.36720        1.72291
C         -2.31921        2.07162        0.08395
C         -1.93614        0.74098       -1.79694
C         -3.35705        1.01271        0.03876
C         -3.13220        0.22224       -1.09081
C         -4.39727        0.73770        0.89731
C         -3.94152       -0.85442       -1.37246
C         -5.23149       -0.34453        0.60995
C         -5.00603       -1.13211       -0.51268
N         -1.51231        1.85332       -1.04767
O         -2.17543        2.95638        0.89747
O         -1.40550        0.31740       -2.79903
F         -4.63545        1.45479        1.99432
F         -6.24494       -0.63951        1.42057
F         -5.80560       -2.16784       -0.75522
F         -3.74698       -1.64562       -2.42604
64
l_tfpi_10.log
C         -0.46538        2.77459       -1.28496
C         -0.48745        3.36944       -2.54472
C          0.60665        4.12875       -2.94397
C          1.69685        4.29615       -2.09469
C          1.70363        3.70407       -0.83129
C          0.61600        2.93474       -0.42603
C          2.87617        3.92337        0.08997
O          2.97714        2.87586        1.08046
P          4.00748        1.62835        0.81219
C          1.35343        0.70151        3.07826
C          2.17944        0.18588        2.06437
C          1.75366       -0.76842        1.15831
C          0.38407       -1.18376        1.21812
C         -0.45227       -0.69488        2.27366
C          0.06370        0.25128        3.19170
C         -0.19234       -2.05408        0.25805
C         -1.49230       -2.48460        0.38483
C         -2.28887       -2.06268        1.47018
C         -1.78418       -1.16682        2.38031
C          2.70059       -1.30231        0.15165
C          3.38192       -0.41789       -0.66725
C          4.24721       -0.84120       -1.69226
C          4.45767       -2.18206       -1.88586
C          3.84909       -3.13787       -1.03678
C          2.97494       -2.69926        0.01059
C          4.11225       -4.52182       -1.18754
C          3.56509       -5.44116       -0.32629
C          2.74019       -5.00751        0.73330
C          2.45188       -3.67349        0.89837
O          3.49934        0.63335        2.03018
O          3.18329        0.94230       -0.49073
H         -1.34434        3.23885       -3.19766
H          0.60889        4.59086       -3.92686
H          2.55183        4.88489       -2.41897
H          0.61873        2.44534        0.54207
H          2.74805        4.85562        0.65285
H          3.80709        4.01031       -0.48745
H          1.76135        1.43936        3.76216
H         -0.58124        0.62567        3.98268
H          0.40331       -2.38692       -0.58566
H         -1.91094       -3.15551       -0.36072
H         -3.30728       -2.42848        1.56779
H         -2.39901       -0.80174        3.20001
H          4.72923       -0.09227       -2.31357
H          5.11513       -2.52613       -2.68025
H          4.76893       -4.83963       -1.99391
H          3.77780       -6.49961       -0.44736
H          2.33440       -5.73520        1.43078
H          1.82550       -3.35646        1.72565
C         -2.28865        2.22948        0.33219
C         -2.11812        0.92331       -1.59624
C         -3.38612        1.23305        0.34209
C         -3.28945        0.45701       -0.81521
C         -4.37586        1.00076        1.26952
C         -4.18201       -0.56244       -1.05699
C         -5.29303       -0.02283        1.02440
C         -5.19682       -0.79598       -0.12640
N         -1.57728        1.99260       -0.85872
O         -2.03782        3.08603        1.14985
O         -1.68581        0.49252       -2.64162
F         -4.48822        1.70472        2.39490
F         -6.26101       -0.27483        1.90218
F         -6.07489       -1.77530       -0.32920
F         -4.11554       -1.33758       -2.13823
64
l_tfpi_11.log
C         -0.47105        2.78885       -1.26527
C         -0.49801        3.38341       -2.52504
C          0.59690        4.13796       -2.93094
C          1.69286        4.30063       -2.08810
C          1.70463        3.70881       -0.82466
C          0.61597        2.94439       -0.41273
C          2.88382        3.92240        0.08938
O          2.98758        2.87254        1.07713
P          4.00862        1.61978        0.79818
C          1.36851        0.70366        3.08469
C          2.18338        0.18511        2.06336
C          1.74531       -0.76589        1.15967
C          0.37428       -1.17472        1.23063
C         -0.45069       -0.68294        2.29369
C          0.07753        0.25972        3.20833
C         -0.21439       -2.04159        0.27485
C         -1.51510       -2.46639        0.41264
C         -2.30040       -2.04171        1.50514
C         -1.78382       -1.14889        2.41152
C          2.68106       -1.30292        0.14425
C          3.35970       -0.42070       -0.67925
C          4.21352       -0.84681       -1.71269
C          4.41517       -2.18839       -1.91047
C          3.80921       -3.14244       -1.05752
C          2.94693       -2.70104       -0.00155
C          4.06360       -4.52751       -1.21303
C          3.51944       -5.44543       -0.34837
C          2.70664       -5.00924        0.71951
C          2.42688       -3.67401        0.88941
O          3.50532        0.62573        2.01881
O          3.16983        0.94024       -0.49892
H         -1.35935        3.25620       -3.17280
H          0.59535        4.59984       -3.91393
H          2.54855        4.88543       -2.41759
H          0.62207        2.45497        0.55536
H          2.76254        4.85383        0.65509
H          3.81127        4.00723       -0.49387
H          1.78587        1.43859        3.76601
H         -0.55890        0.63624        4.00517
H          0.37217       -2.37636       -0.57442
H         -1.94312       -3.13490       -0.32974
H         -3.31952       -2.40316        1.61132
H         -2.38972       -0.78161        3.23685
H          4.69390       -0.09932       -2.33698
H          5.06364       -2.53454       -2.71132
H          4.71121       -4.84738       -2.02590
H          3.72536       -6.50478       -0.47320
H          2.30342       -5.73598        1.41946
H          1.80977       -3.35501        1.72288
C         -2.28994        2.25475        0.36024
C         -2.13031        0.94128       -1.56415
C         -3.39029        1.26154        0.37773
C         -3.30010        0.48105       -0.77708
C         -4.37731        1.03551        1.30956
C         -4.19618       -0.53696       -1.01167
C         -5.29819        0.01355        1.07162
C         -5.20827       -0.76420       -0.07659
N         -1.58384        2.01164       -0.83241
O         -2.03330        3.11328        1.17402
O         -1.70298        0.50564       -2.60954
F         -4.48366        1.74421        2.43258
F         -6.26375       -0.23239        1.95383
F         -6.08968       -1.74193       -0.27253
F         -4.13555       -1.31638       -2.09017
64
l_tfpi_12.log
C         -0.41826        2.37725       -1.18364
C         -0.14843        2.91165       -2.44041
C          0.99510        3.68727       -2.61170
C          1.84449        3.93582       -1.54044
C          1.56938        3.39086       -0.28430
C          0.43525        2.60408       -0.10707
C          2.48993        3.63935        0.87430
O          3.86235        3.19535        0.62168
P          4.42442        1.67999        0.55810
C          1.72569        0.90399        3.07290
C          2.47851        0.41322        1.98720
C          1.98843       -0.55205        1.12361
C          0.61548       -0.94240        1.26285
C         -0.15553       -0.43733        2.35799
C          0.43987        0.47326        3.26405
C         -0.03092       -1.79012        0.32777
C         -1.34183       -2.16792        0.50256
C         -2.08317       -1.70842        1.61092
C         -1.50312       -0.84742        2.51047
C          2.85929       -1.14019        0.08255
C          3.52663       -0.30693       -0.79590
C          4.30987       -0.78886       -1.86069
C          4.45149       -2.14082       -2.03432
C          3.85838       -3.05041       -1.12501
C          3.06947       -2.55188       -0.03827
C          4.05787       -4.44692       -1.25533
C          3.53154       -5.32277       -0.33758
C          2.79371       -4.83073        0.75961
C          2.56739       -3.48244        0.90617
O          3.77851        0.88045        1.88012
O          3.41096        1.06719       -0.63702
H         -0.82641        2.73168       -3.26844
H          1.21206        4.11102       -3.58788
H          2.73255        4.54737       -1.67891
H          0.22445        2.15629        0.85987
H          2.11653        3.15807        1.78220
H          2.59398        4.71188        1.06530
H          2.18943        1.61833        3.74698
H         -0.14341        0.84113        4.10439
H          0.51554       -2.14026       -0.54154
H         -1.81420       -2.81853       -0.22887
H         -3.11647       -2.02002        1.73797
H         -2.07021       -0.46043        3.35398
H          4.78483       -0.07424       -2.52633
H          5.04385       -2.53016       -2.85838
H          4.64973       -4.80979       -2.09228
H          3.69525       -6.39148       -0.44361
H          2.40595       -5.52411        1.50089
H          2.00734       -3.12174        1.76251
C         -2.54630        1.83312        0.00717
C         -1.92782        0.47978       -1.79383
C         -3.58959        0.79668       -0.18144
C         -3.22228       -0.00883       -1.26149
C         -4.72994        0.53108        0.54195
C         -3.98742       -1.09248       -1.62745
C         -5.51706       -0.56110        0.17062
C         -5.14948       -1.36482       -0.90231
N         -1.58559        1.58491       -0.99145
O         -2.50253        2.72133        0.82843
O         -1.27368        0.04027       -2.71213
F         -5.10287        1.26130        1.59163
F         -6.62455       -0.84677        0.85098
F         -5.91185       -2.40469       -1.23135
F         -3.66051       -1.89645       -2.63763
64
l_tfpi_13.log
C         -0.43250        2.40554       -1.15562
C         -0.17267        2.94281       -2.41322
C          0.97381        3.71191       -2.59396
C          1.83605        3.95113       -1.53089
C          1.57072        3.40356       -0.27376
C          0.43357        2.62326       -0.08725
C          2.50525        3.64218        0.87568
O          3.87145        3.18836        0.60751
P          4.42105        1.66867        0.53781
C          1.74027        0.91094        3.07839
C          2.47938        0.41576        1.98526
C          1.97467       -0.54583        1.12601
C          0.60053       -0.92708        1.27818
C         -0.15654       -0.41760        2.38090
C          0.45353        0.48854        3.28166
C         -0.06014       -1.77031        0.34905
C         -1.37180       -2.13953        0.53604
C         -2.09957       -1.67553        1.65149
C         -1.50530       -0.81889        2.54597
C          2.83160       -1.13968        0.07671
C          3.49626       -0.31091       -0.80797
C          4.26660       -0.79782       -1.87985
C          4.39794       -2.15068       -2.05457
C          3.80724       -3.05637       -1.13979
C          3.03138       -2.55275       -0.04603
C          3.99670       -4.45411       -1.27172
C          3.47313       -5.32656       -0.34917
C          2.74822       -4.82978        0.75447
C          2.53180       -3.48007        0.90291
O          3.78143        0.87426        1.86596
O          3.39139        1.06405       -0.64773
H         -0.86059        2.77001       -3.23460
H          1.18309        4.13776       -3.57091
H          2.72648        4.55751       -1.67659
H          0.23025        2.17330        0.88031
H          2.13790        3.16155        1.78638
H          2.61935        4.71342        1.06815
H          2.21525        1.62179        3.74833
H         -0.11925        0.85950        4.12787
H          0.47619       -2.12384       -0.52518
H         -1.85517       -2.78696       -0.19103
H         -3.13374       -1.98014        1.78821
H         -2.06182       -0.42886        3.39510
H          4.74014       -0.08626       -2.54978
H          4.98040       -2.54386       -2.88386
H          4.57873       -4.82076       -2.11391
H          3.62915       -6.39630       -0.45651
H          2.36262       -5.52065        1.49923
H          1.98164       -3.11579        1.76413
C         -2.55411        1.87138        0.05153
C         -1.95591        0.51608       -1.75486
C         -3.60358        0.83974       -0.12937
C         -3.24824        0.03311       -1.21263
C         -4.74100        0.58037        0.60085
C         -4.02240       -1.04527       -1.57504
C         -5.53711       -0.50668        0.23342
C         -5.18145       -1.31134       -0.84279
N         -1.60231        1.61909       -0.95451
O         -2.49987        2.75933        0.87249
O         -1.31093        0.07417       -2.67848
F         -5.10323        1.31193        1.65336
F         -6.64196       -0.78648        0.92045
F         -5.95227       -2.34613       -1.16805
F         -3.70704       -1.84983       -2.58841
64
l_tfpi_14.log
C         -0.68136        3.24979       -0.91775
C         -1.10058        4.51147       -1.33193
C         -0.14718        5.50932       -1.50096
C          1.19898        5.24473       -1.26638
C          1.60922        3.97356       -0.86099
C          0.65911        2.97045       -0.67919
C          3.07122        3.69491       -0.64121
O          3.22159        2.71527        0.41223
P          4.16068        1.39185        0.19346
C          1.73536        0.95894        2.80864
C          2.43297        0.23936        1.82344
C          1.87636       -0.81648        1.12542
C          0.50709       -1.14624        1.38526
C         -0.20657       -0.42775        2.39948
C          0.43913        0.62055        3.09840
C         -0.19053       -2.14441        0.65792
C         -1.49112       -2.46507        0.96779
C         -2.17388       -1.79280        2.00357
C         -1.54750       -0.78219        2.69041
C          2.68559       -1.52576        0.10676
C          3.27918       -0.78929       -0.90472
C          4.00385       -1.38322       -1.95348
C          4.16213       -2.74510       -1.97680
C          3.64486       -3.54953       -0.93280
C          2.91345       -2.93693        0.13643
C          3.86246       -4.94933       -0.91167
C          3.40915       -5.71711        0.13302
C          2.72760       -5.10915        1.20883
C          2.48509       -3.75596        1.21180
O          3.75985        0.59730        1.58698
O          3.14200        0.59193       -0.89458
H         -2.15264        4.70503       -1.51672
H         -0.45791        6.50167       -1.81413
H          1.93667        6.03360       -1.39253
H          0.95687        1.98263       -0.34346
H          3.59341        4.60860       -0.33679
H          3.53212        3.33867       -1.57390
H          2.24164        1.76856        3.32496
H         -0.11120        1.16173        3.86386
H          0.31074       -2.66345       -0.15211
H         -2.00174       -3.23995        0.40158
H         -3.19910       -2.06381        2.24088
H         -2.06984       -0.23584        3.47236
H          4.42281       -0.74710       -2.72747
H          4.71117       -3.22048       -2.78557
H          4.40956       -5.40136       -1.73551
H          3.58689       -6.78880        0.14252
H          2.39740       -5.71597        2.04755
H          1.96968       -3.30313        2.05269
C         -2.74393        2.30679        0.13118
C         -1.61545        0.99194       -1.43522
C         -3.49038        1.03630       -0.04042
C         -2.81806        0.25278       -0.98198
C         -4.64018        0.58233        0.56489
C         -3.28486       -0.99543       -1.32424
C         -5.12506       -0.67964        0.21461
C         -4.45563       -1.45910       -0.72063
N         -1.64438        2.21471       -0.73947
O         -2.99310        3.23946        0.86156
O         -0.77394        0.65266       -2.23619
F         -5.30379        1.29249        1.47559
F         -6.23146       -1.15095        0.78441
F         -4.92689       -2.66669       -1.02154
F         -2.66251       -1.78237       -2.19961
64
l_tfpi_15.log
C         -0.67707        3.22246       -0.94675
C         -1.10233        4.47910       -1.36990
C         -0.15554        5.48453       -1.53164
C          1.19016        5.23212       -1.28184
C          1.60666        3.96575       -0.86772
C          0.66310        2.95546       -0.69232
C          3.06885        3.70037       -0.63280
O          3.21821        2.71888        0.41893
P          4.16766        1.40224        0.20319
C          1.73758        0.95644        2.80995
C          2.44173        0.23982        1.82728
C          1.89256       -0.81871        1.12749
C          0.52372       -1.15440        1.38233
C         -0.19702       -0.43807        2.39309
C          0.44162        0.61284        3.09459
C         -0.16680       -2.15612        0.65321
C         -1.46747       -2.48150        0.95778
C         -2.15785       -1.81008        1.98904
C         -1.53812       -0.79672        2.67791
C          2.70862       -1.52427        0.11171
C          3.30238       -0.78513       -0.89780
C          4.03308       -1.37592       -1.94416
C          4.19745       -2.73704       -1.96709
C          3.68041       -3.54379       -0.92476
C          2.94287       -2.93441        0.14208
C          3.90410       -4.94261       -0.90296
C          3.45087       -5.71242        0.14026
C          2.76324       -5.10748        1.21390
C          2.51475       -3.75536        1.21610
O          3.76755        0.60439        1.59472
O          3.15885        0.59533       -0.88879
H         -2.15376        4.66320       -1.56740
H         -0.47125        6.47312       -1.85162
H          1.92250        6.02673       -1.40306
H          0.96560        1.97135       -0.35012
H          3.57880        4.61809       -0.31989
H          3.54329        3.35195       -1.56168
H          2.23857        1.76824        3.32797
H         -0.11408        1.15186        3.85768
H          0.33997       -2.67419       -0.15400
H         -1.97235       -3.25935        0.39049
H         -3.18336       -2.08422        2.22146
H         -2.06596       -0.25141        3.45687
H          4.45163       -0.73785       -2.71676
H          4.75118       -3.20993       -2.77412
H          4.45578       -5.39214       -1.72511
H          3.63331       -6.78331        0.15031
H          2.43302       -5.71572        2.05158
H          1.99463       -3.30494        2.05538
C         -2.74809        2.26632        0.07422
C         -1.58053        0.95229       -1.46395
C         -3.47944        0.98762       -0.10179
C         -2.78323        0.20444       -1.02601
C         -4.63609        0.52705        0.48518
C         -3.23230       -1.05013       -1.36852
C         -5.10314       -0.74161        0.13440
C         -4.40962       -1.52084       -0.78334
N         -1.63289        2.17935       -0.77698
O         -3.01828        3.20084        0.79469
O         -0.72307        0.61617       -2.24915
F         -5.32343        1.23760        1.37776
F         -6.21585       -1.21897        0.68663
F         -4.86415       -2.73453       -1.08545
F         -2.58627       -1.83684       -2.22678
64
l_tfpi_16.log
C         -0.67031        3.17949       -0.76154
C         -1.14047        4.48586       -0.89206
C         -0.21935        5.52182       -0.98403
C          1.14817        5.25523       -0.95609
C          1.60774        3.94449       -0.83558
C          0.68902        2.89994       -0.72874
C          3.08168        3.64880       -0.82540
O          3.36647        2.73796        0.26814
P          4.24081        1.37389        0.03405
C          1.95683        1.12956        2.79278
C          2.55390        0.35208        1.78571
C          1.89861       -0.68193        1.14299
C          0.52850       -0.92326        1.48392
C         -0.08081       -0.15008        2.52520
C          0.66277        0.87189        3.16354
C         -0.26649       -1.89030        0.81729
C         -1.56230       -2.13220        1.20941
C         -2.14133       -1.40698        2.27175
C         -1.41942       -0.42239        2.90117
C          2.60813       -1.46405        0.10346
C          3.19106       -0.79335       -0.95861
C          3.81733       -1.45917       -2.02746
C          3.88666       -2.82861       -2.02084
C          3.37698       -3.57147       -0.92863
C          2.74754       -2.88597        0.16098
C          3.50349       -4.98179       -0.88049
C          3.05974       -5.69226        0.20792
C          2.48122       -5.01435        1.30217
C          2.32766       -3.64840        1.28048
O          3.88315        0.62733        1.46600
O          3.13768        0.59293       -0.98480
H         -2.20743        4.68284       -0.92432
H         -0.57034        6.54528       -1.07777
H          1.86208        6.07226       -1.02411
H          1.03249        1.87690       -0.61217
H          3.66036        4.56453       -0.66740
H          3.38936        3.20880       -1.78385
H          2.53788        1.91837        3.25998
H          0.18906        1.45698        3.94761
H          0.15747       -2.45007       -0.00980
H         -2.14848       -2.88583        0.69012
H         -3.16342       -1.61592        2.57617
H         -1.86331        0.16578        3.70099
H          4.23210       -0.87098       -2.84062
H          4.35782       -3.35905       -2.84432
H          3.97302       -5.48915       -1.71983
H          3.16705       -6.77291        0.23741
H          2.16014       -5.57744        2.17429
H          1.89119       -3.14155        2.13502
C         -2.64126        2.02622        0.25857
C         -1.60918        1.01540       -1.57666
C         -3.39063        0.79275       -0.08131
C         -2.77136        0.18625       -1.17675
C         -4.48280        0.21321        0.52236
C         -3.24426       -1.00090       -1.68800
C         -4.97378       -0.98694        0.00456
C         -4.36181       -1.58694       -1.08959
N         -1.59909        2.10256       -0.68257
O         -2.84666        2.81586        1.15295
O         -0.82284        0.83218       -2.47835
F         -5.08080        0.74302        1.58809
F         -6.02599       -1.57499        0.56887
F         -4.84044       -2.73807       -1.55540
F         -2.67086       -1.62022       -2.71841
64
l_tfpi_17.log
C         -0.44912        2.43850       -1.12079
C         -0.20099        2.97756       -2.37997
C          0.94853        3.73910       -2.57270
C          1.82563        3.96875       -1.51974
C          1.57203        3.41931       -0.26102
C          0.43151        2.64692       -0.06255
C          2.52355        3.64685        0.87660
O          3.88138        3.17895        0.59009
P          4.41455        1.65391        0.51386
C          1.75379        0.91941        3.08318
C          2.47726        0.41826        1.98231
C          1.95545       -0.53903        1.12849
C          0.58003       -0.90914        1.29529
C         -0.16099       -0.39387        2.40617
C          0.46590        0.50741        3.30023
C         -0.09709       -1.74705        0.37324
C         -1.40934       -2.10645        0.57455
C         -2.12126       -1.63716        1.69800
C         -1.51089       -0.78498        2.58589
C          2.79608       -1.13979        0.06993
C          3.45773       -0.31617       -0.82179
C          4.21322       -0.80902       -1.90147
C          4.33250       -2.16284       -2.07723
C          3.74437       -3.06392       -1.15627
C          2.98361       -2.55436       -0.05468
C          3.92208       -4.46304       -1.28980
C          3.40156       -5.33142       -0.36171
C          2.69164       -4.82909        0.74913
C          2.48681       -3.47778        0.89947
O          3.78172        0.86580        1.84923
O          3.36543        1.05963       -0.66011
H         -0.90030        2.81194       -3.19320
H          1.14874        4.16644       -3.55090
H          2.71852        4.56917       -1.67478
H          0.23683        2.19560        0.90613
H          2.16344        3.16904        1.79164
H          2.65153        4.71660        1.06859
H          2.24149        1.62644        3.74801
H         -0.09482        0.88276        4.15253
H          0.42722       -2.10427       -0.50675
H         -1.90544       -2.75015       -0.14722
H         -3.15606       -1.93414        1.84623
H         -2.05525       -0.39092        3.44100
H          4.68535       -0.10120       -2.57634
H          4.90351       -2.56051       -2.91231
H          4.49272       -4.83414       -2.13780
H          3.54856       -6.40229       -0.47041
H          2.30851       -5.51693        1.49795
H          1.94819       -3.10939        1.76621
C         -2.56217        1.91775        0.10721
C         -1.99113        0.56027       -1.70632
C         -3.62094        0.89392       -0.06483
C         -3.28163        0.08606       -1.15228
C         -4.75304        0.64123        0.67602
C         -4.06625       -0.98682       -1.50834
C         -5.55982       -0.44014        0.31509
C         -5.21997       -1.24599       -0.76534
N         -1.62166        1.65927       -0.90780
O         -2.49363        2.80442        0.92847
O         -1.35851        0.11497       -2.63683
F         -5.10065        1.37420        1.73248
F         -6.65996       -0.71343        1.01223
F         -6.00070       -2.27530       -1.08421
F         -3.76562       -1.79246       -2.52532
64
l_tfpi_18.log
C         -0.77976        3.28003       -0.60921
C         -1.23093        4.59084       -0.76029
C         -0.29731        5.61779       -0.81951
C          1.06492        5.33742       -0.73844
C          1.50654        4.02225       -0.59905
C          0.57510        2.98577       -0.52596
C          2.97675        3.71637       -0.53771
O          3.20883        2.77159        0.53873
P          4.17400        1.46761        0.32169
C          1.67877        0.94555        2.85551
C          2.40943        0.26090        1.86920
C          1.87965       -0.77451        1.12188
C          0.50317       -1.11253        1.32357
C         -0.24376       -0.43232        2.33997
C          0.37600        0.59279        3.09473
C         -0.16955       -2.07743        0.53148
C         -1.48151       -2.40578        0.78074
C         -2.19697       -1.77629        1.82104
C         -1.59368       -0.79593        2.57024
C          2.72475       -1.45648        0.11379
C          3.35025       -0.69484       -0.85866
C          4.11569       -1.26152       -1.89347
C          4.28181       -2.62182       -1.94156
C          3.72959       -3.45228       -0.93652
C          2.95598       -2.86738        0.11842
C          3.95239       -4.85140       -0.93974
C          3.46279       -5.64514        0.06860
C          2.73726       -5.06508        1.13097
C          2.48915       -3.71308        1.15647
O          3.74017        0.63229        1.68212
O          3.20355        0.68474       -0.82247
H         -2.29398        4.79817       -0.83242
H         -0.63454        6.64439       -0.92816
H          1.78951        6.14682       -0.77937
H          0.90418        1.95926       -0.39354
H          3.55393        4.62421       -0.33351
H          3.31739        3.29929       -1.49516
H          2.16532        1.74057        3.41195
H         -0.20039        1.10568        3.86050
H          0.36070       -2.56032       -0.28237
H         -1.97467       -3.15234        0.16343
H         -3.23110       -2.05097        2.01040
H         -2.14350       -0.27971        3.35394
H          4.55953       -0.60609       -2.63688
H          4.86318       -3.07614       -2.73980
H          4.53256       -5.28202       -1.75238
H          3.64485       -6.71611        0.05994
H          2.37698       -5.69277        1.94147
H          1.93919       -3.28249        1.98707
C         -1.72200        1.12127       -1.43926
C         -2.80093        2.16478        0.35028
C         -2.90790        0.31207       -1.06972
C         -3.55453        0.93668       -0.00040
C         -3.37472       -0.87811       -1.57875
C         -4.67894        0.38191        0.56705
C         -4.52271       -1.44076       -1.01650
C         -5.16690       -0.81823        0.04582
N         -1.72607        2.21680       -0.55538
O         -0.90878        0.91851       -2.31246
O         -3.02531        2.96553        1.23003
F         -2.77010       -1.52032       -2.57656
F         -4.99737       -2.59284       -1.48396
F         -6.24883       -1.38362        0.57560
F         -5.31299        0.93659        1.59907
64
l_tfpi_19.log
C         -0.67532        3.19293       -0.97829
C         -1.10694        4.44334       -1.41331
C         -0.16689        5.45542       -1.57323
C          1.17858        5.21554       -1.31055
C          1.60168        3.95518       -0.88477
C          0.66484        2.93854       -0.71050
C          3.06428        3.70362       -0.63716
O          3.21528        2.72262        0.41461
P          4.17415        1.41238        0.20184
C          1.74561        0.95870        2.80677
C          2.45441        0.24297        1.82679
C          1.91126       -0.81988        1.12887
C          0.54360       -1.16128        1.38253
C         -0.18231       -0.44484        2.38955
C          0.45059        0.61037        3.08978
C         -0.14098       -2.16859        0.65555
C         -1.44105       -2.49816        0.95815
C         -2.13715       -1.82513        1.98448
C         -1.52293       -0.80732        2.67175
C          2.73201       -1.52341        0.11536
C          3.32286       -0.78325       -0.89513
C          4.05733       -1.37244       -1.93976
C          4.22847       -2.73278       -1.95992
C          3.71467       -3.54005       -0.91643
C          2.97334       -2.93225        0.14871
C          3.94511       -4.93773       -0.89185
C          3.49479       -5.70777        0.15245
C          2.80343       -5.10417        1.22445
C          2.54840       -3.75328        1.22395
O          3.77855        0.61391        1.59449
O          3.17200        0.59638       -0.88943
H         -2.15798        4.61769       -1.62139
H         -0.48782        6.43934       -1.90230
H          1.90559        6.01516       -1.43103
H          0.97252        1.95925       -0.35935
H          3.56248        4.62595       -0.31890
H          3.55027        3.36130       -1.56240
H          2.24225        1.77387        3.32369
H         -0.10894        1.14896        3.85036
H          0.36990       -2.68745       -0.14854
H         -1.94109       -3.28056        0.39282
H         -3.16245       -2.10195        2.21466
H         -2.05491       -0.26132        3.44739
H          4.47321       -0.73381       -2.71335
H          4.78510       -3.20446       -2.76567
H          4.49954       -5.38617       -1.71276
H          3.68237       -6.77775        0.16461
H          2.47550       -5.71249        2.06297
H          2.02544       -3.30374        2.06193
C         -2.75244        2.22821        0.02299
C         -1.55106        0.90974       -1.48505
C         -3.46965        0.94121       -0.15076
C         -2.75289        0.15523       -1.05656
C         -4.63098        0.47617        0.42332
C         -3.18535       -1.10682       -1.39282
C         -5.08124       -0.80031        0.07876
C         -4.36697       -1.58245       -0.82045
N         -1.62386        2.14292       -0.81082
O         -3.04153        3.16712        0.73027
O         -0.68044        0.57383       -2.25571
F         -5.33910        1.19034        1.29653
F         -6.19813       -1.28181        0.61886
F         -4.80574       -2.80329       -1.11699
F         -2.51875       -1.89622       -2.23263
64
l_tfpi_2.log
C         -0.44813        2.72078       -1.38246
C         -0.45621        3.33322       -2.63377
C          0.62692        4.12631       -2.99599
C          1.69203        4.30926       -2.11877
C          1.68463        3.69917       -0.86385
C          0.60824        2.89625       -0.49562
C          2.82958        3.93685        0.08721
O          2.92245        2.89125        1.08005
P          3.99111        1.66951        0.84728
C          1.29742        0.68150        3.04041
C          2.16628        0.18431        2.05354
C          1.79310       -0.78530        1.14067
C          0.43420       -1.23744        1.16265
C         -0.44583       -0.76633        2.19050
C          0.01758        0.19691        3.11875
C         -0.08983       -2.12686        0.19022
C         -1.38140       -2.59072        0.27994
C         -2.22110       -2.18500        1.33865
C         -1.76757       -1.27249        2.25917
C          2.78292       -1.29754        0.16450
C          3.46324       -0.39799       -0.63858
C          4.37139       -0.80122       -1.63418
C          4.62653       -2.13639       -1.81285
C          4.02009       -3.10506       -0.97685
C          3.10132       -2.68670        0.04015
C          4.32854       -4.48139       -1.11025
C          3.78199       -5.41174       -0.26046
C          2.91155       -4.99694        0.76978
C          2.57929       -3.67109        0.91727
O          3.47400        0.66735        2.05536
O          3.22136        0.95701       -0.47454
H         -1.29371        3.19024       -3.30892
H          0.64022        4.60260       -3.97199
H          2.53862        4.92469       -2.41424
H          0.60089        2.39325        0.46540
H          2.67242        4.86736        0.64565
H          3.77324        4.03856       -0.46677
H          1.66488        1.43328        3.73201
H         -0.66014        0.55730        3.88847
H          0.54023       -2.44760       -0.63293
H         -1.75985       -3.27538       -0.47452
H         -3.23227       -2.57653        1.40723
H         -2.41631       -0.92043        3.05817
H          4.85056       -0.04188       -2.24496
H          5.31815       -2.46522       -2.58433
H          5.01929       -4.78411       -1.89359
H          4.02975       -6.46403       -0.36786
H          2.50541       -5.73241        1.45883
H          1.91806       -3.36841        1.72246
C         -2.29289        2.09774        0.18301
C         -2.03998        0.83049       -1.76235
C         -3.36043        1.06945        0.15087
C         -3.21426        0.31698       -1.01683
C         -4.36276        0.78980        1.05164
C         -4.06933       -0.72450       -1.29684
C         -5.24218       -0.25668        0.76763
C         -5.09688       -1.00560       -0.39398
N         -1.54774        1.90200       -0.99493
O         -2.08644        2.94718        1.02030
O         -1.57094        0.42969       -2.80386
F         -4.52109        1.46750        2.18751
F         -6.22071       -0.55530        1.61870
F         -5.93963       -2.00716       -0.63380
F         -3.95533       -1.47730       -2.38977
64
l_tfpi_20.log
C         -0.66991        3.17973       -0.99425
C         -1.10245        4.42722       -1.43656
C         -0.16509        5.44287       -1.59004
C          1.17886        5.20919       -1.31451
C          1.60307        3.95155       -0.88165
C          0.66880        2.93168       -0.71311
C          3.06474        3.70684       -0.62141
O          3.21231        2.72219        0.42732
P          4.17576        1.41534        0.21420
C          1.74276        0.95280        2.81160
C          2.45550        0.23909        1.83296
C          1.91606       -0.82382        1.13231
C          0.54817       -1.16765        1.38168
C         -0.18210       -0.45249        2.38648
C          0.44723        0.60271        3.08996
C         -0.13276       -2.17557        0.65215
C         -1.43368       -2.50633        0.94976
C         -2.13468       -1.83347        1.97284
C         -1.52368       -0.81569        2.66305
C          2.74044       -1.52416        0.11951
C          3.33217       -0.78098       -0.88835
C          4.06965       -1.36708       -1.93262
C          4.24302       -2.72709       -1.95510
C          3.72845       -3.53722       -0.91423
C          2.98401       -2.93262        0.15058
C          3.96097       -4.93459       -0.89190
C          3.50970       -5.70733        0.15000
C          2.81522       -5.10688        1.22176
C          2.55812       -3.75638        1.22336
O          3.77941        0.61285        1.60423
O          3.17883        0.59830       -0.88076
H         -2.15209        4.59681       -1.65535
H         -0.48704        6.42464       -1.92449
H          1.90370        6.01144       -1.43053
H          0.97748        1.95464       -0.35673
H          3.55473        4.63060       -0.29461
H          3.56129        3.37167       -1.54369
H          2.23674        1.76812        3.33082
H         -0.11557        1.14009        3.84897
H          0.38161       -2.69406       -0.14996
H         -1.93068       -3.28937        0.38263
H         -3.16087       -2.11072        2.19856
H         -2.05904       -0.27027        3.43676
H          4.48597       -0.72629       -2.70419
H          4.80196       -3.19628       -2.76071
H          4.51773       -5.38061       -1.71256
H          3.69887       -6.77706        0.16047
H          2.48649       -5.71736        2.05839
H          2.03268       -3.30921        2.06107
C         -2.75545        2.20921       -0.01574
C         -1.52804        0.89022       -1.50220
C         -3.46432        0.91809       -0.19365
C         -2.73162        0.13168       -1.08612
C         -4.63174        0.45035        0.36567
C         -3.15362       -1.13366       -1.42320
C         -5.07138       -0.82965        0.02021
C         -4.34113       -1.61222       -0.86569
N         -1.61541        2.12590       -0.83412
O         -3.05845        3.14954        0.68378
O         -0.64642        0.55541       -2.26072
F         -5.35609        1.16555        1.22463
F         -6.19381       -1.31366        0.54645
F         -4.77034       -2.83611       -1.16385
F         -2.47134       -1.92345       -2.24993
64
l_tfpi_21.log
C         -0.70185        3.18613       -0.90914
C         -1.15287        4.44203       -1.30812
C         -0.23491        5.48217       -1.40241
C          1.10906        5.26500       -1.11261
C          1.55197        3.99961       -0.72405
C          0.63660        2.95479       -0.61360
C          3.01338        3.77065       -0.44911
O          3.15851        2.76884        0.58416
P          4.14994        1.48392        0.36716
C          1.64497        0.90836        2.87258
C          2.40147        0.23406        1.89885
C          1.90529       -0.81981        1.15395
C          0.53756       -1.19644        1.35168
C         -0.23693       -0.52247        2.35173
C          0.34877        0.52610        3.10132
C         -0.10010       -2.19738        0.57506
C         -1.40221       -2.56201        0.82396
C         -2.14704       -1.93088        1.84267
C         -1.57843       -0.91966        2.57739
C          2.77357       -1.47636        0.14865
C          3.38028       -0.69500       -0.82082
C          4.15867       -1.23865       -1.85834
C          4.35866       -2.59415       -1.91220
C          3.83018       -3.44179       -0.90885
C          3.04377       -2.88039        0.14928
C          4.08911       -4.83467       -0.91709
C          3.62328       -5.64387        0.09020
C          2.88671       -5.08577        1.15678
C          2.60333       -3.74089        1.18673
O          3.72461        0.63778        1.72235
O          3.20115        0.68058       -0.78011
H         -2.20168        4.59897       -1.53985
H         -0.57197        6.47004       -1.70226
H          1.81883        6.08576       -1.18311
H          0.96030        1.97084       -0.29129
H          3.48729        4.69441       -0.09977
H          3.52549        3.45687       -1.37037
H          2.10687        1.71915        3.42719
H         -0.24840        1.03159        3.85597
H          0.44953       -2.68218       -0.22460
H         -1.86592       -3.33915        0.22157
H         -3.17349       -2.23455        2.03001
H         -2.14836       -0.40613        3.34825
H          4.58484       -0.56932       -2.59969
H          4.94963       -3.03058       -2.71340
H          4.67780       -5.24760       -1.73280
H          3.83281       -6.70976        0.07761
H          2.54579       -5.72487        1.96672
H          2.04478       -3.32691        2.02010
C         -1.49150        0.89703       -1.51977
C         -2.79328        2.13732       -0.02871
C         -2.69093        0.09994       -1.16908
C         -3.46810        0.83926       -0.27386
C         -3.07576       -1.16034       -1.56460
C         -4.64359        0.32928        0.22860
C         -4.27196       -1.68078       -1.06641
C         -5.04641       -0.94487       -0.17808
N         -1.62630        2.10652       -0.81230
O         -0.58034        0.60805       -2.26201
O         -3.13882        3.04613        0.69240
F         -2.34964       -1.90728       -2.39385
F         -4.66753       -2.89990       -1.42438
F         -6.17604       -1.46774        0.29268
F         -5.41002        0.99787        1.08869
64
l_tfpi_22.log
C         -0.66843        3.16287       -1.00873
C         -1.10560        4.40764       -1.45421
C         -0.17234        5.42706       -1.60776
C          1.17214        5.19969       -1.32927
C          1.60097        3.94471       -0.89334
C          0.67080        2.92120       -0.72455
C          3.06329        3.70655       -0.63048
O          3.21319        2.72580        0.42154
P          4.18252        1.42233        0.21452
C          1.74554        0.95724        2.80800
C          2.46299        0.24386        1.83259
C          1.92909       -0.82283        1.13345
C          0.56184       -1.17097        1.38062
C         -0.17323       -0.45605        2.38206
C          0.45068        0.60314        3.08436
C         -0.11363       -2.18328        0.65213
C         -1.41406       -2.51799        0.94754
C         -2.11996       -1.84492        1.96713
C         -1.51420       -0.82328        2.65626
C          2.75827       -1.52294        0.12448
C          3.34979       -0.78061       -0.88410
C          4.09167       -1.36703       -1.92510
C          4.26978       -2.72647       -1.94338
C          3.75573       -3.53545       -0.90131
C          3.00681       -2.93053        0.16011
C          3.99322       -4.93190       -0.87453
C          3.54245       -5.70338        0.16853
C          2.84346       -5.10238        1.23704
C          2.58150       -3.75280        1.23424
O          3.78599        0.62219        1.60592
O          3.19172        0.59809       -0.88069
H         -2.15548        4.57231       -1.67551
H         -0.49791        6.40675       -1.94484
H          1.89372        6.00485       -1.44547
H          0.98289        1.94607       -0.36592
H          3.54945        4.63309       -0.30590
H          3.56173        3.37027       -1.55131
H          2.23543        1.77565        3.32624
H         -0.11579        1.14028        3.84081
H          0.40449       -2.70179       -0.14754
H         -1.90684       -3.30437        0.38135
H         -3.14568       -2.12530        2.19112
H         -2.05343       -0.27774        3.42720
H          4.50751       -0.72697       -2.69753
H          4.83212       -3.19601       -2.74642
H          4.55339       -5.37812       -1.69276
H          3.73548       -6.77237        0.18243
H          2.51506       -5.71160        2.07472
H          2.05260       -3.30532        2.06961
C         -2.75311        2.18516       -0.03536
C         -1.51394        0.86809       -1.51387
C         -3.45523        0.89030       -0.21267
C         -2.71570        0.10515       -1.10062
C         -4.62285        0.41873        0.34295
C         -3.13091       -1.16276       -1.43633
C         -5.05579       -0.86385       -0.00145
C         -4.31863       -1.64525       -0.88266
N         -1.60929        2.10486       -0.84868
O         -3.06350        3.12598        0.66028
O         -0.62810        0.53591       -2.26858
F         -5.35380        1.13283        1.19727
F         -6.17839       -1.35120        0.52129
F         -4.74135       -2.87154       -1.18011
F         -2.44183       -1.95158       -2.25840
64
l_tfpi_23.log
C         -0.75893        3.34783       -0.60328
C         -1.19352        4.63872       -0.89535
C         -0.25068        5.65620       -0.98636
C          1.10133        5.38333       -0.79673
C          1.52685        4.08449       -0.51506
C          0.58675        3.06045       -0.41056
C          2.99262        3.79424       -0.34326
O          3.16018        2.77559        0.67156
P          4.10324        1.46629        0.39624
C          1.62969        0.88169        2.93763
C          2.34936        0.22080        1.92748
C          1.81147       -0.79654        1.16100
C          0.43973       -1.14676        1.37638
C         -0.29580       -0.49042        2.41673
C          0.33045        0.52104        3.18437
C         -0.23859       -2.10476        0.58020
C         -1.54235       -2.44987        0.84792
C         -2.24632       -1.84290        1.90944
C         -1.63887       -0.86921        2.66359
C          2.64244       -1.44396        0.11910
C          3.24887       -0.64917       -0.83924
C          3.99584       -1.18012       -1.90595
C          4.16426       -2.53768       -2.00102
C          3.63442       -3.40160       -1.01224
C          2.87929       -2.85320        0.07498
C          3.86270       -4.79895       -1.06310
C          3.39683       -5.62556       -0.07004
C          2.69076       -5.08180        1.02418
C          2.43748       -3.73248        1.09593
O          3.67870        0.59563        1.73643
O          3.10390        0.72882       -0.75290
H         -2.24936        4.83893       -1.04902
H         -0.57392        6.66994       -1.20382
H          1.83129        6.18656       -0.86206
H          0.89777        2.04913       -0.16962
H          3.52701        4.69388       -0.01931
H          3.42864        3.46679       -1.29796
H          2.12200        1.66421        3.50655
H         -0.23744        1.01517        3.96858
H          0.28110       -2.57234       -0.24924
H         -2.03854       -3.19314        0.22894
H         -3.27327       -2.13348        2.11361
H         -2.17855       -0.37214        3.46641
H          4.42418       -0.49956       -2.63577
H          4.73141       -2.96419       -2.82445
H          4.42819       -5.20166       -1.90005
H          3.58305       -6.69489       -0.11539
H          2.34969       -5.73571        1.82213
H          1.90226       -3.32970        1.94979
C         -1.68019        1.14095       -1.32170
C         -2.80977        2.29657        0.36479
C         -2.87990        0.35863       -0.93966
C         -3.55299        1.04607        0.07361
C         -3.34330       -0.85219       -1.40017
C         -4.70047        0.53211        0.63372
C         -4.51330       -1.37438       -0.84474
C         -5.18260       -0.69127        0.16323
N         -1.71121        2.29183       -0.51226
O         -0.83883        0.88171       -2.15220
O         -3.06080        3.15470        1.18093
F         -2.71799       -1.54887       -2.34716
F         -4.98402       -2.54648       -1.26402
F         -6.28639       -1.21851        0.68738
F         -5.36398        1.14873        1.61048
64
l_tfpi_24.log
C         -0.76058        3.35259       -0.58923
C         -1.19558        4.64402       -0.87844
C         -0.25253        5.66113       -0.97127
C          1.10001        5.38734       -0.78634
C          1.52578        4.08801       -0.50761
C          0.58550        3.06436       -0.40122
C          2.99193        3.79644       -0.34096
O          3.16222        2.77747        0.67277
P          4.10130        1.46598        0.39379
C          1.63272        0.88651        2.94061
C          2.34844        0.22403        1.92874
C          1.80618       -0.79183        1.16336
C          0.43418       -1.13902        1.38206
C         -0.29726       -0.48109        2.42437
C          0.33322        0.52896        3.19037
C         -0.24816       -2.09589        0.58791
C         -1.55185       -2.43849        0.85934
C         -2.25176       -1.82981        1.92250
C         -1.64043       -0.85705        2.67474
C          2.63316       -1.44072        0.11911
C          3.23879       -0.64676       -0.84046
C          3.98208       -1.17879       -1.90918
C          4.14748       -2.53669       -2.00511
C          3.61830       -3.39989       -1.01541
C          2.86695       -2.85038        0.07390
C          3.84359       -4.79769       -1.06736
C          3.37844       -5.62371       -0.07349
C          2.67616       -5.07894        1.02269
C          2.42584       -3.72915        1.09561
O          3.67838        0.59548        1.73473
O          3.09702        0.73155       -0.75306
H         -2.25182        4.84479       -1.02846
H         -0.57582        6.67533       -1.18647
H          1.83014        6.19029       -0.85310
H          0.89676        2.05264       -0.16254
H          3.52818        4.69557       -0.01867
H          3.42405        3.46931       -1.29755
H          2.12813        1.66781        3.50850
H         -0.23151        1.02448        3.97598
H          0.26833       -2.56481       -0.24279
H         -2.05101       -3.18113        0.24202
H         -3.27877       -2.11806        2.12967
H         -2.17715       -0.35877        3.47879
H          4.41009       -0.49893       -2.63983
H          4.71179       -2.96401       -2.83006
H          4.40619       -5.20126       -1.90582
H          3.56232       -6.69340       -0.11967
H          2.33572       -5.73253        1.82117
H          1.89360       -3.32553        1.95093
C         -1.68563        1.14812       -1.30972
C         -2.81013        2.30126        0.38184
C         -2.88594        0.36682       -0.92749
C         -3.55607        1.05282        0.08868
C         -3.35201       -0.84224       -1.38997
C         -4.70324        0.53919        0.64972
C         -4.52170       -1.36406       -0.83357
C         -5.18807       -0.68236        0.17732
N         -1.71285        2.29661       -0.49678
O         -0.84678        0.89005       -2.14310
O         -3.05850        3.15795        1.20030
F         -2.72939       -1.53769       -2.33966
F         -4.99497       -2.53442       -1.25483
F         -6.29163       -1.20922        0.70235
F         -5.36389        1.15438        1.62933
64
l_tfpi_25.log
C         -1.02571        3.01331        0.00006
C         -1.03160        4.16118        0.78799
C          0.14351        4.89778        0.91506
C          1.29642        4.51371        0.24099
C          1.29088        3.36799       -0.55905
C          0.13090        2.60721       -0.66413
C          2.50305        2.96590       -1.34432
O          3.70144        2.90034       -0.50739
P          4.53872        1.59598       -0.03054
C          1.54652        1.05970        2.13130
C          2.49840        0.42697        1.30920
C          2.22126       -0.73131        0.60267
C          0.86506       -1.19451        0.58781
C         -0.10296       -0.56518        1.43463
C          0.27841        0.54970        2.21986
C          0.43126       -2.24423       -0.26033
C         -0.87460       -2.67562       -0.24142
C         -1.81174       -2.09562        0.63916
C         -1.43017       -1.06024        1.45806
C          3.31187       -1.47009       -0.07371
C          4.15079       -0.81576       -0.95718
C          5.17139       -1.46975       -1.67108
C          5.37535       -2.81106       -1.48020
C          4.60280       -3.52915       -0.53552
C          3.57469       -2.85320        0.19901
C          4.85329       -4.90038       -0.28237
C          4.14764       -5.58012        0.67993
C          3.17013       -4.90453        1.43993
C          2.88953       -3.57876        1.20652
O          3.77693        0.95954        1.31475
O          3.96209        0.53614       -1.19799
H         -1.93758        4.47562        1.29405
H          0.14744        5.79106        1.53287
H          2.20356        5.10558        0.33060
H          0.13145        1.69529       -1.25256
H          2.73626        3.72552       -2.09875
H          2.33896        2.01152       -1.84814
H          1.84611        1.93949        2.69306
H         -0.45832        1.01717        2.86752
H          1.14004       -2.70284       -0.94265
H         -1.18693       -3.47282       -0.91043
H         -2.83431       -2.46291        0.65951
H         -2.14351       -0.59931        2.13709
H          5.77368       -0.89446       -2.36788
H          6.15063       -3.33355       -2.03467
H          5.62865       -5.39985       -0.85836
H          4.35159       -6.63002        0.87057
H          2.63725       -5.43531        2.22413
H          2.14313       -3.07670        1.81248
C         -2.67645        1.68415       -1.32848
C         -3.01262        1.84747        0.97640
C         -3.87057        0.88356       -0.97101
C         -4.07998        0.99296        0.40535
C         -4.68713        0.09521       -1.74962
C         -5.10318        0.30923        1.02177
C         -5.72956       -0.60066       -1.13186
C         -5.93642       -0.49337        0.23835
N         -2.20250        2.22168       -0.11381
O         -2.19206        1.86585       -2.42243
O         -2.83881        2.15939        2.13316
F         -4.51771       -0.04224       -3.06301
F         -6.53314       -1.37522       -1.85578
F         -6.93583       -1.16566        0.80316
F         -5.32614        0.37491        2.33308
64
l_tfpi_26.log
C         -0.90558        2.15862       -0.06598
C         -1.13244        2.64565        1.22023
C         -0.20159        3.50762        1.78969
C          0.95357        3.85578        1.09869
C          1.19045        3.34165       -0.17798
C          0.24681        2.50389       -0.76868
C          2.45347        3.69493       -0.91120
O          3.63787        3.14447       -0.25209
P          4.32053        1.69783       -0.59045
C          3.18690        1.59266        2.86783
C          3.29299        0.82060        1.69722
C          2.35267       -0.12720        1.33617
C          1.15734       -0.21289        2.12036
C          1.03998        0.57168        3.31230
C          2.09113        1.44652        3.67741
C          0.04911       -1.00369        1.72639
C         -1.10041       -1.03584        2.48040
C         -1.19934       -0.29122        3.67486
C         -0.14833        0.49550        4.07943
C          2.59303       -0.99958        0.16292
C          2.87627       -0.43348       -1.06643
C          3.05778       -1.19591       -2.23387
C          2.97187       -2.56213       -2.16802
C          2.74887       -3.21081       -0.92929
C          2.57923       -2.42748        0.25868
C          2.71980       -4.62441       -0.83978
C          2.55952       -5.25119        0.37180
C          2.43495       -4.48276        1.54858
C          2.44390       -3.10891        1.49500
O          4.42953        1.00355        0.91820
O          2.93733        0.94559       -1.17532
H         -2.02001        2.35148        1.76915
H         -0.37629        3.89564        2.78908
H          1.68269        4.52061        1.55542
H          0.41853        2.11299       -1.76541
H          2.61729        4.77669       -0.89923
H          2.41001        3.35880       -1.95159
H          3.98297        2.29124        3.10710
H          1.99781        2.03284        4.58801
H          0.10685       -1.57245        0.80488
H         -1.94336       -1.63692        2.14942
H         -2.11149       -0.33220        4.26373
H         -0.21958        1.09255        4.98559
H          3.25257       -0.68090       -3.16986
H          3.09635       -3.16497       -3.06390
H          2.84062       -5.20379       -1.75204
H          2.54437       -6.33593        0.42989
H          2.33765       -4.98209        2.50877
H          2.35833       -2.53526        2.41188
C         -1.52767        0.11305       -1.37245
C         -3.25117        1.50366       -0.63217
C         -2.81935       -0.46810       -1.80830
C         -3.85078        0.35855       -1.35701
C         -3.09154       -1.60487       -2.53597
C         -5.16691        0.05874       -1.62660
C         -4.42508       -1.91512       -2.81443
C         -5.45143       -1.09403       -2.36292
N         -1.85905        1.28606       -0.66333
O         -0.41124       -0.31206       -1.56537
O         -3.81259        2.45049       -0.12881
F         -2.13850       -2.41689       -2.98967
F         -4.72341       -3.00424       -3.51825
F         -6.71311       -1.41238       -2.64043
F         -6.17938        0.81995       -1.21540
64
l_tfpi_27.log
C         -0.83194        2.20223        0.04009
C         -0.96672        2.65788        1.35046
C          0.02762        3.46756        1.88881
C          1.15383        3.79367        1.14155
C          1.29729        3.31135       -0.16133
C          0.28978        2.52720       -0.71946
C          2.52862        3.64220       -0.95659
O          3.72550        3.02245       -0.38807
P          4.32838        1.56713       -0.82697
C          3.44475        1.40432        2.69323
C          3.43276        0.65963        1.50040
C          2.42741       -0.23591        1.18457
C          1.28864       -0.29270        2.05206
C          1.29189        0.46434        3.26748
C          2.40361        1.28447        3.57584
C          0.12131       -1.02584        1.72190
C         -0.97039       -1.03199        2.55815
C         -0.94971       -0.31643        3.77410
C          0.16020        0.41628        4.11798
C          2.54114       -1.08171       -0.02674
C          2.76120       -0.49146       -1.25772
C          2.81581       -1.22432       -2.45645
C          2.66421       -2.58592       -2.42306
C          2.50108       -3.26204       -1.18973
C          2.46310       -2.50975        0.02956
C          2.40395       -4.67454       -1.13867
C          2.30278       -5.33152        0.06327
C          2.30943       -4.59628        1.26754
C          2.38728       -3.22356        1.25277
O          4.51791        0.81655        0.64574
O          2.88009        0.88532       -1.33503
H         -1.83227        2.37981        1.94158
H         -0.07455        3.83168        2.90703
H          1.93286        4.41735        1.57330
H          0.38785        2.16084       -1.73538
H          2.73605        4.71578       -0.91707
H          2.41067        3.34651       -2.00366
H          4.28645        2.06129        2.89043
H          2.40111        1.85061        4.50389
H          0.08681       -1.57037        0.78475
H         -1.86019       -1.58887        2.27619
H         -1.81718       -0.33605        4.42802
H          0.18041        0.99080        5.04118
H          2.96588       -0.68974       -3.38970
H          2.68891       -3.16530       -3.34249
H          2.42466       -5.22936       -2.07374
H          2.23443       -6.41540        0.09152
H          2.26025       -5.12113        2.21776
H          2.40381       -2.67694        2.18992
C         -3.22783        1.64449       -0.41335
C         -1.59731        0.20348       -1.26016
C         -3.90621        0.52946       -1.11587
C         -2.93040       -0.32956       -1.62645
C         -5.24474        0.27754       -1.31636
C         -3.28048       -1.45172       -2.34296
C         -5.60832       -0.85988       -2.04182
C         -4.63695       -1.71416       -2.55005
N         -1.84815        1.37893       -0.52325
O         -3.72659        2.60304        0.13215
O         -0.50858       -0.25554       -1.52148
F         -6.20579        1.07167       -0.84802
F         -6.89330       -1.13210       -2.25442
F         -5.00904       -2.78842       -3.24151
F         -2.38150       -2.29411       -2.84883
64
l_tfpi_28.log
C         -0.90300        2.75078       -0.11636
C         -0.88533        3.63307        0.96513
C          0.25221        4.39780        1.20104
C          1.37642        4.26402        0.39630
C          1.36601        3.35844       -0.66651
C          0.21937        2.61564       -0.93518
C          2.56300        3.20467       -1.55744
O          3.79417        2.95183       -0.81210
P          4.46773        1.55234       -0.34696
C          1.75905        1.38439        2.25686
C          2.58358        0.63666        1.39630
C          2.20906       -0.60003        0.89562
C          0.87742       -1.05870        1.16571
C          0.02621       -0.28585        2.01880
C          0.50994        0.92268        2.57417
C          0.34328       -2.23612        0.58490
C         -0.94160       -2.64244        0.85595
C         -1.77104       -1.88828        1.71124
C         -1.29495       -0.72823        2.27383
C          3.16544       -1.39766        0.09542
C          3.78386       -0.82718       -1.00278
C          4.64208       -1.54235       -1.85731
C          4.91326       -2.85913       -1.59253
C          4.38131       -3.48444       -0.43875
C          3.51713       -2.74551        0.43275
C          4.71785       -4.82186       -0.11418
C          4.25559       -5.40445        1.04034
C          3.44646       -4.66194        1.92594
C          3.08565       -3.36842        1.63110
O          3.84606        1.14913        1.15358
O          3.54863        0.51378       -1.29431
H         -1.74279        3.71567        1.62169
H          0.26131        5.09039        2.03782
H          2.26801        4.85228        0.59744
H          0.20929        1.93071       -1.77415
H          2.76862        4.13918       -2.09016
H          2.40596        2.41034       -2.29131
H          2.13616        2.32150        2.65304
H         -0.13389        1.49283        3.23882
H          0.95325       -2.81535       -0.10009
H         -1.32787       -3.54506        0.39033
H         -2.78643       -2.21930        1.91259
H         -1.92691       -0.12505        2.92198
H          5.07120       -1.03195       -2.71442
H          5.56457       -3.42970       -2.24949
H          5.36459       -5.37251       -0.79308
H          4.52528       -6.42836        1.28342
H          3.11119       -5.11457        2.85512
H          2.47259       -2.80941        2.33008
C         -2.04366        0.63569       -0.85608
C         -3.38428        2.41605       -0.15703
C         -3.45830        0.19767       -0.88117
C         -4.25869        1.26163       -0.46385
C         -4.01492       -1.01331       -1.22749
C         -5.62806        1.13337       -0.39398
C         -5.40275       -1.15342       -1.15381
C         -6.20049       -0.09206       -0.74167
N         -2.06304        1.96394       -0.36376
O         -1.06730        0.01355       -1.20166
O         -3.71583        3.53081        0.17968
F         -3.28747       -2.05591       -1.62371
F         -5.97407       -2.31063       -1.47783
F         -7.51997       -0.25292       -0.67936
F         -6.42638        2.12506       -0.00286
64
l_tfpi_29.log
C         -0.81681        2.75401        0.09535
C         -0.73469        3.55358        1.23646
C          0.42445        4.28475        1.47319
C          1.50777        4.19662        0.60850
C          1.43368        3.37235       -0.51620
C          0.26401        2.66592       -0.78364
C          2.58674        3.26837       -1.46983
O          3.84085        2.91638       -0.80625
P          4.48294        1.46265       -0.48440
C          1.92741        1.19886        2.26365
C          2.67560        0.48810        1.30723
C          2.23273       -0.70093        0.74990
C          0.90565       -1.13999        1.07008
C          0.13042       -0.40136        2.02044
C          0.68465        0.75233        2.62445
C          0.30063       -2.26012        0.44704
C         -0.97992       -2.64507        0.76549
C         -1.73483       -1.92436        1.71358
C         -1.18870       -0.81960        2.32218
C          3.11187       -1.46653       -0.16213
C          3.67585       -0.83755       -1.25754
C          4.45520       -1.51395       -2.21328
C          4.70262       -2.85252       -2.05611
C          4.22761       -3.54188       -0.91404
C          3.44314       -2.84309        0.05986
C          4.54479       -4.90633       -0.70176
C          4.13982       -5.55472        0.43915
C          3.41037       -4.85480        1.42322
C          3.06962       -3.53554        1.23931
O          3.93744        0.97969        1.02247
O          3.46554        0.52731       -1.43937
H         -1.55913        3.59794        1.93765
H          0.48329        4.91376        2.35683
H          2.41661        4.75798        0.80952
H          0.20294        2.04683       -1.67026
H          2.79869        4.24099       -1.92623
H          2.37635        2.54712       -2.26334
H          2.35686        2.09598        2.69748
H          0.09907        1.29438        3.36239
H          0.84975       -2.81050       -0.30947
H         -1.42145       -3.50315        0.26618
H         -2.74819       -2.23688        1.95128
H         -1.76255       -0.24252        3.04388
H          4.84415       -0.95703       -3.06057
H          5.29295       -3.39322       -2.79129
H          5.13064       -5.42558       -1.45646
H          4.39445       -6.59922        0.59536
H          3.12088       -5.36142        2.33983
H          2.51856       -3.00985        2.01179
C         -3.30147        2.44370        0.15309
C         -2.01593        0.70782       -0.73523
C         -4.20228        1.31981       -0.18982
C         -3.43462        0.28383       -0.72330
C         -5.56746        1.19450       -0.05925
C         -4.01987       -0.89462       -1.12938
C         -6.16838        0.00060       -0.46427
C         -5.40301       -1.03210       -0.99364
N         -1.99730        1.99878       -0.15253
O         -3.60323        3.53363        0.58541
O         -1.06346        0.10210       -1.16614
F         -6.33690        2.15869        0.44282
F         -7.48420       -0.15732       -0.34474
F         -6.00150       -2.15860       -1.37237
F         -3.32472       -1.90685       -1.64428
64
l_tfpi_3.log
C         -0.37949        2.65442       -1.46962
C         -0.35712        3.25681       -2.72537
C          0.71699        4.07627       -3.05362
C          1.74483        4.28990       -2.13945
C          1.70753        3.68787       -0.88140
C          0.63647        2.86326       -0.54504
C          2.81753        3.94837        0.10449
O          2.92034        2.88854        1.08149
P          4.00277        1.68144        0.83538
C          1.33827        0.67415        3.04540
C          2.20276        0.17913        2.05378
C          1.82874       -0.79411        1.14510
C          0.47302       -1.25557        1.17924
C         -0.40260       -0.78546        2.21142
C          0.06137        0.18371        3.13305
C         -0.05257       -2.15402        0.21583
C         -1.33994       -2.62663        0.31868
C         -2.17544       -2.21900        1.38011
C         -1.72122       -1.29814        2.29175
C          2.81358       -1.29821        0.15953
C          3.48003       -0.39244       -0.64856
C          4.37911       -0.78791       -1.65549
C          4.63968       -2.12105       -1.84106
C          4.04869       -3.09536       -1.00063
C          3.13974       -2.68496        0.02836
C          4.36299       -4.46960       -1.14177
C          3.83200       -5.40531       -0.28804
C          2.97227       -4.99813        0.75420
C          2.63443       -3.67458        0.90939
O          3.50764        0.67009        2.04507
O          3.23137        0.96059       -0.48068
H         -1.16507        3.08418       -3.42942
H          0.75470        4.54637       -4.03197
H          2.58766        4.92191       -2.40944
H          0.60553        2.36425        0.41814
H          2.61432        4.86168        0.67611
H          3.77165        4.09083       -0.42186
H          1.70675        1.42938        3.73266
H         -0.61310        0.54264        3.90626
H          0.57243       -2.47496       -0.61105
H         -1.71912       -3.31861       -0.42875
H         -3.18374       -2.61627        1.45780
H         -2.36606       -0.94546        3.09356
H          4.84650       -0.02412       -2.26985
H          5.32372       -2.44386       -2.62180
H          5.04565       -4.76634       -1.93447
H          4.08400       -6.45593       -0.40162
H          2.57890       -5.73775        1.44621
H          1.98151       -3.37747        1.72341
C         -1.84325        0.67031       -1.86754
C         -2.31706        2.02183       -0.02267
C         -3.05066        0.13646       -1.19282
C         -3.33078        0.93990       -0.08496
C         -3.82573       -0.96259       -1.48374
C         -4.39375        0.65500        0.74202
C         -4.91212       -1.25122       -0.65570
C         -5.19322       -0.45066        0.44496
N         -1.46845        1.80277       -1.12265
O         -1.27082        0.24382       -2.84504
O         -2.21779        2.92148        0.78110
F         -3.57815       -1.76458       -2.51778
F         -5.67879       -2.30951       -0.90712
F         -6.22663       -0.75569        1.22621
F         -4.68478        1.38388        1.81834
64
l_tfpi_30.log
C         -0.69030        3.10726       -1.06599
C         -1.14736        4.34671       -1.50717
C         -0.23902        5.39414       -1.61344
C          1.10160        5.20006       -1.29335
C          1.55081        3.95075       -0.86239
C          0.64494        2.89894       -0.74033
C          3.00908        3.74601       -0.55395
O          3.14480        2.77389        0.50873
P          4.15866        1.49812        0.34722
C          1.60931        0.95679        2.81431
C          2.39532        0.26632        1.87593
C          1.92890       -0.81401        1.14985
C          0.56207       -1.20333        1.32860
C         -0.24242       -0.51271        2.29290
C          0.31339        0.56366        3.02562
C         -0.04571       -2.23365        0.56661
C         -1.34807       -2.60887        0.79788
C         -2.12280       -1.96012        1.78267
C         -1.58338       -0.92141        2.50085
C          2.82687       -1.48566        0.18125
C          3.44348       -0.72271       -0.79658
C          4.24988       -1.28365       -1.80303
C          4.46807       -2.63731       -1.81624
C          3.93000       -3.46459       -0.80108
C          3.11515       -2.88540        0.22560
C          4.20661       -4.85365       -0.76645
C          3.73075       -5.64162        0.25289
C          2.96579       -5.06485        1.28914
C          2.66474       -3.72356        1.27701
O          3.71654        0.68301        1.71589
O          3.24591        0.65100       -0.79739
H         -2.19339        4.48546       -1.76178
H         -0.58104        6.36964       -1.94635
H          1.80364        6.02659       -1.37318
H          0.97329        1.92769       -0.38576
H          3.46622        4.68416       -0.22099
H          3.54191        3.41312       -1.45648
H          2.04859        1.78852        3.35611
H         -0.30658        1.08165        3.75292
H          0.52724       -2.73292       -0.20736
H         -1.78853       -3.40860        0.20779
H         -3.14905       -2.27248        1.95629
H         -2.17645       -0.39445        3.24474
H          4.68269       -0.62892       -2.55351
H          5.08076       -3.08730       -2.59325
H          4.81692       -5.28053       -1.55875
H          3.95397       -6.70460        0.27341
H          2.61686       -5.68639        2.10928
H          2.08470       -3.29478        2.08792
C         -1.44546        0.79403       -1.62751
C         -2.78624        2.06057       -0.19421
C         -2.64277       -0.00608       -1.27593
C         -3.44270        0.74871       -0.41442
C         -3.00807       -1.28055       -1.64354
C         -4.62127        0.24008        0.08206
C         -4.20688       -1.80031       -1.15085
C         -5.00351       -1.04929       -0.29538
N         -1.60484        2.02056       -0.95539
O         -0.51867        0.49473       -2.34594
O         -3.15458        2.98542        0.49450
F         -2.26125       -2.04137       -2.44121
F         -4.58367       -3.03293       -1.48222
F         -6.13495       -1.57166        0.17154
F         -5.40964        0.92447        0.90934
64
l_tfpi_31.log
C         -0.98337        3.66551       -0.14430
C         -1.29292        5.00997        0.03540
C         -0.25239        5.93586        0.05768
C          1.06628        5.52603       -0.10522
C          1.36414        4.17336       -0.29238
C          0.33266        3.24248       -0.31411
C          2.80025        3.74040       -0.43089
O          2.84331        2.36277       -0.85602
P          4.00466        1.37203       -0.25851
C          1.06371        0.77309        1.83565
C          2.10913        0.12733        1.15047
C          1.95548       -1.10675        0.54432
C          0.64225       -1.67680        0.50756
C         -0.42655       -1.02610        1.20552
C         -0.17820        0.19449        1.87894
C          0.34394       -2.85120       -0.22848
C         -0.92619       -3.37838       -0.23499
C         -1.96417       -2.76609        0.49861
C         -1.71699       -1.60969        1.19775
C          3.13223       -1.78875       -0.04325
C          3.91171       -1.12687       -0.97417
C          5.01146       -1.72559       -1.61432
C          5.35560       -3.01411       -1.29832
C          4.64448       -3.72623       -0.30233
C          3.53169       -3.10547        0.35325
C          5.03304       -5.03480        0.07689
C          4.37763       -5.70058        1.08348
C          3.31090       -5.07384        1.76147
C          2.89773       -3.81120        1.40718
O          3.34933        0.75400        1.14877
O          3.57558        0.17012       -1.33599
H         -2.32361        5.32815        0.15108
H         -0.47808        6.98918        0.19619
H          1.86924        6.25964       -0.08887
H          0.54967        2.19168       -0.45154
H          3.32086        3.87140        0.52931
H          3.31516        4.35689       -1.17823
H          1.26475        1.72354        2.32072
H         -0.99147        0.67857        2.41476
H          1.12942       -3.33189       -0.80253
H         -1.13323       -4.27439       -0.81368
H         -2.95956       -3.20242        0.49581
H         -2.51316       -1.11421        1.74906
H          5.56247       -1.15270       -2.35420
H          6.19537       -3.49537       -1.79291
H          5.87214       -5.49589       -0.43852
H          4.68722       -6.70155        1.37054
H          2.81497       -5.59179        2.57781
H          2.08311       -3.34206        1.94874
C         -2.12503        1.65445       -1.09690
C         -2.98839        2.56969        0.87034
C         -3.27588        0.82945       -0.66201
C         -3.79982        1.38237        0.50886
C         -3.79984       -0.32561       -1.19542
C         -4.86162        0.79065        1.15513
C         -4.88070       -0.92864       -0.54853
C         -5.40593       -0.37693        0.61375
N         -2.01577        2.68487       -0.14148
O         -1.41709        1.50751       -2.06740
O         -3.09728        3.29109        1.83627
F         -3.30689       -0.90229       -2.28929
F         -5.40385       -2.05203       -1.03301
F         -6.43098       -0.97547        1.21558
F         -5.38619        1.28026        2.27736
64
l_tfpi_32.log
C         -0.92178        3.63724       -0.48757
C         -1.19525        4.99690       -0.38013
C         -0.13693        5.89841       -0.46917
C          1.16341        5.44883       -0.66802
C          1.42502        4.08034       -0.78057
C          0.37586        3.17375       -0.69314
C          2.84429        3.61022       -0.96316
O          2.85332        2.19091       -1.21954
P          4.00239        1.25674       -0.51670
C          1.05767        0.87702        1.63805
C          2.10286        0.16817        1.01730
C          1.95128       -1.12349        0.54444
C          0.63939       -1.69697        0.56970
C         -0.42842       -0.98172        1.20220
C         -0.18127        0.30098        1.74774
C          0.34163       -2.94043       -0.04272
C         -0.92805       -3.46667        0.00608
C         -1.96560       -2.78496        0.67652
C         -1.71764       -1.56514        1.25744
C          3.12847       -1.86193        0.03047
C          3.90468       -1.29984       -0.96608
C          5.00638       -1.95808       -1.54092
C          5.35670       -3.20395       -1.08984
C          4.64835       -3.80953       -0.02394
C          3.53223       -3.12847        0.56288
C          5.04377       -5.06839        0.49158
C          4.39095       -5.62792        1.56249
C          3.32050       -4.93863        2.17037
C          2.90094       -3.72256        1.68489
O          3.34010        0.79570        0.94711
O          3.56345       -0.04882       -1.46086
H         -2.21219        5.34486       -0.23285
H         -0.33435        6.96327       -0.38729
H          1.98088        6.16321       -0.73602
H          0.56548        2.11158       -0.77104
H          3.43308        3.85158       -0.06601
H          3.30935        4.12124       -1.81548
H          1.25693        1.87255        2.02306
H         -0.99329        0.83253        2.23846
H          1.12669       -3.47583       -0.56685
H         -1.13505       -4.41642       -0.47947
H         -2.96052       -3.22016        0.71962
H         -2.51195       -1.01809        1.76039
H          5.55455       -1.46448       -2.33787
H          6.19879       -3.73170       -1.53007
H          5.88580       -5.57691        0.02827
H          4.70548       -6.59123        1.95397
H          2.82626       -5.37000        3.03656
H          2.08438       -3.20209        2.17402
C         -2.89031        2.65583        0.69939
C         -2.14997        1.59428       -1.24434
C         -3.73742        1.46143        0.46481
C         -3.28788        0.82230       -0.69338
C         -4.76905        0.93291        1.20772
C         -3.85929       -0.35479       -1.11899
C         -5.35938       -0.25837        0.77743
C         -4.90954       -0.89437       -0.37306
N         -1.97218        2.68310       -0.36784
O         -2.93706        3.44439        1.61652
O         -1.49915        1.36932       -2.23959
F         -5.22269        1.50403        2.32223
F         -6.35586       -0.79859        1.47448
F         -5.47606       -2.03704       -0.75209
F         -3.44105       -1.01126       -2.19893
64
l_tfpi_33.log
C         -0.80950        2.25708        0.15735
C         -0.91377        2.69950        1.47503
C          0.10374        3.48537        2.00550
C          1.22235        3.80076        1.24245
C          1.33465        3.33208       -0.06850
C          0.30438        2.57191       -0.61796
C          2.55878        3.65033       -0.87985
O          3.75092        2.99878       -0.33765
P          4.32496        1.54465       -0.81783
C          3.50585        1.34221        2.71225
C          3.46111        0.61388        1.51017
C          2.43578       -0.26072        1.19998
C          1.31155       -0.31116        2.08642
C          1.34775        0.42993        3.31116
C          2.47785        1.22771        3.61086
C          0.12725       -1.02169        1.76758
C         -0.94986       -1.02119        2.62256
C         -0.89711       -0.32136        3.84669
C          0.23013        0.38930        4.18042
C          2.51402       -1.09005       -0.02551
C          2.71987       -0.48396       -1.25127
C          2.74155       -1.19871       -2.46190
C          2.57040       -2.55835       -2.44646
C          2.41915       -3.25098       -1.22081
C          2.41448       -2.51732        0.01033
C          2.30071       -4.66243       -1.18951
C          2.21000       -5.33636        0.00384
C          2.24870       -4.62014        1.21891
C          2.34806       -3.24872        1.22369
O          4.53275        0.76605        0.63740
O          2.85722        0.89206       -1.30918
H         -1.77395        2.42980        2.07776
H          0.02585        3.83869        3.02966
H          2.01979        4.40526        1.66779
H          0.37832        2.21581       -1.63958
H          2.78794        4.71903       -0.82981
H          2.41842        3.37112       -1.92868
H          4.36138        1.98291        2.90330
H          2.50044        1.78140        4.54611
H          0.06808       -1.55441        0.82494
H         -1.85294       -1.56086        2.34945
H         -1.75342       -0.33556        4.51528
H          0.27591        0.95140        5.11030
H          2.88252       -0.65187       -3.38943
H          2.56983       -3.12376       -3.37487
H          2.29614       -5.20294       -2.13315
H          2.12501       -6.41934        0.01666
H          2.20720       -5.15881        2.16173
H          2.38891       -2.71676        2.16850
C         -3.22191        1.74573       -0.26284
C         -1.63059        0.28290       -1.14602
C         -3.93095        0.64760       -0.96213
C         -2.97843       -0.22559       -1.49206
C         -5.27662        0.41894       -1.14215
C         -3.35860       -1.33954       -2.20590
C         -5.67077       -0.70939       -1.86593
C         -4.72234       -1.57852       -2.39207
N         -1.84900        1.45694       -0.39679
O         -3.69491        2.70872        0.29742
O         -0.55443       -0.19210       -1.42978
F         -6.21667        1.22726       -0.65576
F         -6.96337       -0.95898       -2.05928
F         -5.12324       -2.64430       -3.08048
F         -2.48160       -2.19531       -2.72757
64
l_tfpi_34.log
C         -0.69512        3.18140       -1.07927
C         -1.12616        4.42174       -1.54336
C         -0.19678        5.44888       -1.66497
C          1.13880        5.23400       -1.33750
C          1.56190        3.98369       -0.88342
C          0.63490        2.95250       -0.74586
C          3.01499        3.75572       -0.56673
O          3.12933        2.79343        0.50684
P          4.11836        1.49625        0.36586
C          1.55875        1.04913        2.83945
C          2.32980        0.32648        1.91301
C          1.84007       -0.75484        1.20411
C          0.46499       -1.11115        1.38802
C         -0.32477       -0.38729        2.34015
C          0.25436        0.68820        3.05591
C         -0.16499       -2.14037        0.64281
C         -1.47549       -2.48284        0.87902
C         -2.23660       -1.80067        1.85178
C         -1.67463       -0.76256        2.55332
C          2.72398       -1.46182        0.24762
C          3.35795       -0.72859       -0.74179
C          4.15350       -1.32328       -1.73750
C          4.34270       -2.68130       -1.72790
C          3.78566       -3.47986       -0.70002
C          2.98209       -2.86645        0.31567
C          4.03255       -4.87371       -0.64176
C          3.53880       -5.63422        0.38985
C          2.78503       -5.02414        1.41515
C          2.51263       -3.67708        1.38023
O          3.65987        0.71173        1.74711
O          3.18997        0.64878       -0.76584
H         -2.16845        4.57716       -1.80375
H         -0.51849        6.42493       -2.01603
H          1.85715        6.04510       -1.42954
H          0.94294        1.98114       -0.37373
H          3.48771        4.68924       -0.24244
H          3.54507        3.40371       -1.46362
H          2.01570        1.87960        3.36844
H         -0.35425        1.23177        3.77406
H          0.39675       -2.66557       -0.12223
H         -1.93283       -3.28251        0.30184
H         -3.26973       -2.08702        2.02938
H         -2.25627       -0.21005        3.28762
H          4.60105       -0.69052       -2.49812
H          4.94663       -3.15735       -2.49615
H          4.63467       -5.32665       -1.42581
H          3.73939       -6.70121        0.42847
H          2.42215       -5.62427        2.24514
H          1.94131       -3.22233        2.18310
C         -1.49470        0.87575       -1.60757
C         -2.81361        2.18968       -0.19687
C         -2.70835        0.10479       -1.24765
C         -3.49573        0.88801       -0.40012
C         -3.09696       -1.16795       -1.59672
C         -4.68493        0.40957        0.10094
C         -4.30671       -1.65709       -1.09952
C         -5.09091       -0.87794       -0.25788
N         -1.63109        2.11483       -0.95346
O         -0.57235        0.54780       -2.31913
O         -3.16534        3.13166        0.47725
F         -2.36254       -1.95488       -2.38044
F         -4.70613       -2.88718       -1.41338
F         -6.23343       -1.37147        0.21351
F         -5.46195        1.12164        0.91552
64
l_tfpi_35.log
C         -0.98643        3.61103       -0.30116
C         -1.30814        4.95629       -0.15165
C         -0.27571        5.89148       -0.14792
C          1.04677        5.48964       -0.29910
C          1.35687        4.13587       -0.45585
C          0.33351        3.19584       -0.45914
C          2.79679        3.71245       -0.58313
O          2.85319        2.32242       -0.96359
P          4.01777        1.35986       -0.32821
C          1.06190        0.78669        1.75346
C          2.12191        0.13398        1.09774
C          1.98858       -1.11878        0.52593
C          0.68247       -1.70498        0.49226
C         -0.40109       -1.04704        1.16000
C         -0.17367        0.19497        1.80080
C          0.40548       -2.90348       -0.21261
C         -0.85869       -3.44481       -0.21807
C         -1.91164       -2.82339        0.48585
C         -1.68491       -1.64509        1.15472
C          3.17897       -1.80286       -0.03083
C          3.95870       -1.15827       -0.97345
C          5.07202       -1.76065       -1.58598
C          5.43003       -3.03463       -1.22895
C          4.71902       -3.72649       -0.21876
C          3.59157       -3.10208        0.40768
C          5.12235       -5.01720        0.20375
C          4.46694       -5.66147        1.22420
C          3.38481       -5.02995        1.87279
C          2.95690       -3.78495        1.47605
O          3.35466        0.77514        1.09028
O          3.60979        0.12376       -1.37468
H         -2.34185        5.26770       -0.04468
H         -0.51065        6.94557       -0.03273
H          1.84333        6.23038       -0.29685
H          0.55985        2.14424       -0.57283
H          3.31820        3.87976        0.37086
H          3.30419        4.30898       -1.35155
H          1.24672        1.75313        2.21267
H         -0.99797        0.68468        2.31415
H          1.20261       -3.39168       -0.76377
H         -1.04923       -4.35931       -0.77301
H         -2.90211       -3.27076        0.48427
H         -2.49261       -1.14315        1.68282
H          5.62267       -1.20245       -2.33726
H          6.28086       -3.51892       -1.70113
H          5.97282       -5.48158       -0.28956
H          4.78801       -6.64858        1.54462
H          2.88825       -5.52995        2.69985
H          2.13063       -3.31150        1.99582
C         -2.10972        1.57206       -1.21408
C         -2.98245        2.51805        0.73437
C         -3.25371        0.74576       -0.76387
C         -3.78345        1.31683        0.39568
C         -3.76765       -0.42353       -1.27543
C         -4.84123        0.72908        1.05210
C         -4.84476       -1.02244       -0.61855
C         -5.37578       -0.45286        0.53246
N         -2.01019        2.62157       -0.27892
O         -1.40019        1.41278       -2.18146
O         -3.09873        3.25810        1.68517
F         -3.26860       -1.01732       -2.35733
F         -5.35867       -2.15865       -1.08258
F         -6.39697       -1.04787        1.14421
F         -5.37083        1.23570        2.16434
64
l_tfpi_36.log
C         -0.93533        3.60038       -0.55080
C         -1.22309        4.95818       -0.45849
C         -0.17294        5.86923       -0.54729
C          1.13343        5.43078       -0.73100
C          1.40943        4.06397       -0.82852
C          0.36849        3.14796       -0.74124
C          2.83457        3.60559       -0.99454
O          2.85838        2.18466       -1.24006
P          4.01060        1.26466       -0.52431
C          1.05608        0.87858        1.61511
C          2.11020        0.17283        1.00608
C          1.97112       -1.12338        0.54200
C          0.66336       -1.70643        0.56374
C         -0.41353       -0.99445        1.18452
C         -0.17920        0.29417        1.72179
C          0.37850       -2.95656       -0.04113
C         -0.88743       -3.49204        0.00425
C         -1.93398       -2.81317        0.66345
C         -1.69867       -1.58715        1.23650
C          3.15686       -1.85659        0.04040
C          3.93458       -1.29586       -0.95577
C          5.04444       -1.95002       -1.51951
C          5.40149       -3.18991       -1.05737
C          4.69147       -3.79310        0.00880
C          3.56703       -3.11616        0.58434
C          5.09307       -5.04535        0.53549
C          4.43816       -5.60208        1.60659
C          3.35930       -4.91635        2.20350
C          2.93374       -3.70682        1.70702
O          3.34336        0.80892        0.93877
O          3.58690       -0.05112       -1.46168
H         -2.24457        5.29752       -0.32296
H         -0.38153        6.93279       -0.47717
H          1.94437        6.15257       -0.79889
H          0.56923        2.08706       -0.80770
H          3.41246        3.85890       -0.09356
H          3.30311        4.11454       -1.84621
H          1.24570        1.87842        1.99380
H         -0.99794        0.82339        2.20377
H          1.17055       -3.48986       -0.55679
H         -1.08435       -4.44698       -0.47528
H         -2.92583       -3.25556        0.70417
H         -2.50024       -1.04240        1.73032
H          5.59348       -1.45811       -2.31692
H          6.24998       -3.71458       -1.48893
H          5.94145       -5.55094        0.08065
H          4.75746       -6.56028        2.00671
H          2.86324       -5.34512        3.06995
H          2.11061       -3.18881        2.18770
C         -2.90481        2.60996        0.62751
C         -2.13727        1.53967       -1.30083
C         -3.73900        1.40603        0.39490
C         -3.27304        0.76183       -0.75397
C         -4.77317        0.87428        1.13196
C         -3.83019       -0.42333       -1.17603
C         -5.34938       -0.32513        0.70499
C         -4.88324       -0.96598       -0.43636
N         -1.97701        2.63675       -0.43129
O         -2.96743        3.40584        1.53736
O         -1.47554        1.31286       -2.28844
F         -5.24231        1.44988        2.23771
F         -6.34813       -0.86839        1.39644
F         -5.43666       -2.11604       -0.81236
F         -3.39570       -1.08427       -2.24675
64
l_tfpi_37.log
C         -0.85185        2.18898        0.14798
C         -1.02357        2.64893        1.45265
C         -0.06033        3.48581        2.00553
C          1.07238        3.83492        1.27873
C          1.25357        3.34819       -0.01774
C          0.27686        2.53640       -0.59084
C          2.49367        3.70203       -0.78886
O          3.69052        3.11109       -0.18954
P          4.33600        1.66848       -0.61014
C          3.37963        1.50237        2.89067
C          3.41241        0.75152        1.70215
C          2.43629       -0.17003        1.36954
C          1.28045       -0.25018        2.21195
C          1.23813        0.51275        3.42288
C          2.32247        1.36140        3.75092
C          0.13858       -1.01258        1.85969
C         -0.97167       -1.03979        2.67072
C         -0.99561       -0.31801        3.88291
C          0.08894        0.44194        4.24800
C          2.59746       -1.01864        0.16551
C          2.82934       -0.42828       -1.06327
C          2.93139       -1.16501       -2.25653
C          2.81551       -2.53002       -2.21934
C          2.64175       -3.20449       -0.98654
C          2.55531       -2.44784        0.22758
C          2.58123       -4.61881       -0.93017
C          2.46963       -5.27259        0.27259
C          2.42826       -4.53184        1.47278
C          2.46963       -3.15760        1.45249
O          4.51216        0.93019        0.87046
O          2.91429        0.95090       -1.14389
H         -1.89362        2.35284        2.02819
H         -0.19159        3.85310        3.01931
H          1.82735        4.47974        1.72202
H          0.40473        2.16662       -1.60217
H          2.67737        4.77997       -0.75150
H          2.40522        3.39753       -1.83628
H          4.20014        2.18117        3.10271
H          2.28524        1.93229        4.67529
H          0.13822       -1.56303        0.92535
H         -1.84151       -1.61867        2.37123
H         -1.87716       -0.35468        4.51695
H          0.07474        1.02132        5.16828
H          3.08912       -0.63095       -3.18883
H          2.87770       -3.11294       -3.13474
H          2.63860       -5.17727       -1.86155
H          2.42969       -6.35778        0.30490
H          2.37047       -5.05326        2.42440
H          2.44896       -2.60634        2.38680
C         -1.54514        0.16893       -1.16071
C         -3.22436        1.57356       -0.34876
C         -2.85838       -0.39486       -1.55251
C         -3.86322        0.44193       -1.06157
C         -3.16934       -1.52582       -2.27339
C         -5.19158        0.15865       -1.28576
C         -4.51545       -1.81981       -2.50486
C         -5.51545       -0.98791       -2.01557
N         -1.83714        1.33886       -0.43004
O         -0.44137       -0.26616       -1.39891
O         -3.75574        2.52208        0.18334
F         -2.24248       -2.34798       -2.76198
F         -4.85056       -2.90306       -3.20119
F         -6.78981       -1.29003       -2.25045
F         -6.17949        0.93061       -0.83658
64
l_tfpi_38.log
C         -0.85852        2.21154        0.14427
C         -1.03306        2.67639        1.44681
C         -0.06763        3.50982        2.00110
C          1.06997        3.85065        1.27802
C          1.25382        3.35895       -0.01617
C          0.27502        2.55089       -0.59092
C          2.49877        3.70367       -0.78370
O          3.69066        3.10852       -0.17896
P          4.32923        1.66006       -0.58898
C          3.35291        1.50947        2.90836
C          3.38777        0.75577        1.72170
C          2.40843       -0.16139        1.38632
C          1.24765       -0.23291        2.22260
C          1.20320        0.53298        3.43155
C          2.29056        1.37621        3.76342
C          0.10343       -0.98975        1.86602
C         -1.01121       -1.00888        2.67118
C         -1.03753       -0.28421        3.88157
C          0.04929        0.47052        4.25069
C          2.57185       -1.01458        0.18584
C          2.81386       -0.42937       -1.04347
C          2.91941       -1.17039       -2.23372
C          2.79667       -2.53472       -2.19277
C          2.61218       -3.20431       -0.95890
C          2.52220       -2.44332        0.25224
C          2.54423       -4.61812       -0.89833
C          2.42207       -5.26738        0.30582
C          2.37720       -4.52257        1.50335
C          2.42568       -3.14865        1.47889
O          4.49271        0.92638        0.89548
O          2.90599        0.94926       -1.12770
H         -1.90692        2.38681        2.01982
H         -0.20119        3.88089        3.01319
H          1.82666        4.49260        1.72251
H          0.40544        2.17730       -1.60049
H          2.68801        4.78074       -0.74911
H          2.41230        3.39632       -1.83046
H          4.17606        2.18419        3.12316
H          2.25173        1.94922        4.68640
H          0.10491       -1.54224        0.93288
H         -1.88268       -1.58361        2.36848
H         -1.92261       -0.31460        4.51100
H          0.03342        1.05211        5.16954
H          3.08521       -0.64016       -3.16679
H          2.86150       -3.12087       -3.10590
H          2.60439       -5.17990       -1.82752
H          2.37647       -6.35224        0.34141
H          2.31094       -5.04064        2.45624
H          2.40218       -2.59419        2.41122
C         -1.55583        0.19296       -1.16431
C         -3.23218        1.60372       -0.35717
C         -2.86996       -0.36606       -1.55974
C         -3.87312        0.47421       -1.07141
C         -3.18297       -1.49605       -2.28129
C         -5.20192        0.19536       -1.29868
C         -4.52950       -1.78553       -2.51593
C         -5.52788       -0.95025       -2.02904
N         -1.84550        1.36446       -0.43522
O         -0.45305       -0.24639       -1.39924
O         -3.76161        2.55466        0.17250
F         -2.25770       -2.32120       -2.76781
F         -4.86655       -2.86766       -3.21305
F         -6.80266       -1.24829       -2.26683
F         -6.18826        0.97062       -0.85180
64
l_tfpi_39.log
C         -0.77600        2.23114        0.34244
C         -0.83976        2.62067        1.67902
C          0.19599        3.38230        2.20969
C          1.29191        3.72563        1.42590
C          1.36302        3.31043        0.09418
C          0.31474        2.57393       -0.45332
C          2.56229        3.66039       -0.74082
O          3.76837        2.98654       -0.26058
P          4.32747        1.55592       -0.82180
C          3.64232        1.22341        2.72347
C          3.55599        0.53609        1.49965
C          2.52163       -0.33051        1.19682
C          1.43082       -0.41579        2.12151
C          1.50937        0.28393        3.36849
C          2.64764        1.07529        3.65401
C          0.23778       -1.12024        1.82237
C         -0.80678       -1.15421        2.71635
C         -0.71182       -0.49499        3.96030
C          0.42426        0.20977        4.27596
C          2.55632       -1.11481       -0.05994
C          2.71379       -0.46247       -1.26908
C          2.69327       -1.13162       -2.50551
C          2.52776       -2.49173       -2.53454
C          2.42366       -3.23004       -1.33087
C          2.46186       -2.54278       -0.07374
C          2.30936       -4.64202       -1.34795
C          2.26275       -5.36023       -0.17816
C          2.34346       -4.68968        1.06068
C          2.44043       -3.31912        1.11307
O          4.59412        0.72279        0.59347
O          2.84385        0.91539       -1.28030
H         -1.68353        2.32935        2.29507
H          0.15038        3.69499        3.24887
H          2.10362        4.31141        1.85051
H          0.35601        2.25772       -1.48995
H          2.79473        4.72614       -0.65531
H          2.38956        3.42359       -1.79521
H          4.50274        1.86027        2.90527
H          2.70330        1.59679        4.60624
H          0.14574       -1.62111        0.86513
H         -1.71718       -1.68917        2.45877
H         -1.54290       -0.53546        4.65899
H          0.50254        0.74082        5.22179
H          2.79789       -0.55002       -3.41656
H          2.49474       -3.02226       -3.48276
H          2.27117       -5.14702       -2.31033
H          2.18002       -6.44320       -0.20281
H          2.33670       -5.26319        1.98362
H          2.51353       -2.82236        2.07495
C         -3.20076        1.75607       -0.04691
C         -1.64087        0.29647       -0.98987
C         -3.93389        0.68193       -0.75932
C         -3.00003       -0.19120       -1.32174
C         -5.28472        0.47150       -0.92227
C         -3.40402       -1.28823       -2.04842
C         -5.70302       -0.63908       -1.65993
C         -4.77307       -1.50941       -2.21622
N         -1.83417        1.45578       -0.21194
O         -3.65264        2.70984        0.54553
O         -0.57456       -0.18159       -1.30383
F         -6.20802        1.28117       -0.40685
F         -7.00134       -0.87092       -1.83664
F         -5.19672       -2.55944       -2.91512
F         -2.54466       -2.14460       -2.59774
64
l_tfpi_4.log
C         -0.46138        2.76040       -1.32746
C         -0.47155        3.39016       -2.57012
C          0.61315        4.18439       -2.92503
C          1.68185        4.35142       -2.04901
C          1.67654        3.72409       -0.80264
C          0.59860        2.91982       -0.44189
C          2.82543        3.94496        0.14768
O          2.91720        2.88616        1.12658
P          3.98189        1.66470        0.87530
C          1.29431        0.65776        3.06750
C          2.15719        0.17036        2.07052
C          1.77694       -0.78649        1.14721
C          0.41666       -1.23449        1.16943
C         -0.45729       -0.77369        2.20709
C          0.01334        0.17614        3.14549
C         -0.11450       -2.10981        0.18814
C         -1.40718       -2.57062        0.27765
C         -2.24087       -2.17573        1.34516
C         -1.78031       -1.27651        2.27521
C          2.76103       -1.29024        0.16084
C          3.44179       -0.38348       -0.63379
C          4.34447       -0.77800       -1.63784
C          4.59342       -2.11184       -1.83418
C          3.98623       -3.08838       -1.00796
C          3.07333       -2.67903        0.01795
C          4.28822       -4.46421       -1.16004
C          3.74099       -5.40294       -0.31995
C          2.87656       -4.99749        0.71904
C          2.55068       -3.67222        0.88472
O          3.46649        0.64908        2.07278
O          3.20570        0.97030       -0.45262
H         -1.31180        3.25946       -3.24437
H          0.62486        4.67413       -3.89437
H          2.52959        4.96797       -2.33878
H          0.59284        2.40344        0.51205
H          2.67380        4.86880        0.71854
H          3.76772        4.05000       -0.40802
H          1.66732        1.39949        3.76694
H         -0.65978        0.52876        3.92282
H          0.51083       -2.42199       -0.64188
H         -1.79115       -3.24437       -0.48381
H         -3.25298       -2.56491        1.41326
H         -2.42435       -0.93271        3.08158
H          4.82432       -0.01307       -2.24106
H          5.28061       -2.43388       -2.61246
H          4.97449       -4.75993       -1.94997
H          3.98366       -6.45484       -0.44174
H          2.47001       -5.73990        1.40038
H          1.89403       -3.37687        1.69636
C         -2.05898        0.87961       -1.72803
C         -2.30346        2.12111        0.23490
C         -3.23153        0.35794       -0.98555
C         -3.37304        1.09519        0.19241
C         -4.08874       -0.67868       -1.27679
C         -4.37265        0.80436        1.09272
C         -5.11348       -0.97089       -0.37430
C         -5.25409       -0.23737        0.79765
N         -1.56233        1.93975       -0.94783
O         -1.59400        0.49207       -2.77635
O         -2.09247        2.95857        1.08305
F         -3.97915       -1.41677       -2.38015
F         -5.95768       -1.96873       -0.62426
F         -6.22973       -0.54688        1.64818
F         -4.52629        1.46656        2.23836
64
l_tfpi_40.log
C         -2.09240        2.07353        0.79228
C         -2.17019        1.79064        2.15155
C         -1.09932        2.13185        2.97370
C          0.02667        2.74623        2.43909
C          0.10050        3.02236        1.07135
C         -0.96836        2.68393        0.24387
C          1.36750        3.56900        0.47711
O          2.40255        2.53525        0.43278
P          2.15010        1.26191       -0.57096
C          5.50400        1.10905        0.79486
C          4.43066        0.29631        0.38943
C          4.11576       -0.89892        1.01002
C          4.85908       -1.26157        2.17995
C          5.95986       -0.44386        2.59396
C          6.26896        0.73118        1.86712
C          4.51893       -2.38051        2.98163
C          5.25373       -2.69938        4.09930
C          6.36627       -1.91875        4.47791
C          6.70522       -0.80995        3.74170
C          3.00405       -1.72792        0.49001
C          1.75738       -1.14970        0.32448
C          0.62804       -1.87758       -0.09224
C          0.75460       -3.21294       -0.37583
C          2.01681       -3.85053       -0.29722
C          3.16430       -3.10060        0.12061
C          2.17016       -5.21427       -0.64933
C          3.40534       -5.81456       -0.62279
C          4.54321       -5.06580       -0.25413
C          4.42748       -3.74450        0.10807
O          3.70577        0.71362       -0.72273
O          1.60072        0.19657        0.61414
H         -3.05877        1.31683        2.55793
H         -1.15053        1.91869        4.03729
H          0.86444        3.00302        3.08277
H         -0.92249        2.87622       -0.82497
H          1.79619        4.35962        1.09781
H          1.19398        3.95921       -0.53263
H          5.70733        2.02162        0.24306
H          7.10814        1.34390        2.18676
H          3.65943       -2.98626        2.71396
H          4.96956       -3.55788        4.70179
H          6.94095       -2.18797        5.35971
H          7.54520       -0.18485        4.03535
H         -0.32582       -1.36398       -0.17311
H         -0.11046       -3.79280       -0.68771
H          1.28854       -5.77347       -0.95375
H          3.51259       -6.85955       -0.89985
H          5.52245       -5.53671       -0.26392
H          5.31423       -3.18022        0.37815
C         -3.96298        2.65925       -0.75690
C         -3.58206        0.39894       -0.30746
C         -4.96217        1.85743       -1.50557
C         -4.73249        0.50423       -1.23878
C         -5.99382        2.24994       -2.32806
C         -5.52891       -0.47089       -1.79553
C         -6.80924        1.26565       -2.89250
C         -6.57867       -0.07945       -2.63045
N         -3.17970        1.72247       -0.06105
O         -3.82529        3.86115       -0.72050
O         -3.06847       -0.59408        0.15765
F         -6.24923        3.52736       -2.60377
F         -7.81879        1.61257       -3.68652
F         -7.37149       -0.99663       -3.17827
F         -5.34435       -1.76937       -1.56591
64
l_tfpi_41.log
C         -1.46484        3.59981       -1.16044
C         -1.30482        4.81603       -1.81759
C         -0.12564        5.52926       -1.62604
C          0.87958        5.02259       -0.80987
C          0.71133        3.79937       -0.15633
C         -0.47397        3.08846       -0.32592
C          1.80284        3.29350        0.75207
O          1.71079        1.87182        0.99850
P          2.27754        0.88144       -0.18607
C          4.49815        0.58152        2.65718
C          3.88561       -0.17659        1.64327
C          3.44007       -1.47097        1.84038
C          3.52256       -2.01676        3.16116
C          4.15301       -1.25392        4.19695
C          4.64767        0.04081        3.90763
C          2.96010       -3.27269        3.50281
C          3.05585       -3.76546        4.78291
C          3.71705       -3.03179        5.79047
C          4.24757       -1.79824        5.50148
C          2.85691       -2.22209        0.70459
C          1.81045       -1.66193       -0.00536
C          1.16103       -2.32640       -1.06069
C          1.58619       -3.57565       -1.43229
C          2.69682       -4.17903       -0.79412
C          3.35741       -3.49216        0.27615
C          3.18445       -5.44101       -1.21441
C          4.29583       -5.99721       -0.62962
C          4.97277       -5.30296        0.39556
C          4.51688       -4.08367        0.83813
O          3.77131        0.40854        0.38832
O          1.35113       -0.40076        0.35416
H         -2.08441        5.19077       -2.47298
H          0.01573        6.47797       -2.13535
H          1.80577        5.57803       -0.68181
H         -0.63014        2.14446        0.18579
H          1.72277        3.75851        1.74119
H          2.78787        3.55766        0.34526
H          4.84545        1.58374        2.42455
H          5.12714        0.61112        4.69914
H          2.43787       -3.84605        2.74396
H          2.61106       -4.72740        5.02277
H          3.79064       -3.43789        6.79539
H          4.73902       -1.21102        6.27360
H          0.33109       -1.83448       -1.55894
H          1.08920       -4.10721       -2.23970
H          2.66622       -5.95478       -2.02050
H          4.66507       -6.96291       -0.96317
H          5.86812       -5.73360        0.83547
H          5.05646       -3.55906        1.61989
C         -3.95403        3.38195       -1.11912
C         -2.70528        1.51510       -1.76215
C         -4.89053        2.27405       -1.42712
C         -4.14339        1.15469       -1.80390
C         -6.26544        2.22334       -1.38202
C         -4.76255       -0.02801       -2.14060
C         -6.90080        1.02669       -1.72298
C         -6.15795       -0.08679       -2.09712
N         -2.66710        2.85755       -1.34130
O         -4.20661        4.50404       -0.74281
O         -1.74572        0.83107       -2.03836
F         -7.01370        3.26728       -1.03023
F         -8.22841        0.94558       -1.69133
F         -6.78838       -1.21441       -2.41523
F         -4.08665       -1.11729       -2.50126
64
l_tfpi_42.log
C         -1.03589        2.26495        0.11032
C         -1.06885        2.53580        1.47432
C          0.00803        3.20340        2.05123
C          1.10020        3.57603        1.27411
C          1.13177        3.28542       -0.09186
C          0.04657        2.63901       -0.67685
C          2.36410        3.58681       -0.90062
O          3.47703        2.75011       -0.45847
P          3.79060        1.29757       -1.15228
C          4.42369        1.35123        2.37444
C          3.89971        0.52953        1.36125
C          2.81056       -0.29910        1.55218
C          2.11571       -0.20997        2.80227
C          2.63860        0.62892        3.83885
C          3.81604        1.37925        3.60219
C          0.88366       -0.87155        3.03357
C          0.22516       -0.73980        4.23349
C          0.76454        0.05235        5.26881
C          1.94601        0.72466        5.07073
C          2.36923       -1.21120        0.47038
C          2.08789       -0.69905       -0.78437
C          1.58190       -1.49074       -1.83244
C          1.38030       -2.83133       -1.63098
C          1.71855       -3.43299       -0.39460
C          2.24016       -2.62295        0.66613
C          1.57275       -4.82805       -0.19655
C          1.94951       -5.41524        0.98662
C          2.50054       -4.62574        2.01806
C          2.64179       -3.26676        1.86408
O          4.54370        0.55788        0.12417
O          2.24142        0.65324       -1.01372
H         -1.92379        2.22871        2.06966
H         -0.00411        3.42543        3.11438
H          1.94774        4.07768        1.73529
H          0.05922        2.38500       -1.73296
H          2.70339        4.61380       -0.73725
H          2.17788        3.44655       -1.97231
H          5.30140        1.95257        2.15859
H          4.21143        2.00633        4.39722
H          0.44541       -1.47095        2.24311
H         -0.72505       -1.24563        4.38212
H          0.23580        0.14066        6.21380
H          2.36155        1.35772        5.85125
H          1.35451       -1.01627       -2.78247
H          0.97879       -3.45278       -2.42739
H          1.16633       -5.42701       -1.00809
H          1.83828       -6.48683        1.12649
H          2.82288       -5.09790        2.94214
H          3.07700       -2.67751        2.66453
C         -2.35162        0.18145       -0.27844
C         -2.98076        2.09972       -1.45176
C         -3.49616       -0.16223       -1.15850
C         -3.87041        0.98508       -1.86426
C         -4.15018       -1.35743       -1.35487
C         -4.90540        0.95006       -2.77119
C         -5.19980       -1.40069       -2.27599
C         -5.57437       -0.25944       -2.97481
N         -2.11165        1.54868       -0.49649
O         -1.72645       -0.53641        0.46976
O         -2.97472        3.24866       -1.83314
F         -3.82292       -2.47250       -0.70434
F         -5.84965       -2.54136       -2.49307
F         -6.57712       -0.32837       -3.84683
F         -5.29015        2.01886       -3.46661
64
l_tfpi_43.log
C         -1.16897        2.12489        0.76965
C         -1.14896        2.04626        2.15917
C         -0.05584        2.56727        2.84537
C          0.99663        3.15340        2.14995
C          0.97349        3.21946        0.75462
C         -0.12082        2.70655        0.06406
C          2.14998        3.78340        0.00476
O          3.32950        2.94493        0.19890
P          3.71033        1.75107       -0.85773
C          4.41559        0.88228        2.55151
C          3.93695        0.33417        1.34882
C          2.92264       -0.60318        1.30038
C          2.25371       -0.92728        2.52474
C          2.73131       -0.37048        3.75502
C          3.83658        0.51446        3.73789
C          1.08965       -1.73494        2.56193
C          0.45306       -2.00332        3.75082
C          0.94927       -1.48702        4.96625
C          2.06414       -0.68463        4.96447
C          2.52979       -1.20555        0.00448
C          2.17148       -0.38032       -1.04713
C          1.71726       -0.87604       -2.28331
C          1.64494       -2.23046       -2.48166
C          2.06172       -3.13061       -1.47117
C          2.53020       -2.61883       -0.21707
C          2.04595       -4.53049       -1.68776
C          2.49692       -5.39809       -0.72317
C          2.99605       -4.89450        0.49677
C          3.01243       -3.54227        0.74500
O          4.54845        0.75568        0.16815
O          2.20817        0.98915       -0.86815
H         -1.97688        1.58951        2.69260
H         -0.02896        2.51473        3.92991
H          1.85186        3.54976        2.69213
H         -0.14427        2.72778       -1.02140
H          2.43335        4.76351        0.39969
H          1.92309        3.89064       -1.06297
H          5.23588        1.59235        2.51317
H          4.19803        0.92616        4.67676
H          0.68757       -2.13114        1.63556
H         -0.44588       -2.61378        3.75209
H          0.43943       -1.71412        5.89837
H          2.44465       -0.26181        5.89129
H          1.42742       -0.16968       -3.05555
H          1.28606       -2.62910       -3.42710
H          1.67846       -4.90345       -2.64082
H          2.48491       -6.46970       -0.90128
H          3.37826       -5.58271        1.24575
H          3.41061       -3.17292        1.68437
C         -3.06226        2.30869       -0.85221
C         -2.64365        0.22138        0.10861
C         -4.03528        1.33437       -1.40491
C         -3.78796        0.08650       -0.82561
C         -5.04466        1.49741       -2.32645
C         -4.54487       -1.01213       -1.16394
C         -5.81703        0.38650       -2.67479
C         -5.56971       -0.85442       -2.10033
N         -2.26745        1.57518        0.04647
O         -2.95083        3.48940       -1.09425
O         -2.11338       -0.63142        0.78443
F         -5.31151        2.66738       -2.90410
F         -6.79667        0.51073       -3.56661
F         -6.31785       -1.89742       -2.45080
F         -4.34087       -2.21760       -0.63592
64
l_tfpi_44.log
C         -1.17359        2.07819        0.79021
C         -1.14008        2.01224        2.18001
C         -0.03938        2.53789        2.85072
C          1.00518        3.11977        2.14041
C          0.96913        3.17185        0.74466
C         -0.12914        2.64837        0.06862
C          2.12942        3.74996       -0.01883
O          3.33979        2.97258        0.22604
P          3.81506        1.78707       -0.80031
C          4.32086        0.90706        2.64559
C          3.93756        0.35850        1.40939
C          2.95952       -0.61029        1.28698
C          2.22979       -0.97541        2.46412
C          2.61310       -0.42183        3.72844
C          3.68329        0.50323        3.78951
C          1.09685       -1.82587        2.42125
C          0.40331       -2.13830        3.56668
C          0.80729       -1.62386        4.81649
C          1.88807       -0.77942        4.89168
C          2.66924       -1.20646       -0.03868
C          2.35153       -0.37799       -1.10092
C          1.99647       -0.87023       -2.37047
C          1.98424       -2.22314       -2.59060
C          2.36509       -3.12387       -1.56657
C          2.73307       -2.61549       -0.27813
C          2.41211       -4.52009       -1.80164
C          2.83001       -5.38632       -0.82103
C          3.23163       -4.88450        0.43512
C          3.18458       -3.53642        0.70110
O          4.61124        0.80975        0.27503
O          2.33312        0.99030       -0.90340
H         -1.96443        1.56410        2.72602
H         -0.00223        2.49542        3.93541
H          1.86199        3.52744        2.67115
H         -0.16298        2.66044       -1.01680
H          2.36466        4.75898        0.33336
H          1.90921        3.79963       -1.09192
H          5.11681        1.64507        2.66651
H          3.97127        0.91450        4.75365
H          0.76394       -2.22064        1.46713
H         -0.47025       -2.78167        3.50608
H          0.25296       -1.88514        5.71359
H          2.19684       -0.35713        5.84505
H          1.73361       -0.16268       -3.15119
H          1.70229       -2.61933       -3.56280
H          2.12069       -4.89108       -2.78140
H          2.86698       -6.45491       -1.01331
H          3.58849       -5.57045        1.19852
H          3.50684       -3.16767        1.66929
C         -3.08308        2.27868       -0.80861
C         -2.69546        0.19473        0.17221
C         -4.08600        1.31977       -1.33352
C         -3.85583        0.07349       -0.74403
C         -5.10444        1.49356       -2.24311
C         -4.63791       -1.01373       -1.06168
C         -5.90235        0.39429       -2.57044
C         -5.67094       -0.84563       -1.98720
N         -2.28757        1.53783        0.08394
O         -2.95136        3.45409       -1.06562
O         -2.17708       -0.66064        0.85386
F         -5.35580        2.66276       -2.82912
F         -6.89063        0.52824       -3.45126
F         -6.44165       -1.87800       -2.31968
F         -4.44964       -2.21787       -0.52493
64
l_tfpi_45.log
C         -1.03800        2.21103        0.20626
C         -1.05760        2.43289        1.57955
C          0.01027        3.10719        2.16510
C          1.08176        3.53444        1.38711
C          1.10022        3.29335        0.01129
C          0.02288        2.64109       -0.58172
C          2.31462        3.64894       -0.80250
O          3.44753        2.81411       -0.41064
P          3.77407        1.39383       -1.16303
C          4.47426        1.34242        2.34945
C          3.94596        0.54408        1.31990
C          2.87667       -0.31149        1.50388
C          2.20529       -0.27694        2.76948
C          2.73252        0.53793        3.82297
C          3.89052        1.31853        3.58881
C          0.99153       -0.97073        3.00334
C          0.35515       -0.89187        4.21970
C          0.89966       -0.12312        5.26981
C          2.06333        0.57924        5.07075
C          2.43125       -1.19545        0.40062
C          2.11534       -0.64738       -0.83061
C          1.60298       -1.41366       -1.89447
C          1.43110       -2.76394       -1.73453
C          1.80654       -3.39980       -0.52631
C          2.33400       -2.61538        0.55063
C          1.69235       -4.80342       -0.37285
C          2.10520       -5.42227        0.78181
C          2.66268       -4.65695        1.82790
C          2.77421       -3.29103        1.71714
O          4.56510        0.62499        0.07244
O          2.24083        0.71380       -1.01927
H         -1.89552        2.08291        2.17543
H          0.00778        3.29147        3.23555
H          1.92303        4.04105        1.85438
H          0.02739        2.42478       -1.64624
H          2.63948        4.67421       -0.60305
H          2.11450        3.54785       -1.87599
H          5.33604        1.96748        2.13673
H          4.28943        1.92719        4.39632
H          0.54933       -1.55334        2.20258
H         -0.58141       -1.42204        4.37027
H          0.38878       -0.07670        6.22756
H          2.48226        1.19461        5.86352
H          1.34748       -0.91213       -2.82327
H          1.02526       -3.36631       -2.54337
H          1.28089       -5.38303       -1.19588
H          2.01803       -6.50003        0.88733
H          3.01418       -5.15329        2.72840
H          3.21502       -2.72014        2.52776
C         -2.32156        0.11319       -0.21062
C         -2.98643        2.03905       -1.35140
C         -3.46863       -0.23368       -1.08607
C         -3.86212        0.91753       -1.77471
C         -4.11065       -1.43393       -1.29112
C         -4.90298        0.88094       -2.67484
C         -5.16711       -1.47846       -2.20434
C         -5.55952       -0.33375       -2.88760
N         -2.10302        1.48708       -0.40962
O         -1.67857       -0.60745        0.51954
O         -3.00168        3.19382       -1.71452
F         -3.76751       -2.55211       -0.65425
F         -5.80685       -2.62354       -2.42823
F         -6.56827       -0.40396       -3.75255
F         -5.30441        1.95298       -3.35566
64
l_tfpi_46.log
C         -1.16995        2.03391        0.84637
C         -1.12819        1.94408        2.23474
C         -0.03030        2.47092        2.90899
C          1.00338        3.07800        2.20386
C          0.95888        3.15478        0.80954
C         -0.13647        2.62988        0.12990
C          2.10813        3.75989        0.05026
O          3.32599        2.98483        0.26351
P          3.79594        1.82618       -0.79543
C          4.37406        0.89350        2.62366
C          3.97230        0.36152        1.38610
C          2.99817       -0.61146        1.26612
C          2.28978       -0.99700        2.44962
C          2.69093       -0.45940        3.71528
C          3.75801        0.46958        3.77209
C          1.15987       -1.85174        2.41259
C          0.48580       -2.18303        3.56434
C          0.90766       -1.68450        4.81471
C          1.98619       -0.83672        4.88474
C          2.68934       -1.19071       -0.06285
C          2.34789       -0.34957       -1.10759
C          1.97570       -0.82632       -2.37816
C          1.96987       -2.17599       -2.61753
C          2.37341       -3.08843       -1.61272
C          2.75872       -2.59573       -0.32322
C          2.42567       -4.48086       -1.86828
C          2.86418       -5.35803       -0.90660
C          3.28229       -4.87126        0.35010
C          3.23128       -3.52737        0.63577
O          4.62104        0.83653        0.24668
O          2.32128        1.01531       -0.88992
H         -1.94401        1.47645        2.77713
H          0.01308        2.40958        3.99254
H          1.85812        3.48648        2.73736
H         -0.17556        2.66047       -0.95494
H          2.34034        4.76105        0.42599
H          1.87757        3.83547       -1.01914
H          5.16621        1.63565        2.64198
H          4.06028        0.86810        4.73720
H          0.81355       -2.23439        1.45829
H         -0.38613       -2.82905        3.50859
H          0.36862       -1.96056        5.71669
H          2.30839       -0.42669        5.83901
H          1.69473       -0.10970       -3.14416
H          1.67500       -2.56040       -3.59061
H          2.12097       -4.83998       -2.84842
H          2.90469       -6.42357       -1.11442
H          3.65518       -5.56561        1.09811
H          3.56654       -3.17028        1.60393
C         -3.08162        2.23319       -0.75051
C         -2.67874        0.14471        0.21450
C         -4.07712        1.27083       -1.28300
C         -3.83859        0.02213       -0.70207
C         -5.09678        1.44401       -2.19135
C         -4.61414       -1.06784       -1.02619
C         -5.88786        0.34188       -2.52550
C         -5.64868       -0.90023       -1.95011
N         -2.28030        1.49144        0.13633
O         -2.95975        3.41177       -0.99770
O         -2.15398       -0.71222        0.88924
F         -5.35560        2.61528       -2.76994
F         -6.87714        0.47529       -3.40528
F         -6.41349       -1.93510       -2.28840
F         -4.41856       -2.27403       -0.49673
64
l_tfpi_47.log
C         -0.90662        3.07530       -1.63031
C         -0.49727        3.71718       -2.79785
C          0.69585        4.42887       -2.78979
C          1.46509        4.49654       -1.63039
C          1.04475        3.85740       -0.46373
C         -0.15295        3.13954       -0.46635
C          1.89102        3.89070        0.77962
O          2.17371        2.54585        1.26985
P          3.02978        1.55785        0.27768
C          3.57418        0.49019        3.70682
C          3.43191       -0.00211        2.39722
C          2.82411       -1.21136        2.11096
C          2.22971       -1.93577        3.19416
C          2.37968       -1.44606        4.53206
C          3.07421       -0.23314        4.75796
C          1.45205       -3.10434        2.99371
C          0.89725       -3.77611        4.05746
C          1.08709       -3.31779        5.37822
C          1.80770       -2.17098        5.60638
C          2.75953       -1.68652        0.70968
C          2.22551       -0.85264       -0.25694
C          2.05774       -1.24622       -1.59682
C          2.45824       -2.49827       -1.98594
C          3.08041       -3.37505       -1.06417
C          3.25584       -2.96343        0.29725
C          3.55908       -4.64456       -1.47219
C          4.21405       -5.46802       -0.58935
C          4.42770       -5.04546        0.73993
C          3.96094       -3.82701        1.17321
O          3.98648        0.75500        1.37158
O          1.80464        0.41703        0.11106
H         -1.10716        3.65629       -3.69406
H          1.03031        4.92909       -3.69379
H          2.40566        5.04146       -1.63337
H         -0.48498        2.61645        0.42605
H          1.36552        4.37568        1.60764
H          2.82792        4.42883        0.59580
H          4.08587        1.43578        3.85765
H          3.18571        0.12920        5.77675
H          1.28533       -3.46609        1.98456
H          0.30038       -4.66616        3.87793
H          0.64911       -3.86433        6.20870
H          1.94191       -1.79178        6.61671
H          1.60855       -0.54645       -2.29566
H          2.32570       -2.82287       -3.01486
H          3.40838       -4.94789       -2.50552
H          4.58269       -6.43687       -0.91431
H          4.97271       -5.68722        1.42681
H          4.14344       -3.51306        2.19584
C         -2.34819        1.20041       -2.43117
C         -3.23320        2.64895       -0.82602
C         -3.72758        0.75761       -2.10960
C         -4.25675        1.62442       -1.14882
C         -4.46883       -0.29713       -2.59269
C         -5.53304        1.44842       -0.66431
C         -5.76481       -0.48258       -2.10437
C         -6.29125        0.38057       -1.15088
N         -2.12412        2.33325       -1.62999
O         -1.55421        0.71260       -3.20382
O         -3.30342        3.57541       -0.05047
F         -4.00167       -1.14736       -3.50496
F         -6.50666       -1.49281       -2.55056
F         -7.52696        0.18115       -0.70000
F         -6.07342        2.25355        0.24842
64
l_tfpi_48.log
C         -0.89063        3.10937       -1.63908
C         -0.50427        3.75899       -2.81017
C          0.69936        4.45267       -2.82726
C          1.50181        4.49463       -1.68943
C          1.10440        3.84807       -0.51884
C         -0.10406        3.14876       -0.49592
C          1.98474        3.85640        0.70118
O          2.23573        2.50498        1.18942
P          3.03653        1.48785        0.18036
C          3.68068        0.44636        3.59976
C          3.48073       -0.05745        2.30214
C          2.83683       -1.25600        2.05216
C          2.26633       -1.95499        3.16453
C          2.47510       -1.45372        4.49029
C          3.20328       -0.25392        4.67667
C          1.45733       -3.10865        3.00620
C          0.92753       -3.75642        4.09728
C          1.17471       -3.28754        5.40475
C          1.92699       -2.15393        5.59309
C          2.71274       -1.74508        0.65974
C          2.16383       -0.91001       -0.29743
C          1.94257       -1.31323       -1.62658
C          2.30269       -2.57762       -2.01520
C          2.93696       -3.45817       -1.10541
C          3.16732       -3.03674        0.24470
C          3.37491       -4.74160       -1.51563
C          4.04223       -5.56989       -0.64666
C          4.30944       -5.13891        0.67011
C          3.88322       -3.90648        1.10568
O          4.01447        0.67558        1.24854
O          1.78245        0.37231        0.07041
H         -1.13960        3.71784       -3.68966
H          1.01626        4.95830       -3.73458
H          2.45046        5.02486       -1.71305
H         -0.41907        2.62057        0.39957
H          1.49856        4.36192        1.54097
H          2.93355        4.36264        0.48978
H          4.21755        1.38223        3.72070
H          3.35900        0.11735        5.68641
H          1.24617       -3.47803        2.00819
H          0.30595       -4.63543        3.95010
H          0.75569       -3.81523        6.25692
H          2.10543       -1.76633        6.59333
H          1.48569       -0.61076       -2.31762
H          2.12891       -2.90969       -3.03557
H          3.18331       -5.05217       -2.54002
H          4.37933       -6.54950       -0.97359
H          4.86375       -5.78527        1.34512
H          4.10647       -3.58624        2.11819
C         -3.19916        2.70233       -0.77398
C         -2.38105        1.26756       -2.42636
C         -4.24649        1.69798       -1.08408
C         -3.75701        0.83938       -2.07293
C         -5.51300        1.53450       -0.57023
C         -4.52819       -0.19414       -2.55502
C         -6.30169        0.48834       -1.05579
C         -5.81443       -0.36669       -2.03710
N         -2.11792        2.38415       -1.61410
O         -3.23387        3.61706        0.01769
O         -1.61674        0.78131       -3.22927
F         -6.01736        2.33266        0.36877
F         -7.52922        0.30268       -0.57762
F         -6.58494       -1.35545       -2.48273
F         -4.09925       -1.03442       -3.49479
64
l_tfpi_49.log
C         -2.20392        1.79471        0.96379
C         -2.32672        1.37073        2.28294
C         -1.32542        1.69915        3.19301
C         -0.22348        2.44196        2.78645
C         -0.10552        2.86333        1.45961
C         -1.10366        2.53690        0.54393
C          1.14292        3.55653        0.99228
O          2.24632        2.60254        0.86893
P          2.11261        1.44656       -0.28740
C          5.42255        1.31895        1.19027
C          4.41516        0.50340        0.64545
C          4.15404       -0.77603        1.10110
C          4.87985       -1.23912        2.24602
C          5.91503       -0.41866        2.80045
C          6.17452        0.85416        2.23723
C          4.58388       -2.46720        2.89018
C          5.30164       -2.88181        3.98725
C          6.35276       -2.09363        4.50143
C          6.64556       -0.88345        3.92168
C          3.11357       -1.59573        0.43789
C          1.84003       -1.07320        0.29318
C          0.77291       -1.80543       -0.25830
C          0.99163       -3.08452       -0.70046
C          2.28728       -3.65408       -0.64826
C          3.37103       -2.89954       -0.09146
C          2.53640       -4.95088       -1.16138
C          3.80442       -5.47883       -1.15775
C          4.88036       -4.71992       -0.65005
C          4.67082       -3.46462       -0.12992
O          3.70467        1.01436       -0.43645
O          1.59156        0.21526        0.73952
H         -3.19611        0.79855        2.59209
H         -1.41283        1.37480        4.22570
H          0.56027        2.68894        3.49827
H         -1.01898        2.84155       -0.49579
H          1.49504        4.28947        1.72200
H          0.98069        4.05613        0.03003
H          5.58721        2.30326        0.76290
H          6.96382        1.46862        2.66275
H          3.77170       -3.08143        2.51582
H          5.05138       -3.82384        4.46749
H          6.91552       -2.43885        5.36420
H          7.43637       -0.25343        4.32204
H         -0.20750       -1.34082       -0.31523
H          0.17559       -3.66860       -1.11846
H          1.70179       -5.51550       -1.57018
H          3.98535       -6.47220       -1.55868
H          5.88647       -5.12942       -0.67683
H          5.51156       -2.89080        0.24613
C         -3.96528        2.40253       -0.70068
C         -3.55909        0.13404       -0.31724
C         -4.87390        1.61063       -1.56532
C         -4.63290        0.25306       -1.33397
C         -5.83374        2.01432       -2.46555
C         -5.34709       -0.71505       -2.00299
C         -6.56441        1.03690       -3.14594
C         -6.32346       -0.31258       -2.91779
N         -3.21491        1.45556        0.01849
O         -3.86862        3.60479       -0.60041
O         -3.05473       -0.86630        0.14159
F         -6.09475        3.29613       -2.71449
F         -7.50046        1.39489       -4.02076
F         -7.03228       -1.22403       -3.57842
F         -5.14914       -2.01773       -1.81134
64
l_tfpi_50.log
C         -0.88605        3.07646       -1.61617
C         -0.48542        3.71580       -2.78826
C          0.71727        4.41116       -2.79658
C          1.50491        4.46506       -1.64888
C          1.09346        3.82871       -0.47755
C         -0.11414        3.12763       -0.46356
C          1.96024        3.84464        0.75195
O          2.23774        2.49329        1.22751
P          3.05996        1.50148        0.21068
C          3.67373        0.41111        3.62068
C          3.49416       -0.07340        2.31277
C          2.86554       -1.27412        2.03567
C          2.28884       -1.99663        3.12976
C          2.47689       -1.51504        4.46582
C          3.19080       -0.31136        4.68035
C          1.49284       -3.15509        2.94313
C          0.95630       -3.82547        4.01712
C          1.18353       -3.37570        5.33488
C          1.92266       -2.23831        5.55053
C          2.76235       -1.74221        0.63436
C          2.21604       -0.89772       -0.31605
C          2.01176       -1.28330       -1.65316
C          2.38722       -2.53853       -2.05666
C          3.02003       -3.42692       -1.15348
C          3.23281       -3.02348        0.20501
C          3.47314       -4.70042       -1.57792
C          4.13845       -5.53583       -0.71423
C          4.38850       -5.12195        0.61140
C          3.94734       -3.89972        1.06055
O          4.03303        0.68216        1.27763
O          1.81897        0.37514        0.06676
H         -1.10945        3.66570       -3.67534
H          1.04470        4.90921       -3.70434
H          2.45295        4.99667       -1.66493
H         -0.43943        2.60678        0.43262
H          1.45341        4.32842        1.59217
H          2.89932        4.37473        0.55640
H          4.19983        1.35003        3.76326
H          3.33096        0.04483        5.69777
H          1.29709       -3.51001        1.93677
H          0.34485       -4.70768        3.84825
H          0.75950       -3.92110        6.17332
H          2.08557       -1.86533        6.55895
H          1.55516       -0.57501       -2.33842
H          2.22646       -2.85699       -3.08348
H          3.29465       -4.99737       -2.60870
H          4.48720       -6.50771       -1.05185
H          4.94143       -5.77351        1.28256
H          4.15755       -3.59261        2.07990
C         -3.20381        2.67180       -0.77463
C         -2.36509        1.22784       -2.40864
C         -4.24586        1.66362       -1.08975
C         -3.74423        0.79975       -2.06785
C         -5.51703        1.50028       -0.58756
C         -4.50792       -0.23890       -2.55082
C         -6.29808        0.44881       -1.07394
C         -5.79884       -0.41137       -2.04465
N         -2.11259        2.34991       -1.60048
O         -3.24877        3.59132        0.01098
O         -1.59078        0.73726       -3.19927
F         -6.03260        2.30327        0.34121
F         -7.52966        0.26268       -0.60648
F         -6.56212       -1.40545       -2.49085
F         -4.06710       -1.08476       -3.48004
64
l_tfpi_51.log
C         -0.87908        3.03750       -1.67077
C         -0.46400        3.67861       -2.83672
C          0.72481        4.39733       -2.82096
C          1.48415        4.47274       -1.65549
C          1.05804        3.83434       -0.49053
C         -0.13531        3.10939       -0.50093
C          1.89392        3.87589        0.75964
O          2.18046        2.53413        1.25578
P          3.04895        1.54761        0.27322
C          3.55919        0.48650        3.70921
C          3.43270       -0.00823        2.39892
C          2.83142       -1.21955        2.10789
C          2.22717       -1.94400        3.18562
C          2.36097       -1.45178        4.52431
C          3.04961       -0.23656        4.75592
C          1.45509       -3.11510        2.97843
C          0.89035       -3.78674        4.03700
C          1.06422       -3.32578        5.35906
C          1.77913       -2.17663        5.59338
C          2.78293       -1.69689        0.70669
C          2.25653       -0.86601       -0.26670
C          2.10342       -1.26237       -1.60754
C          2.51167       -2.51384       -1.99050
C          3.12714       -3.38723       -1.06103
C          3.28721       -2.97293        0.30147
C          3.61386       -4.65590       -1.46207
C          4.26214       -5.47600       -0.57119
C          4.46070       -5.05069        0.75958
C          3.98581       -3.83298        1.18608
O          3.99636        0.74884        1.37807
O          1.82880        0.40314        0.09486
H         -1.06621        3.61164       -3.73769
H          1.06361        4.89708       -3.72360
H          2.42147        5.02325       -1.65221
H         -0.47147        2.58674        0.39018
H          1.35888        4.36005        1.58201
H          2.82909        4.41906        0.58188
H          4.06661        1.43370        3.86427
H          3.14889        0.12766        5.77529
H          1.30072       -3.47892        1.96805
H          0.29799       -4.67873        3.85224
H          0.61859       -3.87222        6.18553
H          1.90118       -1.79554        6.60453
H          1.65900       -0.56523       -2.31205
H          2.39045       -2.84050       -3.02017
H          3.47465       -4.96120       -2.49643
H          4.63708       -6.44422       -0.89078
H          5.00047       -5.68971        1.45312
H          4.15679       -3.51696        2.21007
C         -2.30437        1.15285       -2.47820
C         -3.20929        2.60055       -0.88339
C         -3.68395        0.70357       -2.16617
C         -4.22481        1.56971       -1.21131
C         -4.41598       -0.35637       -2.65188
C         -5.50345        1.38786       -0.73535
C         -5.71436       -0.54774       -2.17229
C         -6.25226        0.31460       -1.22454
N         -2.09240        2.28865       -1.67796
O         -1.50173        0.66728       -3.24329
O         -3.29040        3.52854       -0.11074
F         -3.93782       -1.20639       -3.55867
F         -6.44748       -1.56308       -2.62133
F         -7.48996        0.10926       -0.78184
F         -6.05442        2.19210        0.17186
64
l_tfpi_52.log
C         -0.88679        3.16093       -1.70231
C         -0.46081        3.86411       -2.82751
C          0.72919        4.57825       -2.76148
C          1.47887        4.58755       -1.58747
C          1.04177        3.88679       -0.46310
C         -0.15288        3.16657       -0.52385
C          1.86267        3.86462        0.79783
O          2.08319        2.50253        1.26926
P          2.93733        1.50571        0.28379
C          3.51447        0.47676        3.71860
C          3.35826       -0.03095        2.41649
C          2.74432       -1.24173        2.15073
C          2.15845       -1.95148        3.24810
C          2.32260       -1.44603        4.57851
C          3.02257       -0.23245        4.78310
C          1.37619       -3.12048        3.06927
C          0.83015       -3.77798        4.14641
C          1.03378       -3.30416        5.45963
C          1.75923       -2.15645        5.66697
C          2.66669       -1.73347        0.75587
C          2.12710       -0.90997       -0.21646
C          1.94937       -1.31847       -1.55055
C          2.34468       -2.57575       -1.92800
C          2.97171       -3.44303       -1.00058
C          3.15769       -3.01599        0.35464
C          3.44522       -4.71805       -1.39732
C          4.10534       -5.53233       -0.50981
C          4.32944       -5.09473        0.81285
C          3.86781       -3.87056        1.23538
O          3.90435        0.71201        1.37633
O          1.71044        0.36482        0.13956
H         -1.05522        3.84861       -3.73603
H          1.07726        5.12564       -3.63244
H          2.41727        5.13469       -1.54660
H         -0.49877        2.59703        0.33413
H          1.33777        4.35528        1.62318
H          2.82239        4.37126        0.64458
H          4.03013        1.42268        3.85305
H          3.14480        0.14178        5.79636
H          1.19886       -3.49406        2.06624
H          0.22956       -4.66871        3.98348
H          0.60257       -3.83956        6.30084
H          1.90406       -1.76545        6.67132
H          1.49695       -0.62587       -2.25444
H          2.20444       -2.91183       -2.95222
H          3.28644       -5.03305       -2.42594
H          4.47002       -6.50551       -0.82620
H          4.87851       -5.72937        1.50311
H          4.05835       -3.54507        2.25292
C         -2.30463        1.31729       -2.61152
C         -3.22965        2.69826       -0.96986
C         -3.69059        0.86078       -2.34124
C         -4.24372        1.68730       -1.35849
C         -4.41896       -0.17298       -2.88550
C         -5.53103        1.49126       -0.91246
C         -5.72651       -0.37778       -2.43739
C         -6.27640        0.44468       -1.46148
N         -2.10181        2.41684       -1.76015
O         -1.49136        0.86163       -3.38374
O         -3.31946        3.59221       -0.15896
F         -3.92960       -0.98481       -3.82077
F         -6.45725       -1.36638       -2.94589
F         -7.52309        0.22796       -1.05086
F         -6.09435        2.25641        0.02051
64
l_tfpi_54.log
C         -1.42099        3.53689       -1.56123
C         -1.17315        4.72435       -2.24289
C         -0.03832        5.45887       -1.91418
C          0.83876        5.00032       -0.93730
C          0.58232        3.80647       -0.25912
C         -0.56227        3.07518       -0.56768
C          1.52807        3.35332        0.82331
O          1.43760        1.93424        1.08644
P          2.18671        0.93415        0.01668
C          4.02013        0.82825        3.13149
C          3.56961        0.00719        2.08241
C          3.13881       -1.29211        2.27888
C          3.06024       -1.77832        3.62302
C          3.52608       -0.95119        4.69601
C          4.01803        0.34628        4.41449
C          2.49285       -3.03689        3.94605
C          2.43259       -3.47156        5.24911
C          2.93390       -2.67396        6.29949
C          3.46302       -1.43646        6.02543
C          2.73915       -2.11149        1.11132
C          1.78370       -1.62166        0.23923
C          1.30580       -2.35538       -0.86107
C          1.81406       -3.60422       -1.10911
C          2.84332       -4.13836       -0.29663
C          3.33122       -3.38021        0.81703
C          3.41907       -5.40093       -0.58241
C          4.45527       -5.89034        0.17469
C          4.96663       -5.12568        1.24470
C          4.42034       -3.90376        1.55876
O          3.60654        0.53446        0.79734
O          1.23865       -0.36529        0.47254
H         -1.85049        5.05979       -3.02189
H          0.17209        6.38547       -2.44008
H          1.73427        5.57082       -0.70186
H         -0.78955        2.15300       -0.04203
H          1.27550        3.83255        1.77611
H          2.55783        3.64116        0.57440
H          4.36662        1.83109        2.90019
H          4.37244        0.96545        5.23467
H          2.09194       -3.65933        3.15283
H          1.98711       -4.43703        5.47303
H          2.88530       -3.03475        7.32304
H          3.83157       -0.80089        6.82716
H          0.53815       -1.91572       -1.49085
H          1.44859       -4.18928       -1.94922
H          3.03013       -5.96898       -1.42414
H          4.89353       -6.85714       -0.05663
H          5.80605       -5.50355        1.82200
H          4.83311       -3.32382        2.37762
C         -2.54380        1.42584       -2.28916
C         -3.89195        3.27523       -1.81901
C         -3.96065        1.03988       -2.50151
C         -4.76638        2.14786       -2.22369
C         -4.51672       -0.15506       -2.89938
C         -6.13609        2.07256       -2.33711
C         -5.90649       -0.23851       -3.01766
C         -6.70725        0.86253       -2.73857
N         -2.57986        2.77227       -1.88189
O         -1.54576        0.75700       -2.43586
O         -4.20537        4.39653       -1.48864
F         -3.78635       -1.23361       -3.17663
F         -6.47526       -1.37914       -3.39913
F         -8.02798        0.75695       -2.85924
F         -6.93775        3.10400       -2.07868
64
l_tfpi_6.log
C         -0.37305        2.64342       -1.48703
C         -0.34203        3.25638       -2.73742
C          0.72606        4.09150       -3.04527
C          1.73970        4.30956       -2.11652
C          1.69392        3.69653       -0.86404
C          0.62853        2.85672       -0.54790
C          2.78922        3.96109        0.13713
O          2.88828        2.89739        1.11028
P          3.98362        1.70036        0.87228
C          1.30228        0.66245        3.04705
C          2.18323        0.17796        2.06475
C          1.82920       -0.79616        1.14911
C          0.47762       -1.27048        1.16579
C         -0.41485       -0.81071        2.18820
C          0.02891        0.16026        3.11786
C         -0.02762       -2.17144        0.19393
C         -1.31189       -2.65577        0.27950
C         -2.16428       -2.25785        1.33113
C         -1.72975       -1.33521        2.25058
C          2.83035       -1.28783        0.17373
C          3.49721       -0.37302       -0.62381
C          4.41234       -0.75641       -1.62088
C          4.68884       -2.08629       -1.80680
C          4.09779       -3.06895       -0.97618
C          3.17217       -2.67081        0.04271
C          4.42816       -4.43944       -1.11698
C          3.89655       -5.38295       -0.27225
C          3.01981       -4.98760        0.76031
C          2.66634       -3.66805        0.91480
O          3.48353        0.68082        2.07303
O          3.23322        0.97704       -0.45453
H         -1.13870        3.07960       -3.45321
H          0.77042        4.57013       -4.01919
H          2.57825        4.95370       -2.37068
H          0.59162        2.34945        0.41073
H          2.57181        4.87008        0.71041
H          3.74873        4.11345       -0.37658
H          1.65541        1.41927        3.74057
H         -0.65834        0.51104        3.88349
H          0.61098       -2.48451       -0.62554
H         -1.67542       -3.34939       -0.47417
H         -3.17002       -2.66394        1.39516
H         -2.38794       -0.99029        3.04488
H          4.87935        0.01380       -2.22747
H          5.38568       -2.39985       -2.57994
H          5.12355       -4.72691       -1.90197
H          4.16099       -6.43056       -0.38539
H          2.62563       -5.73312        1.44550
H          2.00032       -3.38007        1.72144
C         -2.32346        1.97479       -0.07336
C         -1.80418        0.64349       -1.92058
C         -3.32229        0.88062       -0.15942
C         -3.01493        0.08922       -1.26863
C         -4.39438        0.57619        0.64856
C         -3.77150       -1.01717       -1.57986
C         -5.17519       -0.53697        0.33084
C         -4.86684       -1.32574       -0.77104
N         -1.45543        1.77504       -1.16178
O         -2.24781        2.86920        0.73878
O         -1.21121        0.23164       -2.89209
F         -4.71043        1.29280        1.72607
F         -6.21660       -0.86058        1.09381
F         -5.61603       -2.39171       -1.04205
F         -3.49812       -1.80730       -2.61656
64
l_tfpi_7.log
C         -0.47645        2.79629       -1.26167
C         -0.49495        3.43533       -2.49951
C          0.59101        4.22567       -2.85919
C          1.66934        4.37947       -1.99254
C          1.67239        3.74284       -0.75091
C          0.59304        2.94265       -0.38541
C          2.83207        3.94884        0.18952
O          2.92844        2.87975        1.15687
P          3.98170        1.65370        0.88027
C          1.31154        0.63916        3.09065
C          2.15984        0.15787        2.07830
C          1.76308       -0.78585        1.14844
C          0.40032       -1.22581        1.18132
C         -0.45867       -0.77174        2.23432
C          0.02857        0.16451        3.17790
C         -0.14761       -2.08689        0.19664
C         -1.44175       -2.54144        0.29648
C         -2.26038       -2.15408        1.37831
C         -1.78365       -1.26794        2.31273
C          2.73257       -1.28442        0.14510
C          3.41036       -0.37313       -0.64694
C          4.29758       -0.76215       -1.66683
C          4.53403       -2.09527       -1.88239
C          3.92987       -3.07723       -1.06037
C          3.03305       -2.67363       -0.01813
C          4.21939       -4.45331       -1.23301
C          3.67570       -5.39813       -0.39746
C          2.82781       -4.99892        0.65747
C          2.51410       -3.67339        0.84333
O          3.47233        0.62793        2.07145
O          3.18656        0.98004       -0.44727
H         -1.34254        3.31466       -3.16642
H          0.59622        4.72255       -3.82495
H          2.51814        4.99279       -2.28611
H          0.59345        2.41905        0.56462
H          2.69084        4.86754        0.77124
H          3.76914        4.05476       -0.37474
H          1.69733        1.37027        3.79434
H         -0.63325        0.51203        3.96714
H          0.46563       -2.39322       -0.64450
H         -1.83858       -3.20434       -0.46794
H         -3.27376       -2.53854        1.45423
H         -2.41595       -0.92964        3.13065
H          4.77562        0.00652       -2.26675
H          5.20895       -2.41298       -2.67309
H          4.89329       -4.74449       -2.03521
H          3.90866       -6.45028       -0.53513
H          2.42441       -5.74654        1.33499
H          1.87020       -3.38298        1.66689
C         -2.08758        0.92652       -1.65961
C         -2.30867        2.15792        0.31244
C         -3.25695        0.40723       -0.91044
C         -3.38443        1.13838        0.27293
C         -4.12270       -0.62257       -1.20058
C         -4.37813        0.84798        1.17988
C         -5.14154       -0.91422       -0.29125
C         -5.26808       -0.18685        0.88610
N         -1.57857        1.97938       -0.87749
O         -1.63381        0.54297       -2.71430
O         -2.08525        2.98869        1.16398
F         -4.02642       -1.35503       -2.30897
F         -5.99343       -1.90590       -0.53963
F         -6.23839       -0.49562        1.74299
F         -4.51868        1.50455        2.33047
64
l_tfpi_9.log
C         -0.42658        2.98441       -1.41107
C         -0.50018        3.79849       -2.53704
C          0.55717        4.66234       -2.80549
C          1.66150        4.70826       -1.96096
C          1.72068        3.89192       -0.82926
C          0.66689        3.02663       -0.55232
C          2.92241        3.97461        0.07811
O          2.99104        2.85366        0.98494
P          3.95943        1.58398        0.60919
C          1.63622        0.76135        3.24633
C          2.29994        0.20495        2.13900
C          1.73211       -0.75886        1.32605
C          0.37335       -1.13372        1.58230
C         -0.29907       -0.59595        2.72731
C          0.36381        0.34998        3.54605
C         -0.35173       -2.00275        0.72779
C         -1.64205       -2.37331        1.02636
C         -2.27750       -1.89480        2.19190
C         -1.62279       -1.01100        3.01461
C          2.51723       -1.33816        0.21135
C          3.09802       -0.48871       -0.71503
C          3.80322       -0.95492       -1.83923
C          3.95522       -2.30439       -2.02721
C          3.44901       -3.22646       -1.07924
C          2.73782       -2.74431        0.06757
C          3.65914       -4.61933       -1.23086
C          3.21691       -5.50644       -0.28016
C          2.55520       -5.03024        0.87165
C          2.32096       -3.68626        1.04204
O          3.60936        0.62335        1.90735
O          2.95392        0.87969       -0.54772
H         -1.36576        3.75361       -3.19045
H          0.51964        5.29964       -3.68411
H          2.48833        5.37813       -2.18617
H          0.70732        2.36785        0.30805
H          2.86128        4.86955        0.70871
H          3.84367        4.05179       -0.51698
H          2.15284        1.50195        3.84895
H         -0.15746        0.75791        4.40824
H          0.12026       -2.37626       -0.17509
H         -2.17769       -3.04154        0.35705
H         -3.28988       -2.21312        2.42613
H         -2.11239       -0.60900        3.89833
H          4.21078       -0.23131       -2.53888
H          4.48918       -2.68154       -2.89570
H          4.19134       -4.97016       -2.11189
H          3.38839       -6.57211       -0.40332
H          2.23336       -5.73273        1.63555
H          1.82048       -3.33659        1.93904
C         -2.20190        2.04976        0.07894
C         -1.90213        1.06189       -2.01576
C         -3.17631        0.94065       -0.06037
C         -2.99561        0.34764       -1.31285
C         -4.11611        0.45728        0.82028
C         -3.75422       -0.73377       -1.69889
C         -4.89437       -0.63567        0.43272
C         -4.71359       -1.22679       -0.81115
N         -1.48469        2.07194       -1.13035
O         -2.03635        2.79935        1.01514
O         -1.43417        0.84077       -3.10994
F         -4.30467        0.97843        2.03102
F         -5.80199       -1.13521        1.26811
F         -5.45625       -2.27822       -1.14917
F         -3.60797       -1.33174       -2.88011
128
l_tfpi_dimer_12.log
C          3.07580        0.05362        0.93837
C          3.95789        0.65915        1.82981
C          3.96399        0.24895        3.15955
C          3.11225       -0.76286        3.58746
C          2.23274       -1.37106        2.68899
C          2.20983       -0.95323        1.35873
C          1.25495       -2.40679        3.16730
O          0.12957       -1.78050        3.86556
H          4.63748        1.43233        1.48598
H          4.65009        0.71625        3.85975
H          3.12379       -1.08420        4.62597
H          1.51387       -1.40150        0.65538
H          1.70564       -3.06942        3.91022
H          0.87901       -3.00931        2.33360
C         -1.45534       -4.53554       -1.29716
C         -2.29473       -5.41273       -1.98057
C         -3.67033       -5.22800       -1.89699
C         -4.19687       -4.17544       -1.15096
C         -3.34887       -3.30681       -0.46420
C         -1.97033       -3.49920       -0.52908
C         -3.88197       -2.11062        0.26612
O         -3.58348       -0.93875       -0.55485
H         -1.87419       -6.22411       -2.56651
H         -4.33506       -5.90484       -2.42554
H         -5.27216       -4.02239       -1.10772
H         -1.30217       -2.82526       -0.00020
H         -3.41432       -2.00950        1.25364
H         -4.96787       -2.17241        0.38887
P         -0.89794       -0.89679        2.94164
O         -2.29182       -1.02761        3.82827
O         -0.36171        0.60475        3.48652
C         -2.36139       -0.57427        5.14051
C         -1.25708        1.65592        3.37364
C         -2.47476       -1.54856        6.14812
C         -2.37395        0.78336        5.40036
C         -2.29620        1.75345        4.28360
C         -1.03841        2.61091        2.36378
C         -2.57912       -1.15650        7.45675
H         -2.48231       -2.59630        5.86389
C         -2.40375        1.20120        6.77093
C         -3.25736        2.79627        4.09741
C         -1.90310        3.66642        2.23494
H         -0.18414        2.48985        1.70460
C         -2.53041        0.21553        7.80294
H         -2.67719       -1.89685        8.24661
C         -2.26598        2.55840        7.15757
C         -3.03911        3.77390        3.07341
C         -4.44531        2.88387        4.86643
H         -1.74119        4.41945        1.46760
C         -2.57833        0.62808        9.15722
C         -2.30127        2.92397        8.48263
H         -2.11895        3.31660        6.39593
C         -3.97511        4.82402        2.90679
C         -5.34498        3.90354        4.66332
H         -4.64935        2.12723        5.61731
C         -2.47454        1.95564        9.49377
H         -2.68653       -0.13249        9.92685
H         -2.18665        3.96987        8.75409
C         -5.10346        4.89339        3.68693
H         -3.78479        5.56848        2.13777
H         -6.25327        3.94593        5.25825
H         -2.50800        2.26141       10.53569
H         -5.81755        5.70009        3.54666
P         -3.13872        0.45780        0.17461
O         -3.78551        1.38095       -1.06754
O         -1.51888        0.62216       -0.20296
C         -3.29088        2.66895       -1.19715
C         -1.07816        0.61170       -1.51635
C         -4.09884        3.72809       -0.74556
C         -2.06168        2.86737       -1.80249
C         -1.32335        1.69828       -2.33784
C         -0.34533       -0.51314       -1.93879
C         -3.65561        5.01834       -0.87332
H         -5.06456        3.49776       -0.30521
C         -1.55115        4.20332       -1.85658
C         -0.90001        1.61369       -3.70484
C          0.10452       -0.58345       -3.23058
H         -0.14495       -1.30526       -1.22513
C         -2.37112        5.28766       -1.40284
H         -4.27412        5.84821       -0.54141
C         -0.23897        4.49876       -2.30297
C         -0.17992        0.45642       -4.14721
C         -1.20558        2.61232       -4.66378
H          0.67056       -1.44730       -3.57170
C         -1.86925        6.61094       -1.46318
C          0.22370        5.79304       -2.33424
H          0.40592        3.68473       -2.61558
C          0.24064        0.36906       -5.49662
C         -0.78397        2.49623       -5.96810
H         -1.78766        3.47723       -4.36415
C         -0.60022        6.86250       -1.92383
H         -2.50766        7.42321       -1.12376
H          1.23532        5.99687       -2.67302
C         -0.04534        1.37161       -6.39131
H          0.78839       -0.51703       -5.81095
H         -1.03352        3.27525       -6.68328
H         -0.22212        7.88025       -1.96057
H          0.28230        1.29531       -7.42434
N         -0.04115       -4.66806       -1.40820
C          0.65792       -4.54043       -2.62446
C          0.82427       -4.77253       -0.30735
C          2.09376       -4.57845       -2.25870
O          0.15407       -4.40362       -3.71650
C          2.19249       -4.70108       -0.86942
O          0.48295       -4.89719        0.84893
C          3.22133       -4.44850       -3.03649
C          3.41726       -4.68294       -0.24337
C          4.46833       -4.43983       -2.40811
F          3.17164       -4.31482       -4.36083
C          4.56527       -4.55223       -1.02732
F          3.54958       -4.75780        1.08076
F          5.57681       -4.29819       -3.13095
F          5.76415       -4.51062       -0.45133
N          3.07610        0.45315       -0.42845
C          2.99751        1.79174       -0.86490
C          3.23914       -0.44188       -1.50024
C          3.13215        1.73409       -2.34019
O          2.83613        2.75841       -0.15520
C          3.26585        0.39627       -2.71974
O          3.35431       -1.64466       -1.40817
C          3.12522        2.73507       -3.28634
C          3.38003        0.04196       -4.04428
C          3.22996        2.38303       -4.63391
F          3.02208        4.02460       -2.96977
C          3.36074        1.05111       -5.00909
F          3.48508       -1.22527       -4.44248
F          3.20042        3.32478       -5.57320
F          3.45775        0.74310       -6.29925
128
l_tfpi_dimer_14.log
C          4.52240       -1.61889        2.47167
C          5.14353       -2.41766        3.42803
C          4.36762       -3.32924        4.13934
C          3.00483       -3.45481        3.88543
C          2.39628       -2.65600        2.91624
C          3.16069       -1.73084        2.21289
C          0.92093       -2.77631        2.63794
O          0.69407       -2.31631        1.28956
H          6.21021       -2.33477        3.60782
H          4.83831       -3.96183        4.88623
H          2.41507       -4.18750        4.43129
H          2.69605       -1.10018        1.46558
H          0.34839       -2.16625        3.35157
H          0.59047       -3.81703        2.73565
C         -2.03809       -4.77270       -0.92016
C         -2.57318       -5.97699       -0.46411
C         -3.95219       -6.09131       -0.32205
C         -4.78987       -5.02685       -0.64463
C         -4.25164       -3.83075       -1.12117
C         -2.86969       -3.70797       -1.25413
C         -5.13699       -2.66939       -1.47805
O         -5.25997       -1.71149       -0.37833
H         -1.92302       -6.81214       -0.22812
H         -4.37480       -7.02603        0.03445
H         -5.86690       -5.12746       -0.53680
H         -2.44511       -2.77824       -1.61429
H         -6.15877       -3.00449       -1.67307
H         -4.76315       -2.16295       -2.37725
P         -0.73543       -1.64344        0.83707
O         -0.77991       -0.19667        1.65593
O         -0.05291       -1.17737       -0.62729
C          0.30606        0.67164        1.63066
C         -0.52672       -0.03705       -1.25841
C          1.00539        0.86238        2.83559
C          0.61893        1.34381        0.46580
C         -0.25026        1.21005       -0.72731
C         -1.22526       -0.20480       -2.46870
C          2.07924        1.71315        2.86548
H          0.67613        0.33081        3.72350
C          1.79644        2.16041        0.46187
C         -0.84985        2.35341       -1.34966
C         -1.73383        0.88917       -3.11593
H         -1.34666       -1.20608       -2.86931
C          2.51442        2.36285        1.68521
H          2.62447        1.87831        3.79138
C          2.30251        2.76003       -0.71903
C         -1.59631        2.18329       -2.55973
C         -0.77245        3.65353       -0.78956
H         -2.27956        0.77039       -4.04839
C          3.65854        3.19895        1.68910
C          3.42457        3.55465       -0.68309
H          1.79934        2.57987       -1.66356
C         -2.20350        3.30857       -3.16798
C         -1.37758        4.72523       -1.40355
H         -0.24380        3.79980        0.14669
C          4.09889        3.79545        0.53274
H          4.18449        3.35378        2.62858
H          3.79743        3.99963       -1.60197
C         -2.09619        4.55725       -2.60534
H         -2.76782        3.16017       -4.08558
H         -1.31355        5.71017       -0.94894
H          4.97662        4.43583        0.54681
H         -2.57172        5.41363       -3.07505
P         -4.12725       -0.51983       -0.30522
O         -4.77146        0.08897        1.11328
O         -4.68794        0.62031       -1.39368
C         -4.44616        1.41574        1.37398
C         -5.95797        1.15964       -1.25521
C         -3.45418        1.67779        2.33534
C         -5.13016        2.41756        0.70894
C         -6.21607        2.05126       -0.22976
C         -6.92282        0.79942       -2.21304
C         -3.11863        2.97571        2.62171
H         -2.97369        0.84151        2.83184
C         -4.73154        3.77185        0.94091
C         -7.55124        2.54846       -0.09099
C         -8.18567        1.32536       -2.13064
H         -6.64196        0.11222       -3.00565
C         -3.73041        4.04793        1.92821
H         -2.36135        3.19535        3.37015
C         -5.25807        4.85810        0.19744
C         -8.53673        2.19334       -1.06835
C         -7.95658        3.34817        1.00760
H         -8.93951        1.06332       -2.86871
C         -3.34738        5.39009        2.17094
C         -4.85323        6.14799        0.44793
H         -5.98252        4.66288       -0.58655
C         -9.85523        2.69538       -0.94000
C         -9.24888        3.80642        1.11023
H         -7.23684        3.59078        1.78240
C         -3.90170        6.42197        1.45330
H         -2.59326        5.58474        2.92984
H         -5.26476        6.96417       -0.13961
C        -10.20609        3.49150        0.12283
H        -10.58853        2.42509       -1.69610
H         -9.53788        4.41169        1.96513
H         -3.59691        7.44722        1.64386
H        -11.22146        3.86681        0.21462
N         -0.62783       -4.61560       -1.04271
C          0.01110       -4.03451       -2.15923
C          0.30243       -5.01989       -0.06091
C          1.45571       -4.04037       -1.83936
O         -0.53798       -3.64225       -3.16445
C          1.63184       -4.64744       -0.59435
O          0.03204       -5.54888        0.99415
C          2.53149       -3.55049       -2.54612
C          2.88572       -4.76844       -0.03895
C          3.80642       -3.67248       -1.99047
F          2.40321       -2.95918       -3.73295
C          3.98048       -4.27182       -0.74884
F          3.09621       -5.34038        1.14581
F          4.86616       -3.21348       -2.64843
F          5.20463       -4.36834       -0.23692
N          5.27139       -0.65605        1.73686
C          6.09766        0.31864        2.33002
C          5.16050       -0.47495        0.34515
C          6.57747        1.16596        1.21206
O          6.32514        0.43018        3.51341
C          6.00128        0.70127        0.02720
O          4.50751       -1.16024       -0.41125
C          7.39074        2.27601        1.21366
C          6.21556        1.35157       -1.16653
C          7.62341        2.93407        0.00366
F          7.95113        2.75746        2.32185
C          7.04083        2.47863       -1.17295
F          5.65975        0.95923       -2.31091
F          8.39564        4.01727       -0.02701
F          7.26536        3.13325       -2.30920
128
l_tfpi_dimer_15.log
C          4.28581       -1.64443        1.97063
C          5.18921       -2.57538        2.48380
C          4.73844       -3.49939        3.41881
C          3.40443       -3.51126        3.81659
C          2.50390       -2.58876        3.28362
C          2.95293       -1.63840        2.36753
C          1.05137       -2.64782        3.67384
O          0.50750       -1.31066        3.75687
H          6.22332       -2.57728        2.15643
H          5.43456       -4.22220        3.83430
H          3.06070       -4.24281        4.54393
H          2.26673       -0.90373        1.96437
H          0.93896       -3.11932        4.65590
H          0.48983       -3.25222        2.94550
C         -1.94327       -4.13786       -0.90140
C         -2.75186       -4.71624       -1.87627
C         -4.12546       -4.78528       -1.66070
C         -4.68081       -4.29099       -0.48532
C         -3.86451       -3.71467        0.49129
C         -2.48922       -3.63891        0.27865
C         -4.46016       -3.11560        1.73461
O         -5.05017       -1.80033        1.47937
H         -2.31211       -5.11104       -2.78640
H         -4.76231       -5.23786       -2.41507
H         -5.75399       -4.34975       -0.32095
H         -1.84673       -3.17992        1.02459
H         -3.70588       -3.02863        2.52497
H         -5.29404       -3.71827        2.10289
P         -0.80176       -0.87930        2.86652
O         -0.80640        0.72819        3.25687
O         -0.02946       -0.81736        1.36123
C          0.39215        1.43474        3.13035
C         -0.35479        0.16921        0.44813
C          1.09129        1.73400        4.31231
C          0.83461        1.80594        1.87645
C          0.02389        1.48089        0.68017
C         -1.01596       -0.22373       -0.72964
C          2.29311        2.38689        4.23563
H          0.66780        1.42886        5.26393
C          2.11661        2.44022        1.78046
C         -0.39038        2.47973       -0.25712
C         -1.34301        0.71131       -1.67490
H         -1.27062       -1.26979       -0.85868
C          2.84504        2.73428        2.97858
H          2.84917        2.62292        5.13924
C          2.72610        2.74507        0.53697
C         -1.06589        2.08181       -1.45592
C         -0.18976        3.86519       -0.03099
H         -1.85180        0.41262       -2.58781
C          4.11507        3.35475        2.88695
C          3.96020        3.34959        0.48379
H          2.21375        2.49010       -0.38475
C         -1.45686        3.06820       -2.39478
C         -0.59273        4.79831       -0.95708
H          0.27969        4.19084        0.89187
C          4.66177        3.66551        1.66542
H          4.65225        3.57429        3.80654
H          4.40687        3.57210       -0.48186
C         -1.21915        4.40003       -2.15722
H         -1.96090        2.74756       -3.30350
H         -0.43726        5.85519       -0.75778
H          5.63700        4.14104        1.60560
H         -1.52921        5.14933       -2.88009
P         -4.02396       -0.60207        1.02104
O         -4.92997        0.58537        1.78086
O         -4.46228       -0.29847       -0.56175
C         -4.71090        1.87264        1.30730
C         -5.76225        0.05880       -0.88484
C         -3.88388        2.72483        2.06049
C         -5.33885        2.27106        0.14104
C         -6.23419        1.31678       -0.55272
C         -6.53286       -0.88007       -1.59428
C         -3.67513        4.01070        1.63252
H         -3.43294        2.34659        2.97297
C         -5.06225        3.58310       -0.35706
C         -7.59961        1.62384       -0.85454
C         -7.81844       -0.56818       -1.95197
H         -6.08564       -1.83632       -1.84896
C         -4.24382        4.46728        0.41902
H         -3.04942        4.68738        2.20895
C         -5.53093        4.03637       -1.61621
C         -8.38920        0.67271       -1.57887
C         -8.22559        2.82029       -0.42150
H         -8.42249       -1.28072       -2.50797
C         -3.99179        5.77697       -0.05798
C         -5.25304        5.30877       -2.05727
H         -6.11056        3.36399       -2.24049
C         -9.73711        0.97976       -1.88817
C         -9.54102        3.08084       -0.72544
H         -7.65937        3.53357        0.16830
C         -4.49257        6.19589       -1.26623
H         -3.37772        6.43928        0.54753
H         -5.61817        5.63237       -3.02815
C        -10.30312        2.16187       -1.47727
H        -10.31888        0.25149       -2.44831
H        -10.00084        4.00132       -0.37615
H         -4.28805        7.20066       -1.62541
H        -11.33936        2.38520       -1.71515
N         -0.53978       -4.03192       -1.11678
C          0.03374       -3.43174       -2.25657
C          0.43626       -4.46172       -0.19797
C          1.49816       -3.49569       -2.04215
O         -0.57662       -2.96211       -3.19012
C          1.73879       -4.11579       -0.81291
O          0.21895       -5.00245        0.86400
C          2.53861       -3.03508       -2.81581
C          3.02306       -4.29794       -0.35291
C          3.84362       -3.20888       -2.35078
F          2.35354       -2.41430       -3.97933
C          4.08387       -3.83368       -1.13403
F          3.29344       -4.89087        0.80723
F          4.86986       -2.74585       -3.06175
F          5.33692       -3.96658       -0.70375
N          4.72534       -0.70387        0.99511
C          5.92778        0.02728        1.07993
C          4.04629       -0.45465       -0.21372
C          6.04141        0.75631       -0.20619
O          6.68278        0.04357        2.02556
C          4.92040        0.45756       -0.98258
O          2.97179       -0.91172       -0.53551
C          7.00219        1.62844       -0.66498
C          4.75044        1.01108       -2.23064
C          6.83968        2.19443       -1.93224
F          8.07809        1.95583        0.04839
C          5.72806        1.88660       -2.70851
F          3.69284        0.74639       -2.99616
F          7.75431        3.03567       -2.40822
F          5.59939        2.43786       -3.91242
128
l_tfpi_dimer_2.log
C          2.75841       -0.23938        1.65445
C          3.38156        0.27617        2.78800
C          3.11154       -0.29516        4.02797
C          2.23550       -1.36913        4.13143
C          1.61183       -1.88257        2.99201
C          1.87711       -1.31356        1.74678
C          0.57207       -2.96055        3.11714
O         -0.68025       -2.41167        3.65183
H          4.07547        1.10607        2.69885
H          3.59700        0.09972        4.91552
H          2.02152       -1.80781        5.10292
H          1.39043       -1.69868        0.85625
H          0.86697       -3.72432        3.84065
H          0.37863       -3.43771        2.15022
C         -0.82759       -4.28057       -0.59434
C         -1.07942       -5.30407        0.31472
C         -2.22989       -5.23470        1.09658
C         -3.11216       -4.16751        0.96827
C         -2.85784       -3.15418        0.04014
C         -1.71234       -3.21464       -0.74308
C         -3.82571       -2.00915       -0.09500
O         -3.26477       -0.93340       -0.87892
H         -0.38856       -6.13406        0.41609
H         -2.43316       -6.02065        1.81812
H         -3.99942       -4.11636        1.59508
H         -1.50114       -2.42594       -1.45363
H         -4.12879       -1.65031        0.89787
H         -4.73116       -2.33747       -0.62042
P         -1.40101       -1.26020        2.73115
O         -2.97208       -1.40165        3.24672
O         -0.92411        0.04810        3.67882
C         -3.37399       -1.07449        4.53454
C         -1.66000        1.20229        3.45744
C         -3.83663       -2.13088        5.33981
C         -3.37852        0.24575        4.94983
C         -2.91128        1.31601        4.03809
C         -1.08461        2.21744        2.67279
C         -4.29622       -1.86750        6.60311
H         -3.82557       -3.13844        4.93516
C         -3.78189        0.52010        6.29753
C         -3.69647        2.46764        3.71566
C         -1.79525        3.36360        2.42982
H         -0.08490        2.06766        2.27490
C         -4.26768       -0.54912        7.11822
H         -4.66696       -2.67241        7.23267
C         -3.67800        1.81032        6.87676
C         -3.11700        3.50769        2.91805
C         -5.04873        2.60573        4.11831
H         -1.36084        4.16524        1.83739
C         -4.68534       -0.27526        8.44377
C         -4.07765        2.03959        8.17235
H         -3.26563        2.62490        6.29094
C         -3.88655        4.65684        2.61173
C         -5.77442        3.72510        3.78538
H         -5.51614        1.80874        4.68778
C         -4.60124        0.99403        8.96156
H         -5.06260       -1.09697        9.04796
H         -3.98135        3.03601        8.59490
C         -5.18749        4.76864        3.03816
H         -3.42701        5.44311        2.01737
H         -6.81230        3.80517        4.09699
H         -4.91967        1.19259        9.98108
H         -5.77089        5.65139        2.79166
P         -2.96451        0.50511       -0.15453
O         -3.44190        1.37659       -1.50699
O         -1.31487        0.70908       -0.29974
C         -3.01055        2.69489       -1.52923
C         -0.67018        0.76344       -1.52392
C         -3.93290        3.69468       -1.17137
C         -1.71420        2.97402       -1.92467
C         -0.83560        1.86050       -2.35300
C          0.19919       -0.29882       -1.83462
C         -3.54204        5.00809       -1.18077
H         -4.94069        3.40123       -0.89269
C         -1.27305        4.33416       -1.85856
C         -0.17334        1.84678       -3.62427
C          0.87986       -0.29293       -3.02276
H          0.32269       -1.10337       -1.11716
C         -2.20834        5.35909       -1.50016
H         -4.24512        5.79317       -0.91442
C          0.07452        4.70802       -2.08558
C          0.70015        0.75914       -3.95057
C         -0.37468        2.85206       -4.60354
H          1.56001       -1.10369       -3.27122
C         -1.77310        6.70579       -1.44021
C          0.46816        6.02280       -2.00569
H          0.80101        3.93789       -2.31942
C          1.37455        0.75161       -5.19573
C          0.28992        2.81217       -5.80735
H         -1.06945        3.66065       -4.40271
C         -0.46393        7.03508       -1.69352
H         -2.49708        7.47304       -1.17636
H          1.50796        6.28580       -2.17875
C          1.18416        1.76268       -6.10587
H          2.04010       -0.08005       -5.41836
H          0.11588        3.59425       -6.54131
H         -0.13913        8.07035       -1.63986
H          1.70541        1.74925       -7.05896
N          0.36823       -4.28678       -1.36729
C          0.41752       -4.01076       -2.74835
C          1.65495       -4.47627       -0.82204
C          1.85662       -4.01018       -3.10168
O         -0.53646       -3.82585       -3.46998
C          2.59481       -4.30716       -1.95386
O          1.90469       -4.70637        0.34012
C          2.48489       -3.71612       -4.29099
C          3.97057       -4.31600       -1.98146
C          3.88094       -3.72160       -4.32573
F          1.81681       -3.40191       -5.40039
C          4.61496       -4.02155       -3.18429
F          4.71046       -4.57595       -0.90722
F          4.52164       -3.42087       -5.45300
F          5.94453       -4.00280       -3.24074
N          3.03711        0.33799        0.38182
C          2.94938        1.71774        0.10744
C          3.51297       -0.39020       -0.72211
C          3.42817        1.87484       -1.28629
O          2.54234        2.56629        0.86862
C          3.75124        0.61168       -1.78790
O          3.69536       -1.58759       -0.75646
C          3.55457        2.99836       -2.07277
C          4.18477        0.45552       -3.08462
C          3.98050        2.84591       -3.39418
F          3.28875        4.22395       -1.62502
C          4.29525        1.58771       -3.89430
F          4.47710       -0.73608       -3.60690
F          4.08481        3.90847       -4.18778
F          4.69947        1.46919       -5.15593
128
l_tfpi_dimer_3.log
C          2.92424       -0.68933        0.70033
C          4.07718       -1.29222        1.19789
C          3.96780       -2.13553        2.29832
C          2.72996       -2.36327        2.89212
C          1.58069       -1.74974        2.39076
C          1.67963       -0.91443        1.27936
C          0.26731       -1.96106        3.09054
O         -0.82841       -1.95269        2.13521
H          5.04022       -1.09800        0.73606
H          4.85601       -2.62023        2.69361
H          2.65343       -3.02672        3.75006
H          0.79889       -0.43621        0.86454
H          0.11856       -1.18150        3.84708
H          0.24887       -2.93572        3.58732
C         -1.64718       -4.48072       -0.15826
C         -2.32058       -5.60311        0.31173
C         -3.70540       -5.54213        0.44762
C         -4.39890       -4.38744        0.10451
C         -3.71158       -3.26622       -0.36964
C         -2.32911       -3.31479       -0.49636
C         -4.48372       -2.01413       -0.68327
O         -3.67196       -1.07265       -1.41699
H         -1.77511       -6.50797        0.55946
H         -4.24629       -6.41027        0.81282
H         -5.48129       -4.35353        0.20667
H         -1.78233       -2.44858       -0.84809
H         -4.84658       -1.55725        0.24988
H         -5.35941       -2.25167       -1.29914
P         -2.04328       -0.88293        2.05901
O         -2.92833       -1.04841        3.46820
O         -1.14670        0.48022        2.47157
C         -2.41089       -0.74926        4.71990
C         -1.88794        1.59575        2.83831
C         -2.22539       -1.82623        5.60698
C         -2.14551        0.56292        5.06897
C         -2.42792        1.65555        4.11004
C         -2.02417        2.63635        1.90115
C         -1.72474       -1.59204        6.86031
H         -2.48362       -2.82720        5.27388
C         -1.54637        0.80821        6.34695
C         -3.25934        2.77428        4.43544
C         -2.75783        3.74635        2.22937
H         -1.54332        2.53581        0.93341
C         -1.35541       -0.28314        7.25497
H         -1.58376       -2.41323        7.55847
C         -1.08608        2.09097        6.73832
C         -3.40919        3.83507        3.48379
C         -3.98197        2.85791        5.65219
H         -2.86575        4.56202        1.51848
C         -0.77733       -0.03893        8.52487
C         -0.51421        2.29117        7.97271
H         -1.17663        2.92242        6.04723
C         -4.22321        4.94802        3.80807
C         -4.77516        3.94632        5.92955
H         -3.91492        2.04483        6.36798
C         -0.37064        1.22316        8.88310
H         -0.65168       -0.87682        9.20649
H         -0.16258        3.28206        8.24681
C         -4.88897        5.00878        5.00808
H         -4.31837        5.74994        3.07976
H         -5.32551        3.98550        6.86563
H          0.07595        1.39930        9.85767
H         -5.51399        5.86515        5.24515
P         -3.55553        0.45920       -0.85141
O         -3.94535        1.16954       -2.32303
O         -1.91038        0.74047       -0.88095
C         -3.60832        2.51482       -2.39065
C         -1.16615        0.75903       -2.05008
C         -4.62074        3.46219       -2.15342
C         -2.30507        2.86382       -2.69801
C         -1.32227        1.78697       -2.96664
C         -0.21818       -0.26818       -2.21211
C         -4.32004        4.79800       -2.20500
H         -5.62480        3.11093       -1.93463
C         -1.96775        4.25544       -2.69388
C         -0.55429        1.72563       -4.17531
C          0.55831       -0.30456       -3.33981
H         -0.12181       -1.01666       -1.43191
C         -2.99483        5.22683       -2.45746
H         -5.09172        5.54356       -2.03122
C         -0.64062        4.71833       -2.86904
C          0.39812        0.67010       -4.35298
C         -0.73067        2.64670       -5.23912
H          1.28811       -1.09872       -3.47789
C         -2.66234        6.60382       -2.45650
C         -0.34770        6.06123       -2.84756
H          0.15157        3.99430       -3.01994
C          1.16403        0.61350       -5.54303
C          0.02684        2.56218       -6.38393
H         -1.48114        3.42519       -5.15127
C         -1.36710        7.01654       -2.65217
H         -3.45570        7.32768       -2.28618
H          0.67945        6.39079       -2.97654
C          0.99240        1.54535       -6.53744
H          1.88429       -0.19348       -5.65597
H         -0.12965        3.28003       -7.18443
H         -1.12191        8.07482       -2.64456
H          1.58438        1.49262       -7.44682
N         -0.23099       -4.50870       -0.30141
C          0.43825       -4.17181       -1.49384
C          0.66222       -4.86850        0.72477
C          1.88136       -4.31700       -1.19394
O         -0.08925       -3.84896       -2.53485
C          2.01504       -4.74878        0.12937
O          0.35788       -5.19437        1.85062
C          2.98762       -4.09712       -1.98255
C          3.25848       -4.95864        0.67864
C          4.25374       -4.29453       -1.42579
F          2.90015       -3.69596       -3.24830
C          4.38649       -4.72096       -0.11090
F          3.43319       -5.37790        1.93105
F          5.34445       -4.06598       -2.15079
F          5.60361       -4.89006        0.40238
N          3.01831        0.20631       -0.40400
C          2.60188        1.55103       -0.34917
C          3.58385       -0.12346       -1.64625
C          2.93386        2.11990       -1.67611
O          2.08902        2.09472        0.60252
C          3.50766        1.11433       -2.45881
O          4.03189       -1.20599       -1.95549
C          2.75429        3.38931       -2.17568
C          3.88458        1.36201       -3.75896
C          3.12238        3.64498       -3.49932
F          2.24391        4.38157       -1.44916
C          3.67939        2.64131       -4.28247
F          4.42879        0.43164       -4.54114
F          2.94205        4.85632       -4.01973
F          4.01928        2.90864       -5.54031
128
l_tfpi_dimer_5.log
C          4.04184       -1.02398        1.85939
C          4.99460       -1.95160        2.26546
C          4.57461       -3.05117        3.00996
C          3.22972       -3.22476        3.31835
C          2.28017       -2.28869        2.89867
C          2.69623       -1.17302        2.17985
C          0.82430       -2.52411        3.21232
O          0.05026       -1.32405        3.02512
H          6.03880       -1.82106        1.99910
H          5.30461       -3.78371        3.34181
H          2.91250       -4.09483        3.88911
H          1.97940       -0.42834        1.85714
H          0.70752       -2.82568        4.25960
H          0.43453       -3.34179        2.58699
C         -2.09522       -5.11979       -0.95051
C         -2.13344       -6.42101       -0.45817
C         -3.34229       -6.92346        0.01047
C         -4.48768       -6.13519       -0.01143
C         -4.44493       -4.83373       -0.51689
C         -3.23754       -4.32482       -0.99418
C         -5.71420       -4.01799       -0.53725
O         -5.49599       -2.58775       -0.50144
H         -1.23208       -7.02527       -0.44004
H         -3.38678       -7.93406        0.40559
H         -5.42413       -6.52952        0.37566
H         -3.17267       -3.31277       -1.38238
H         -6.36585       -4.31969        0.29190
H         -6.26172       -4.18980       -1.47088
P         -1.06540       -1.22567        1.82136
O         -1.63665        0.28246        2.17911
O         -0.00822       -0.84358        0.56024
C         -0.70922        1.29802        2.40908
C         -0.30505        0.11476       -0.38493
C         -0.51610        1.69906        3.74225
C         -0.04174        1.87337        1.34491
C         -0.35025        1.45592       -0.04142
C         -0.47059       -0.32354       -1.71150
C          0.39963        2.67690        4.02726
H         -1.10053        1.21963        4.52137
C          0.97447        2.84063        1.63958
C         -0.70176        2.40052       -1.06077
C         -0.70559        0.58059       -2.71163
H         -0.39741       -1.38556       -1.91298
C          1.18115        3.25254        2.99604
H          0.55571        3.00259        5.05253
C          1.82519        3.38060        0.64200
C         -0.85207        1.95634       -2.41358
C         -0.94599        3.76838       -0.77850
H         -0.82433        0.24495       -3.73900
C          2.18148        4.21218        3.28760
C          2.79090        4.30655        0.95973
H          1.71667        3.05214       -0.38621
C         -1.19026        2.89202       -3.42163
C         -1.29499        4.64823       -1.77634
H         -0.87055        4.11862        0.24527
C          2.96880        4.73628        2.29106
H          2.31986        4.51791        4.32194
H          3.43029        4.70389        0.17607
C         -1.40586        4.21363       -3.11380
H         -1.29522        2.53639       -4.44403
H         -1.49224        5.68816       -1.53029
H          3.73509        5.46994        2.52557
H         -1.67721        4.92093       -3.89246
P         -4.71033       -1.95518        0.79571
O         -5.92151       -0.86335        1.20083
O         -3.67485       -0.90251        0.02976
C         -5.47043        0.19388        1.98562
C         -4.16376        0.15213       -0.73110
C         -5.68303        0.12875        3.37447
C         -4.84411        1.26406        1.37132
C         -4.71271        1.25717       -0.10355
C         -4.02210        0.05747       -2.12636
C         -5.24177        1.15199        4.17350
H         -6.19696       -0.73486        3.78606
C         -4.31957        2.30241        2.20264
C         -5.20678        2.31919       -0.92758
C         -4.43193        1.09719       -2.91877
H         -3.57226       -0.83642       -2.54634
C         -4.53963        2.24822        3.61703
H         -5.40544        1.12064        5.24770
C         -3.53381        3.36253        1.68756
C         -5.03360        2.24385       -2.34786
C         -5.90789        3.43341       -0.40007
H         -4.31125        1.04678       -3.99797
C         -4.02197        3.27936        4.43963
C         -3.03337        4.34003        2.51458
H         -3.31659        3.39270        0.62535
C         -5.49494        3.30681       -3.16293
C         -6.35630        4.44151       -1.22053
H         -6.09890        3.48579        0.66645
C         -3.28886        4.30914        3.90184
H         -4.20538        3.22955        5.51038
H         -2.42545        5.13882        2.09766
C         -6.13491        4.39036       -2.61316
H         -5.34048        3.23943       -4.23729
H         -6.89393        5.28310       -0.79232
H         -2.88944        5.09030        4.54270
H         -6.48781        5.19880       -3.24732
N         -0.85501       -4.58379       -1.40396
C         -0.63828       -4.07381       -2.69785
C          0.29780       -4.50557       -0.60157
C          0.77707       -3.62795       -2.71358
O         -1.46016       -4.02566       -3.58522
C          1.33776       -3.89355       -1.46024
O          0.38022       -4.86055        0.55385
C          1.50936       -2.99253       -3.69092
C          2.63942       -3.54732       -1.17901
C          2.82957       -2.63072       -3.40914
F          1.00728       -2.69645       -4.88876
C          3.39003       -2.90952       -2.16936
F          3.20941       -3.78663       -0.00104
F          3.55950       -2.00716       -4.33072
F          4.64992       -2.56052       -1.92767
N          4.42633        0.09657        1.06567
C          5.38655        1.05148        1.44360
C          3.87620        0.36777       -0.19961
C          5.45434        2.01139        0.31322
O          6.00207        1.06304        2.48567
C          4.54932        1.60053       -0.66874
O          3.03728       -0.29820       -0.76622
C          6.19852        3.15750        0.14845
C          4.37748        2.32676       -1.82487
C          6.03833        3.89477       -1.02767
F          7.06044        3.59690        1.06409
C          5.13877        3.48388       -2.00438
F          3.51091        1.97488       -2.77368
F          6.74372        5.00722       -1.21782
F          5.00100        4.20877       -3.11167
128
l_tfpi_dimer_8.log
C          4.25615       -1.27243        1.97171
C          4.59295       -1.97213        3.12833
C          3.84936       -1.75826        4.28471
C          2.77581       -0.87797        4.28008
C          2.43789       -0.18516        3.11398
C          3.18887       -0.37225        1.95796
C          1.25066        0.74240        3.15176
O          1.09428        1.49349        1.93264
H          5.42103       -2.67125        3.12844
H          4.10649       -2.29789        5.19156
H          2.19221       -0.72590        5.18537
H          2.95141        0.17928        1.05653
H          1.36780        1.47819        3.95559
H          0.34074        0.16415        3.37631
C          0.37214       -3.14598       -2.28557
C          0.84799       -2.38557       -3.35259
C         -0.06264       -1.80374       -4.22933
C         -1.42972       -1.94606       -4.02321
C         -1.90132       -2.68599       -2.93646
C         -0.99652       -3.30908       -2.07971
C         -3.37383       -2.73459       -2.63982
O         -3.86684       -1.44817       -2.15113
H          1.91342       -2.24579       -3.49120
H          0.30427       -1.22100       -5.06945
H         -2.13758       -1.46733       -4.69565
H         -1.35923       -3.89726       -1.24280
H         -3.60392       -3.51254       -1.90329
H         -3.95646       -2.92072       -3.54610
P         -0.07898        0.96880        0.89995
O         -1.42477        1.82207        1.37867
O          0.47018        1.96865       -0.32206
C         -1.35642        3.20211        1.50519
C         -0.46309        2.36243       -1.27283
C         -1.35524        3.73011        2.80810
C         -1.32335        3.99557        0.37336
C         -1.36946        3.36081       -0.96376
C         -0.40045        1.75652       -2.54025
C         -1.30785        5.08746        2.98778
H         -1.40251        3.04464        3.64854
C         -1.19125        5.41060        0.55032
C         -2.33934        3.71747       -1.95256
C         -1.26855        2.15574       -3.52329
H          0.34688        0.98809       -2.71590
C         -1.21006        5.95725        1.87482
H         -1.32084        5.51017        3.98929
C         -0.99319        6.30039       -0.53587
C         -2.26000        3.13003       -3.25630
C         -3.41010        4.60648       -1.68334
H         -1.21713        1.71293       -4.51493
C         -1.09685        7.35832        2.05108
C         -0.86989        7.65417       -0.32898
H         -0.92711        5.90338       -1.54333
C         -3.19435        3.51473       -4.24879
C         -4.31151        4.94627       -2.66478
H         -3.52089        5.01717       -0.68476
C         -0.93763        8.19408        0.97275
H         -1.12546        7.75641        3.06258
H         -0.71106        8.31457       -1.17713
C         -4.19432        4.41336       -3.96569
H         -3.11185        3.07074       -5.23823
H         -5.12847        5.62417       -2.43279
H         -0.84618        9.26668        1.11918
H         -4.90841        4.69878       -4.73322
P         -3.05514       -0.68636       -0.94192
O         -4.09076       -1.17685        0.30083
O         -3.61796        0.84890       -1.16801
C         -4.06644       -0.37021        1.42801
C         -4.96177        1.16534       -1.04028
C         -3.36647       -0.82666        2.55984
C         -4.75558        0.83031        1.40843
C         -5.55117        1.18633        0.21107
C         -5.64939        1.51606       -2.21530
C         -3.34273       -0.05862        3.69499
H         -2.86394       -1.78845        2.51026
C         -4.65093        1.68374        2.55087
C         -6.94908        1.49271        0.28628
C         -6.96619        1.88636       -2.14358
H         -5.11159        1.49802       -3.15779
C         -3.96395        1.21333        3.71657
H         -2.82304       -0.40675        4.58434
C         -5.16594        3.00470        2.56442
C         -7.65074        1.87161       -0.90434
C         -7.68873        1.39199        1.49202
H         -7.50664        2.17380       -3.04206
C         -3.89289        2.04428        4.86182
C         -5.05978        3.79419        3.68541
H         -5.64275        3.39679        1.67152
C         -9.02822        2.19367       -0.82781
C         -9.02937        1.69586        1.52887
H         -7.19013        1.05870        2.39597
C         -4.43620        3.30612        4.85317
H         -3.38159        1.66730        5.74469
H         -5.45393        4.80670        3.66928
C         -9.70572        2.11638        0.36448
H         -9.54214        2.49038       -1.73916
H         -9.57541        1.60298        2.46373
H         -4.36841        3.93806        5.73436
H        -10.76325        2.36072        0.41111
N          1.29025       -3.73571       -1.37440
C          2.48435       -4.37567       -1.75736
C          1.17089       -3.64281        0.02750
C          3.17479       -4.72283       -0.49249
O          2.83964       -4.60236       -2.89220
C          2.37349       -4.31195        0.57457
O          0.27104       -3.10543        0.63262
C          4.40102       -5.30684       -0.27036
C          2.77386       -4.50396        1.87671
C          4.82122       -5.49470        1.04921
F          5.20752       -5.68989       -1.25948
C          4.01272       -5.10601        2.11077
F          2.03066       -4.13892        2.91872
F          6.00393       -6.05172        1.29758
F          4.43215       -5.30600        3.35764
N          5.00892       -1.49032        0.78251
C          6.41512       -1.63017        0.75459
C          4.45035       -1.61443       -0.50429
C          6.76184       -1.90514       -0.65797
O          7.15940       -1.52395        1.70210
C          5.58839       -1.87518       -1.41474
O          3.27293       -1.53707       -0.78404
C          7.97963       -2.15553       -1.24893
C          5.61816       -2.09258       -2.77411
C          8.01708       -2.38488       -2.62679
F          9.11909       -2.19319       -0.56214
C          6.85001       -2.35311       -3.38043
F          4.52796       -2.05824       -3.53553
F          9.17635       -2.63332       -3.22934
F          6.91338       -2.56878       -4.69094
149
l_tfpi_dimer_rh_cod_1.log
C         -1.03985       -4.53506       -1.45140
C         -0.92369       -5.92377       -1.36836
C          0.32263       -6.50635       -1.56054
C          1.44781       -5.71372       -1.78020
C          1.32444       -4.32761       -1.85933
C          0.06413       -3.74009       -1.73047
C          2.54047       -3.45244       -1.94763
O          2.80062       -2.89378       -0.61072
H         -1.79021       -6.53544       -1.14064
H          0.42194       -7.58617       -1.50226
H          2.42777       -6.17363       -1.87860
H         -0.05339       -2.66574       -1.80878
H          2.42568       -2.63945       -2.66848
H          3.43610       -4.02938       -2.18819
C         -3.56867        2.88051        1.22915
C         -3.82633        4.23309        1.42564
C         -3.00793        4.95142        2.29275
C         -1.94389        4.32989        2.93377
C         -1.68829        2.97200        2.72347
C         -2.50976        2.24003        1.87254
C         -0.52660        2.35072        3.45026
O         -0.25770        1.00816        2.95709
H         -4.64566        4.71683        0.90393
H         -3.19518        6.00886        2.45427
H         -1.29783        4.90318        3.59481
H         -2.32686        1.18522        1.70038
H         -0.75368        2.23887        4.51703
H          0.36310        2.98272        3.36094
Rh         1.25243       -1.69248        1.98164
C          2.50599       -3.51475        2.41703
C          1.27409       -3.95200        1.95348
C         -0.24982       -2.14038        3.61683
C          0.94740       -1.90105        4.26218
C          2.94065       -3.43641        3.85258
H          3.32560       -3.47296        1.70115
C          0.18059       -4.53649        2.82103
H          1.19934       -4.16770        0.88852
C         -0.83592       -3.49327        3.32716
H         -0.94168       -1.30359        3.51671
C          1.84709       -2.97383        4.83147
H          1.12484       -0.89320        4.63470
H          3.78936       -2.74644        3.90473
H          3.32809       -4.42059        4.16098
H         -0.36118       -5.28148        2.22901
H          0.63134       -5.07467        3.65995
H         -1.62278       -3.36167        2.57990
H         -1.33207       -3.86598        4.23686
H          1.23597       -3.82010        5.15790
H          2.33305       -2.57480        5.72768
P          2.28932       -1.48756       -0.01972
O          3.62014       -0.54526        0.03018
O          1.48358       -0.91523       -1.32891
C          4.43112       -0.56139       -1.11299
C          1.57105        0.37113       -1.84540
C          5.63619       -1.27587       -1.02212
C          4.02312        0.11134       -2.24587
C          2.77793        0.91267       -2.24764
C          0.34084        1.02736       -2.01446
C          6.46197       -1.33268       -2.11320
H          5.89025       -1.76000       -0.08427
C          4.83243       -0.02987       -3.42301
C          2.76811        2.27925       -2.68858
C          0.31472        2.28990       -2.53939
H         -0.56754        0.51743       -1.71375
C          6.07611       -0.73549       -3.33756
H          7.40912       -1.86302       -2.05941
C          4.42800        0.45890       -4.69043
C          1.52094        2.96070       -2.85361
C          3.96117        3.00356       -2.93330
H         -0.63157        2.80584       -2.68044
C          6.88811       -0.85684       -4.49185
C          5.23015        0.30494       -5.79661
H          3.46581        0.94909       -4.79101
C          1.51425        4.30888       -3.28529
C          3.92228        4.31926       -3.33199
H          4.91859        2.51734       -2.78095
C          6.48003       -0.34096       -5.69717
H          7.83599       -1.38233       -4.40470
H          4.89399        0.67997       -6.75929
C          2.69018        4.97878       -3.52168
H          0.55610        4.80840       -3.40753
H          4.85177        4.85764       -3.49604
H          7.10676       -0.44517       -6.57831
H          2.67554        6.01666       -3.84213
P          1.09996        0.53320        2.24771
O          2.18864        1.22812        3.27693
O          1.32166        1.43713        0.90487
C          3.51102        1.20522        2.81924
C          1.69317        2.78460        0.94523
C          4.37061        0.24829        3.38076
C          3.90436        2.11148        1.85563
C          2.95193        3.14359        1.38924
C          0.75233        3.70836        0.46054
C          5.66361        0.16746        2.93412
H          3.99115       -0.40284        4.16199
C          5.22694        1.97915        1.32406
C          3.26389        4.54230        1.43637
C          1.07381        5.03901        0.42856
H         -0.20757        3.34474        0.11135
C          6.11447        1.00510        1.88511
H          6.34911       -0.55969        3.36191
C          5.67607        2.73387        0.21307
C          2.32136        5.49019        0.92107
C          4.45875        5.03713        2.01686
H          0.36366        5.76507        0.04120
C          7.42272        0.87381        1.35821
C          6.94450        2.56446       -0.29082
H          5.00282        3.44417       -0.25483
C          2.64013        6.87022        0.94126
C          4.73018        6.38495        2.03614
H          5.16373        4.34250        2.46100
C          7.83378        1.63926        0.29427
H          8.08931        0.13876        1.80304
H          7.26305        3.14588       -1.15190
C          3.82411        7.31143        1.47895
H          1.91915        7.57409        0.53257
H          5.65011        6.74040        2.49203
H          8.83568        1.52294       -0.10933
H          4.05781        8.37221        1.49374
N         -4.40207        2.13058        0.34896
C         -5.80806        2.07708        0.44538
C         -3.91785        1.36499       -0.72367
C         -6.24687        1.19848       -0.66737
O         -6.48168        2.62701        1.28564
C         -5.11340        0.76132       -1.35802
O         -2.75486        1.24723       -1.04213
C         -7.50176        0.74933       -1.01423
C         -5.21804       -0.13685       -2.39639
C         -7.61770       -0.15449       -2.07449
F         -8.60337        1.12224       -0.36870
C         -6.48796       -0.59512       -2.75539
F         -4.15886       -0.59842       -3.05873
F         -8.81249       -0.61725       -2.42822
F         -6.62375       -1.47819       -3.74024
N         -2.28523       -3.90932       -1.16346
C         -2.41711       -2.86339       -0.22649
C         -3.53750       -4.36190       -1.62589
C         -3.87351       -2.67284       -0.04568
O         -1.50842       -2.27023        0.31347
C         -4.54580       -3.55489       -0.89595
O         -3.71638       -5.23229       -2.44639
C         -4.56843       -1.84000        0.80190
C         -5.92162       -3.59980       -0.92246
C         -5.96406       -1.89810        0.80044
F         -3.96663       -0.98465        1.62835
C         -6.63327       -2.76171       -0.05858
F         -6.60165       -4.41158       -1.72735
F         -6.66490       -1.11022        1.61165
F         -7.96296       -2.78058       -0.05850
149
l_tfpi_dimer_rh_cod_10.log
C          0.97159       -4.84588        1.37383
C          0.17929       -5.97166        1.59632
C         -0.90943       -5.87374        2.45416
C         -1.21996       -4.65831        3.05863
C         -0.42795       -3.53361        2.82747
C          0.68601       -3.63477        1.99227
C         -0.80509       -2.20677        3.41604
O         -1.58626       -1.41615        2.45815
H          0.41132       -6.90818        1.09840
H         -1.52739       -6.74741        2.63821
H         -2.08523       -4.57890        3.71176
H          1.32956       -2.77724        1.82187
H          0.07156       -1.63106        3.72671
H         -1.47399       -2.33027        4.27050
C         -2.51121        4.53482       -0.49871
C         -2.25192        5.84726       -0.88179
C         -1.01324        6.14424       -1.44383
C         -0.06391        5.14654       -1.64194
C         -0.34133        3.83029       -1.26587
C         -1.56659        3.52851       -0.68198
C          0.70980        2.76995       -1.44729
O          0.03877        1.47445       -1.47522
H         -3.00079        6.62014       -0.74627
H         -0.79447        7.16450       -1.74485
H          0.89386        5.38973       -2.09603
H         -1.78537        2.51654       -0.36656
H          1.42263        2.77974       -0.61451
H          1.25631        2.92146       -2.38349
Rh        -0.82233       -1.50737       -0.77750
C         -3.00370       -1.98199       -0.31342
C         -2.29863       -3.17456       -0.35912
C         -0.88661       -2.53900       -2.79010
C         -1.75446       -1.46179       -2.87353
C         -3.82945       -1.36896       -1.40689
H         -3.22961       -1.58470        0.67399
C         -2.36863       -4.17215       -1.49533
H         -1.93583       -3.55819        0.59467
C         -1.27813       -3.97344       -2.56393
H          0.12612       -2.39469       -3.16193
C         -3.26214       -1.57102       -2.81825
H         -1.36928       -0.54194       -3.31095
H         -3.90254       -0.29563       -1.19826
H         -4.85640       -1.76378       -1.34498
H         -2.25999       -5.17607       -1.07172
H         -3.36502       -4.13127       -1.94541
H         -0.37830       -4.51734       -2.26297
H         -1.60176       -4.41713       -3.51822
H         -3.56583       -2.53962       -3.22601
H         -3.68724       -0.80551       -3.47558
P         -0.93466       -0.53587        1.26436
O         -2.00357        0.69313        1.16190
O          0.31821        0.13933        2.10411
C         -2.46225        1.26822        2.35285
C          0.63794        1.49060        2.18402
C         -3.77835        0.95950        2.73073
C         -1.63194        2.10463        3.06553
C         -0.28340        2.45512        2.56340
C          1.99779        1.79605        1.97706
C         -4.28472        1.49864        3.88279
H         -4.36713        0.30432        2.09550
C         -2.12063        2.59238        4.32691
C          0.13550        3.82885        2.48955
C          2.42725        3.09340        2.02054
H          2.69134        0.98542        1.79616
C         -3.47143        2.30928        4.71162
H         -5.30681        1.28879        4.18769
C         -1.30631        3.30932        5.23859
C          1.50361        4.14567        2.21992
C         -0.77849        4.90152        2.62690
H          3.47781        3.32774        1.86949
C         -3.96991        2.82016        5.93515
C         -1.81430        3.77113        6.43013
H         -0.26377        3.48656        4.99891
C          1.90865        5.50059        2.14858
C         -0.36081        6.20784        2.52970
H         -1.82881        4.68987        2.78740
C         -3.16270        3.54613        6.77581
H         -5.00315        2.61010        6.20142
H         -1.16660        4.31097        7.11534
C          0.99633        6.51565        2.30262
H          2.95568        5.71848        1.95235
H         -1.08920        7.00918        2.61622
H         -3.55231        3.93004        7.71431
H          1.31271        7.55274        2.23563
P          0.69238        0.01501       -1.43410
O          2.05538        0.34428       -0.58152
O          1.32591       -0.30730       -2.91270
C          3.17955       -0.46845       -0.70172
C          2.29964        0.54586       -3.44360
C          3.51293       -1.26846        0.40409
C          3.94951       -0.39992       -1.84596
C          3.58124        0.54188       -2.92635
C          1.90436        1.34802       -4.52734
C          4.63958       -2.04500        0.35870
H          2.86980       -1.25081        1.27702
C          5.08091       -1.27640       -1.93845
C          4.50494        1.50969       -3.44375
C          2.80876        2.21231       -5.08529
H          0.88642        1.26665       -4.89677
C          5.43940       -2.08140       -0.80890
H          4.91612       -2.66306        1.20931
C          5.84193       -1.41486       -3.12555
C          4.11307        2.33397       -4.54774
C          5.78356        1.72295       -2.87079
H          2.52503        2.83457       -5.92994
C          6.56901       -2.93185       -0.88985
C          6.92538       -2.26023       -3.17595
H          5.55640       -0.85545       -4.01022
C          5.02936        3.28006       -5.06909
C          6.64242        2.66294       -3.38986
H          6.08365        1.14604       -2.00252
C          7.30564       -3.01439       -2.04607
H          6.83085       -3.53009       -0.02024
H          7.48796       -2.35697       -4.10032
C          6.27272        3.43854       -4.50830
H          4.72071        3.88815       -5.91596
H          7.61416        2.81479       -2.92821
H          8.16692       -3.67448       -2.10157
H          6.96674        4.17014       -4.91217
N         -3.74913        4.19252        0.11784
C         -4.30202        4.87275        1.22239
C         -4.50928        3.06014       -0.23422
C         -5.49509        4.08655        1.61676
O         -3.86267        5.87885        1.73158
C         -5.62241        3.00691        0.74041
O         -4.27774        2.30683       -1.15394
C         -6.35819        4.23834        2.67850
C         -6.61612        2.07038        0.90839
C         -7.37103        3.29220        2.85528
F         -6.25578        5.23613        3.55384
C         -7.50102        2.22183        1.97784
F         -6.75241        1.01404        0.10767
F         -8.21591        3.40437        3.87649
F         -8.46681        1.32858        2.17553
N          2.06542       -4.93489        0.46545
C          2.15239       -4.17458       -0.71069
C          3.08113       -5.91159        0.53818
C          3.28839       -4.73738       -1.47178
O          1.42438       -3.25402       -1.01812
C          3.86861       -5.75410       -0.70796
O          3.23864       -6.69533        1.44555
C          3.77918       -4.41645       -2.71773
C          4.96739       -6.44273       -1.17112
C          4.88311       -5.12296       -3.19960
F          3.23442       -3.47637       -3.48678
C          5.47701       -6.11642       -2.42980
F          5.55799       -7.40980       -0.47284
F          5.37896       -4.84952       -4.40194
F          6.54103       -6.75730       -2.90429
149
l_tfpi_dimer_rh_cod_11.log
C         -1.65894       -3.50444       -2.32993
C         -2.03283       -4.84748       -2.39206
C         -1.84866       -5.64738       -1.27162
C         -1.33330       -5.11030       -0.09495
C         -0.98405       -3.76092       -0.03243
C         -1.12778       -2.96031       -1.16501
C         -0.54945       -3.17353        1.28076
O          0.67718       -2.39719        1.14432
H         -2.46536       -5.25668       -3.29830
H         -2.12767       -6.69607       -1.31189
H         -1.21218       -5.74045        0.78233
H         -0.83735       -1.91836       -1.13922
H         -0.34395       -3.97080        2.00091
H         -1.34470       -2.53587        1.68544
C         -3.22110        1.06648        3.73749
C         -3.78871        1.18667        5.00158
C         -3.26857        2.12867        5.88483
C         -2.21151        2.94992        5.50005
C         -1.65383        2.83187        4.22576
C         -2.15773        1.87307        3.34870
C         -0.53648        3.72913        3.77644
O          0.80415        3.16707        3.98375
H         -4.62756        0.55758        5.28440
H         -3.70267        2.23181        6.87483
H         -1.82304        3.69564        6.18923
H         -1.73790        1.76804        2.35339
H         -0.52034        4.65260        4.35862
H         -0.64738        3.97759        2.71673
Rh         0.83220       -0.18869        3.66870
C          1.51685       -2.28768        4.21934
C          0.17470       -2.20183        4.53812
C          0.39131        0.38714        5.82569
C          1.75285        0.16773        5.76016
C          2.66773       -2.14339        5.17255
H          1.78155       -2.73830        3.26405
C         -0.38430       -2.04235        5.93267
H         -0.54386       -2.53418        3.79350
C         -0.66273       -0.57460        6.28770
H          0.05543        1.41938        5.74120
C          2.47536       -1.06583        6.25335
H          2.38068        1.04565        5.61594
H          3.55922       -1.90978        4.58132
H          2.86259       -3.11888        5.64549
H         -1.33102       -2.58933        5.98106
H          0.28666       -2.50690        6.65971
H         -1.60848       -0.27363        5.82460
H         -0.80288       -0.46062        7.37433
H          1.94395       -1.47126        7.11824
H          3.46341       -0.75878        6.61114
P          0.76972       -0.81647        1.48950
O          2.15597       -0.45701        0.73398
O         -0.40014       -0.25722        0.47148
C          2.34858       -0.97151       -0.55568
C         -0.26211        0.73761       -0.49062
C          3.26535       -2.02604       -0.67476
C          1.66629       -0.41738       -1.61681
C          0.75351        0.73512       -1.43360
C         -1.29324        1.69491       -0.49830
C          3.51007       -2.55999       -1.91057
H          3.76844       -2.38591        0.21695
C          1.85312       -1.03013       -2.90501
C          0.86323        1.89685       -2.27519
C         -1.27521        2.72104       -1.40140
H         -2.11343        1.58255        0.20069
C          2.80810       -2.08917       -3.04613
H          4.23224       -3.36311       -2.03087
C          1.11021       -0.65312       -4.05162
C         -0.17608        2.87857       -2.27751
C          2.00196        2.13371       -3.08428
H         -2.08461        3.44624       -1.42461
C          3.02715       -2.66919       -4.31980
C          1.34877       -1.23583       -5.27470
H          0.34116        0.10661       -3.96709
C         -0.06942        4.00947       -3.12217
C          2.09436        3.26099       -3.86707
H          2.82059        1.42247       -3.06807
C          2.32334       -2.24360       -5.41886
H          3.76290       -3.46507       -4.40520
H          0.77501       -0.91711       -6.14027
C          1.04343        4.20061       -3.90458
H         -0.87719        4.73746       -3.11742
H          2.98882        3.42960       -4.46049
H          2.50031       -2.69098       -6.39281
H          1.12493        5.07927       -4.53820
P          1.38657        1.92675        3.12828
O          2.95646        2.31797        3.41150
O          1.21041        2.31437        1.55128
C          3.86546        1.62789        2.59931
C          1.93983        3.35006        0.95434
C          4.57228        0.55946        3.17154
C          4.03146        2.04198        1.29326
C          3.30986        3.23839        0.80330
C          1.19534        4.43088        0.45554
C          5.45521       -0.14729        2.39707
H          4.40959        0.32165        4.21794
C          4.88782        1.25762        0.45558
C          4.00017        4.33952        0.19635
C          1.83878        5.44431       -0.20350
H          0.11731        4.42774        0.57439
C          5.61702        0.16477        1.02550
H          6.02235       -0.97154        2.82205
C          4.99674        1.48082       -0.93889
C          3.24696        5.43400       -0.33811
C          5.41471        4.41094        0.13496
H          1.27380        6.27612       -0.61594
C          6.46887       -0.60741        0.19767
C          5.81079        0.69480       -1.71992
H          4.41822        2.27638       -1.39534
C          3.92558        6.50589       -0.96824
C          6.04363        5.47421       -0.46858
H          6.00923        3.62023        0.57974
C          6.56859       -0.34801       -1.14724
H          7.02776       -1.42439        0.64767
H          5.86789        0.87676       -2.78976
C          5.29649        6.52411       -1.04235
H          3.33551        7.32087       -1.38042
H          7.12918        5.50922       -0.49688
H          7.21560       -0.95382       -1.77541
H          5.80870        7.35220       -1.52385
N         -3.73268        0.12072        2.80175
C         -4.29627        0.48395        1.56418
C         -3.60917       -1.27105        2.94351
C         -4.54754       -0.79128        0.85577
O         -4.50815        1.61749        1.19415
C         -4.13724       -1.84400        1.68090
O         -3.14449       -1.84201        3.90631
C         -5.04917       -1.03097       -0.40284
C         -4.22554       -3.14940        1.25304
C         -5.12679       -2.35323       -0.84738
F         -5.45405       -0.05784       -1.21168
C         -4.72932       -3.40123       -0.02646
F         -3.84160       -4.17963        2.00578
F         -5.57669       -2.61750       -2.07075
F         -4.83360       -4.65050       -0.46804
N         -1.85759       -2.66184       -3.45861
C         -2.42729       -1.37634       -3.38181
C         -1.55662       -3.02263       -4.78923
C         -2.48903       -0.88042       -4.77360
O         -2.79525       -0.82114       -2.36949
C         -1.99020       -1.87390       -5.61915
O         -1.03536       -4.05546       -5.14235
C         -2.90048        0.33541       -5.27157
C         -1.90156       -1.66485       -6.97667
C         -2.81807        0.55256       -6.64898
F         -3.36116        1.31302       -4.49344
C         -2.32659       -0.43779       -7.49214
F         -1.41570       -2.57687       -7.81598
F         -3.20975        1.71399       -7.16499
F         -2.25582       -0.20498       -8.79944
149
l_tfpi_dimer_rh_cod_12.log
C          3.68882       -1.52557        0.14076
C          3.90498       -0.29854       -0.48004
C          3.32747       -0.05605       -1.72331
C          2.52887       -1.01765       -2.32734
C          2.27325       -2.22841       -1.67842
C          2.86368       -2.48710       -0.44378
C          1.42697       -3.27744       -2.33623
O          0.01049       -2.92266       -2.46721
H          4.53078        0.45123       -0.00842
H          3.51516        0.88940       -2.22364
H          2.11332       -0.84247       -3.31563
H          2.70534       -3.44313        0.04539
H          1.50865       -4.22959       -1.80739
H          1.73671       -3.42970       -3.37370
C         -2.03611        3.83558       -1.05299
C         -1.58984        4.94406       -0.33689
C         -1.42344        4.83385        1.03793
C         -1.70083        3.63097        1.68286
C         -2.15805        2.52960        0.96013
C         -2.32283        2.63316       -0.42266
C         -2.52303        1.26377        1.67570
O         -1.92191        0.08084        1.05284
H         -1.37792        5.87467       -0.85572
H         -1.06849        5.68663        1.60902
H         -1.56047        3.54693        2.75778
H         -2.67018        1.78364       -1.00425
H         -3.59884        1.07367        1.59794
H         -2.24732        1.31481        2.73073
Rh        -0.69963       -2.88731        0.90414
C         -0.19768       -5.06693        0.53436
C         -1.57620       -4.98674        0.53128
C         -1.71874       -3.28726        2.87982
C         -0.38283       -3.61888        3.02738
C          0.68147       -5.48291        1.67739
H          0.28904       -5.07780       -0.43896
C         -2.49164       -5.39548        1.66382
H         -2.04610       -4.90247       -0.44591
C         -2.84784       -4.24005        2.61611
H         -2.03611       -2.30386        3.22897
C          0.18110       -5.01935        3.05497
H          0.28540       -2.85380        3.41168
H          1.67927       -5.06672        1.50124
H          0.79619       -6.57824        1.66147
H         -3.42021       -5.77775        1.22690
H         -2.04163       -6.22708        2.21196
H         -3.67623       -3.66334        2.19101
H         -3.21213       -4.64092        3.57509
H         -0.56091       -5.71399        3.45667
H          1.02823       -5.02857        3.74856
P         -0.92381       -2.34855       -1.28419
O         -1.03814       -0.74017       -1.58818
O         -2.32571       -2.89037       -1.96886
C         -1.56113       -0.26901       -2.79140
C         -3.49500       -2.25603       -1.53946
C         -0.67161        0.38814       -3.65786
C         -2.91332       -0.39099       -3.05201
C         -3.80360       -1.00747       -2.04357
C         -4.32794       -2.94697       -0.64352
C         -1.12917        0.86805       -4.85648
H          0.36182        0.51033       -3.35473
C         -3.38991        0.05223       -4.32920
C         -4.96765       -0.34834       -1.53112
C         -5.47834       -2.35079       -0.19684
H         -4.05810       -3.94863       -0.33059
C         -2.48023        0.68595       -5.23589
H         -0.45205        1.37666       -5.53841
C         -4.72332       -0.15983       -4.76090
C         -5.81163       -1.03660       -0.60078
C         -5.29349        0.98882       -1.86528
H         -6.13722       -2.87614        0.48972
C         -2.94372        1.11190       -6.50417
C         -5.14200        0.26749       -5.99924
H         -5.41964       -0.67735       -4.10974
C         -6.96130       -0.38482       -0.09038
C         -6.40622        1.60037       -1.33868
H         -4.64759        1.54039       -2.53836
C         -4.25092        0.91800       -6.87812
H         -2.23665        1.58637       -7.18046
H         -6.16802        0.08992       -6.30943
C         -7.25693        0.90636       -0.45287
H         -7.59823       -0.92610        0.60497
H         -6.62550        2.63033       -1.60390
H         -4.59693        1.24785       -7.85383
H         -8.13747        1.40008       -0.05151
P         -0.57685       -0.69116        1.43961
O         -0.42783       -0.14725        2.98910
O          0.73011       -0.04252        0.72464
C          0.78399       -0.14567        3.67471
C          1.14643        1.27020        0.94314
C          0.82357       -0.89853        4.86233
C          1.83390        0.65163        3.25751
C          1.67091        1.63471        2.16536
C          1.08870        2.13201       -0.16512
C          1.96853       -0.92323        5.61257
H         -0.07062       -1.42922        5.17478
C          3.07911        0.51718        3.95967
C          2.03286        3.01498        2.34077
C          1.54806        3.41452       -0.03968
H          0.69298        1.75679       -1.10301
C          3.13025       -0.24949        5.16666
H          2.00338       -1.47987        6.54523
C          4.28204        1.09872        3.48620
C          2.00575        3.89378        1.21175
C          2.37635        3.56139        3.60221
H          1.52418        4.08809       -0.89115
C          4.34636       -0.33070        5.88887
C          5.45408        0.97526        4.19504
H          4.27811        1.64023        2.54584
C          2.38508        5.24834        1.37337
C          2.71783        4.88783        3.73051
H          2.35183        2.92928        4.48322
C          5.48516        0.27748        5.42084
H          4.36207       -0.89950        6.81598
H          6.36657        1.41808        3.80482
C          2.74255        5.73797        2.60591
H          2.36700        5.89832        0.50176
H          2.96420        5.28565        4.71111
H          6.41477        0.20465        5.97866
H          3.02384        6.78088        2.72156
N         -2.21250        3.94764       -2.46727
C         -3.46217        4.13284       -3.08142
C         -1.15061        4.02118       -3.38336
C         -3.17228        4.28904       -4.52707
O         -4.52999        4.16819       -2.51148
C         -1.78686        4.23708       -4.70656
O          0.02538        3.92492       -3.11045
C         -4.01834        4.44986       -5.60052
C         -1.23298        4.35525       -5.96048
C         -3.46240        4.57478       -6.87571
F         -5.34352        4.47762       -5.47518
C         -2.08507        4.53295       -7.05324
F          0.08013        4.29498       -6.17629
F         -4.25356        4.71129       -7.93626
F         -1.58138        4.64113       -8.27974
N          4.35690       -1.82484        1.36096
C          5.74221       -1.62947        1.55716
C          3.76396       -2.48207        2.45469
C          6.04049       -2.20482        2.88913
O          6.50383       -1.11384        0.77180
C          4.85917       -2.72472        3.42018
O          2.59399       -2.77980        2.55533
C          7.22298       -2.27632        3.59099
C          4.84281       -3.31197        4.66484
C          7.21648       -2.88280        4.84896
F          8.36713       -1.77903        3.12601
C          6.03926       -3.39749        5.37893
F          3.73177       -3.79688        5.21753
F          8.33955       -2.95775        5.55800
F          6.05494       -3.95260        6.58799
149
l_tfpi_dimer_rh_cod_13.log
C          3.79719        1.79146       -1.64008
C          3.94541        1.67197       -3.01994
C          3.70218        0.44212       -3.61844
C          3.31786       -0.64974       -2.84418
C          3.18321       -0.52445       -1.46199
C          3.42129        0.71062       -0.85551
C          2.84062       -1.72362       -0.63074
O          1.73815       -1.45774        0.29839
H          4.24610        2.53370       -3.60906
H          3.80533        0.33543       -4.69422
H          3.12019       -1.60849       -3.31736
H          3.31205        0.83093        0.21869
H          3.67338       -1.98430        0.03112
H          2.60300       -2.58394       -1.25925
C         -3.91569        0.07967       -0.50542
C         -3.47135        1.14003       -1.28993
C         -2.81672        2.20701       -0.68112
C         -2.59171        2.20366        0.68877
C         -2.99612        1.11523        1.46581
C         -3.66960        0.05281        0.86767
C         -2.77199        1.11952        2.94876
O         -1.36393        1.04409        3.34918
H         -3.64762        1.13998       -2.36007
H         -2.49066        3.04873       -1.28495
H         -2.11668        3.05492        1.16776
H         -4.02627       -0.77530        1.47250
H         -3.32201        0.30652        3.42834
H         -3.10048        2.06576        3.38717
Rh        -0.80696       -2.13024        2.13392
C         -0.14665       -4.28424        2.04576
C         -1.46698       -4.23832        1.63039
C         -2.34315       -2.49431        3.75940
C         -1.11542       -2.77367        4.32720
C          0.34222       -4.66118        3.41365
H          0.62466       -4.30292        1.27465
C         -2.66306       -4.65899        2.45024
H         -1.65340       -4.15086        0.56399
C         -3.31951       -3.48144        3.18904
H         -2.76015       -1.50972        3.96309
C         -0.54394       -4.15339        4.56572
H         -0.65899       -1.97051        4.90145
H          1.35277       -4.25498        3.52843
H          0.44286       -5.75657        3.47051
H         -3.40381       -5.09190        1.77009
H         -2.37692       -5.44960        3.14867
H         -3.97281       -2.94449        2.49324
H         -3.96734       -3.85219        3.99898
H         -1.35813       -4.85424        4.76759
H          0.06535       -4.11546        5.47494
P          0.17858       -1.76407        0.12918
O         -0.60174       -0.56302       -0.63596
O          0.28655       -2.91417       -1.04788
C         -0.30115       -0.16395       -1.93752
C         -0.77064       -3.22758       -1.89820
C          0.21020        1.13628       -2.08475
C         -0.59976       -0.99092       -2.99940
C         -1.26203       -2.29692       -2.79540
C         -1.21203       -4.56314       -1.86785
C          0.45730        1.61912       -3.34076
H          0.38420        1.73613       -1.19772
C         -0.22210       -0.53931       -4.31120
C         -2.42146       -2.66940       -3.55611
C         -2.22637       -4.96270       -2.69624
H         -0.71737       -5.26223       -1.20045
C          0.27218        0.79362       -4.47624
H          0.83673        2.62827       -3.47173
C         -0.27627       -1.37546       -5.45387
C         -2.87953       -4.02451       -3.52998
C         -3.15952       -1.72958       -4.31846
H         -2.55698       -5.99785       -2.70079
C          0.62212        1.25290       -5.76906
C          0.09345       -0.90628       -6.69315
H         -0.59649       -2.40631       -5.34803
C         -3.98806       -4.40027       -4.32824
C         -4.25327       -2.11929       -5.05513
H         -2.86194       -0.68618       -4.30876
C          0.52902        0.42426       -6.86046
H          0.98723        2.27177       -5.87432
H          0.05552       -1.57186       -7.55110
C         -4.65851       -3.47043       -5.08427
H         -4.30807       -5.43975       -4.31403
H         -4.81290       -1.37769       -5.61890
H          0.80796        0.78277       -7.84726
H         -5.51302       -3.76616       -5.68675
P         -0.29280       -0.02061        2.78252
O          0.66449        0.05231        4.12625
O          0.61889        0.83048        1.71590
C          1.98349       -0.37663        3.95485
C          1.33479        1.95739        2.11836
C          2.33505       -1.63968        4.45916
C          2.88896        0.46986        3.34522
C          2.44952        1.81846        2.92444
C          0.91160        3.19511        1.60594
C          3.61884       -2.09341        4.30270
H          1.58921       -2.22975        4.97862
C          4.21562       -0.02039        3.11907
C          3.11000        3.01298        3.36248
C          1.57165        4.33806        1.97276
H          0.07564        3.21960        0.91646
C          4.57719       -1.31660        3.61014
H          3.90920       -3.06487        4.69432
C          5.17919        0.70483        2.37611
C          2.65748        4.28268        2.87837
C          4.16685        2.99702        4.30715
H          1.25514        5.30283        1.58421
C          5.88778       -1.80523        3.38554
C          6.43755        0.19554        2.16009
H          4.91500        1.67249        1.96557
C          3.29782        5.46553        3.32097
C          4.76851        4.16440        4.71528
H          4.49697        2.05084        4.72246
C          6.80272       -1.06473        2.67826
H          6.14895       -2.78548        3.77684
H          7.15313        0.76824        1.57772
C          4.34040        5.41104        4.21320
H          2.93670        6.42045        2.94666
H          5.57395        4.12654        5.44348
H          7.80373       -1.45009        2.50591
H          4.82498        6.32457        4.54673
N         -4.67164       -0.96735       -1.10260
C         -4.49479       -2.33601       -0.82883
C         -5.77819       -0.74222       -1.95089
C         -5.57659       -3.03485       -1.55815
O         -3.62767       -2.81408       -0.13081
C         -6.33835       -2.08306       -2.23824
O         -6.17434        0.33636       -2.32884
C         -5.87046       -4.37575       -1.65689
C         -7.41076       -2.45907       -3.01538
C         -6.96092       -4.76506       -2.43672
F         -5.15489       -5.31775       -1.04386
C         -7.72261       -3.81706       -3.10951
F         -8.15351       -1.58362       -3.68947
F         -7.26649       -6.05450       -2.55699
F         -8.74904       -4.21379       -3.85692
N          4.05209        3.05417       -1.01978
C          5.25252        3.36616       -0.36123
C          3.18815        4.15740       -1.10900
C          5.11794        4.78359        0.05280
O          6.18622        2.61206       -0.20128
C          3.88645        5.26154       -0.40485
O          2.10882        4.16558       -1.65812
C          5.96894        5.59396        0.76917
C          3.49464        6.55618       -0.15229
C          5.57930        6.91070        1.02466
F          7.14056        5.17086        1.23906
C          4.35651        7.38677        0.56809
F          2.32247        7.04486       -0.55457
F          6.37005        7.71371        1.73114
F          3.99909        8.63816        0.84422
149
l_tfpi_dimer_rh_cod_14.log
C         -1.82828       -3.69383       -1.38245
C         -1.81628       -5.08701       -1.47982
C         -0.70682       -5.71966       -2.02306
C          0.39778       -4.97426       -2.42607
C          0.38754       -3.58451       -2.31669
C         -0.74604       -2.93533       -1.81662
C          1.62855       -2.80248       -2.63328
O          2.35026       -2.50362       -1.38836
H         -2.66091       -5.66686       -1.12267
H         -0.69459       -6.80223       -2.10664
H          1.28033       -5.47430       -2.81648
H         -0.78008       -1.85218       -1.74797
H          1.41231       -1.87078       -3.16147
H          2.33258       -3.39656       -3.21987
C         -3.60812        2.48856        1.00507
C         -4.02816        3.78281        1.29078
C         -3.36504        4.49666        2.28581
C         -2.30166        3.92570        2.97326
C         -1.88117        2.62734        2.67067
C         -2.53551        1.90505        1.67887
C         -0.73754        2.04636        3.45893
O         -0.36263        0.73969        2.94677
H         -4.85614        4.22414        0.74546
H         -3.68102        5.50878        2.52035
H         -1.78830        4.49206        3.74709
H         -2.22547        0.89491        1.43608
H         -1.03588        1.88335        4.50093
H          0.12119        2.72718        3.46143
Rh         1.17254       -1.75984        1.57299
C          2.52890       -3.56004        1.58614
C          1.25865       -3.98835        1.22715
C         -0.09028       -2.51159        3.30562
C          1.17298       -2.29727        3.82066
C          3.14355       -3.67454        2.95175
H          3.25151       -3.40134        0.78629
C          0.32231       -4.75001        2.13922
H          1.04962       -4.06532        0.16190
C         -0.65981       -3.84422        2.90642
H         -0.81804       -1.70624        3.40600
C          2.17936       -3.38650        4.11733
H          1.35767       -1.34243        4.30978
H          3.98735       -2.97922        2.99738
H          3.57273       -4.68324        3.06253
H         -0.25977       -5.44619        1.52647
H          0.90681       -5.36231        2.83221
H         -1.54120       -3.66154        2.28621
H         -1.02056       -4.36133        3.80915
H          1.64574       -4.29513        4.41107
H          2.77133       -3.07790        4.98515
P          2.07293       -1.23038       -0.43255
O          3.55241       -0.56016       -0.27571
O          1.30150       -0.24492       -1.48742
C          4.35056       -0.55427       -1.42894
C          1.69028        1.01707       -1.92005
C          5.44359       -1.43456       -1.43996
C          4.03057        0.28156       -2.47734
C          2.97412        1.31091       -2.34580
C          0.63913        1.94916       -1.97521
C          6.22518       -1.51545       -2.56169
H          5.64681       -2.02898       -0.55430
C          4.76943        0.11364       -3.69744
C          3.25833        2.68454       -2.67202
C          0.88139        3.22811       -2.39078
H         -0.34957        1.62856       -1.67065
C          5.89123       -0.77588       -3.72233
H          7.08716       -2.17688       -2.58569
C          4.40329        0.76163       -4.90344
C          2.19619        3.64208       -2.70675
C          4.57354        3.14763       -2.92578
H          0.07178        3.95186       -2.43783
C          6.63450       -0.92501       -4.91893
C          5.13250        0.57717       -6.05452
H          3.52625        1.39974       -4.92107
C          2.47784        4.99334       -3.02238
C          4.81827        4.46950       -3.21710
H          5.40473        2.45465       -2.86582
C          6.26943       -0.25731       -6.06213
H          7.49172       -1.59384       -4.91605
H          4.82522        1.07547       -6.96983
C          3.76378        5.40319       -3.27740
H          1.65338        5.70200       -3.04617
H          5.83880        4.79849       -3.39355
H          6.84131       -0.38396       -6.97698
H          3.97286        6.44308       -3.51192
P          0.99650        0.40421        2.16823
O          2.08982        0.97156        3.26944
O          1.18214        1.50604        0.97099
C          3.40711        0.97308        2.79409
C          1.59938        2.82386        1.18484
C          4.24914       -0.06572        3.22094
C          3.81069        1.98130        1.94249
C          2.87853        3.08864        1.63628
C          0.68255        3.83103        0.83720
C          5.53074       -0.12630        2.74086
H          3.86467       -0.79658        3.92506
C          5.12403        1.88647        1.37924
C          3.23159        4.46057        1.86275
C          1.04176        5.14505        0.97411
H         -0.29241        3.54429        0.45937
C          5.98859        0.82194        1.79458
H          6.20264       -0.91772        3.06280
C          5.58866        2.77383        0.37853
C          2.30890        5.49369        1.49907
C          4.44936        4.84100        2.48045
H          0.34810        5.93446        0.69609
C          7.28495        0.72031        1.23357
C          6.84850        2.63834       -0.15637
H          4.93466        3.55990        0.01617
C          2.66630        6.84940        1.70042
C          4.75879        6.16623        2.67809
H          5.14192        4.07489        2.81189
C          7.71139        1.61215        0.27987
H          7.93126       -0.08878        1.56536
H          7.17953        3.32592       -0.92965
C          3.87031        7.18296        2.27065
H          1.95902        7.62061        1.40517
H          5.69552        6.43215        3.16008
H          8.70529        1.52244       -0.14933
H          4.13340        8.22549        2.42557
N         -4.30446        1.72576        0.02090
C         -3.68448        1.07040       -1.05488
C         -5.69352        1.48475        0.05424
C         -4.76720        0.35667       -1.77025
O         -2.50229        1.09973       -1.31687
C         -5.97351        0.61809       -1.11641
O         -6.46157        1.88787        0.89786
C         -4.71647       -0.49191       -2.85354
C         -7.14482        0.02901       -1.53717
C         -5.90179       -1.09274       -3.28692
F         -3.58244       -0.78267       -3.48823
C         -7.10345       -0.83277       -2.63703
F         -8.31147        0.23281       -0.92916
F         -5.88638       -1.92408       -4.32304
F         -8.21597       -1.42340       -3.06078
N         -2.95246       -3.06280       -0.77588
C         -2.85982       -2.17244        0.31260
C         -4.29179       -3.41911       -1.04771
C         -4.24547       -2.00904        0.81352
O         -1.84436       -1.65787        0.73021
C         -5.10381       -2.73804       -0.01364
O         -4.66367       -4.12960       -1.95380
C         -4.73616       -1.30016        1.88790
C         -6.46369       -2.73878        0.20169
C         -6.11500       -1.30186        2.11815
F         -3.95388       -0.61971        2.72227
C         -6.97010       -2.01286        1.28362
F         -7.31426       -3.40390       -0.57679
F         -6.61749       -0.62706        3.14565
F         -8.27717       -1.99546        1.51947
149
l_tfpi_dimer_rh_cod_15.log
C         -1.81741       -4.43743       -1.18612
C         -1.39444       -5.75982       -1.32657
C         -0.03932       -6.02395       -1.47524
C          0.88487       -4.98161       -1.47227
C          0.45643       -3.66284       -1.32923
C         -0.90566       -3.38742       -1.18480
C          1.44609       -2.53676       -1.35214
O          1.48416       -1.94499       -0.00799
H         -2.11917       -6.56752       -1.31573
H          0.29799       -7.05018       -1.58558
H          1.94511       -5.19228       -1.58646
H         -1.24867       -2.36202       -1.07800
H          1.15867       -1.77076       -2.07734
H          2.45143       -2.89862       -1.58342
C         -3.36067        1.51983        1.91093
C         -3.97697        1.38836        3.15328
C         -3.44315        2.06026        4.24953
C         -2.29859        2.83707        4.11269
C         -1.66560        2.93872        2.87125
C         -2.20395        2.28449        1.76549
C         -0.43225        3.77631        2.70672
O          0.76114        3.17674        3.31766
H         -4.86392        0.77344        3.26178
H         -3.93030        1.97439        5.21630
H         -1.89185        3.36792        4.97009
H         -1.73444        2.38875        0.79268
H         -0.53242        4.73159        3.22804
H         -0.23843        3.96847        1.64798
Rh         0.90774       -0.07273        2.52743
C          0.76182       -2.36553        2.90050
C         -0.46171       -1.89272        2.47762
C         -0.10840        0.09867        4.57031
C          1.22899       -0.19183        4.77098
C          1.12494       -2.70627        4.32541
H          1.43398       -2.75209        2.13954
C         -1.62980       -1.54677        3.35427
H         -0.69506       -1.96551        1.41601
C         -1.25325       -0.87958        4.68923
H         -0.38803        1.14996        4.59884
C          1.81781       -1.54375        5.05521
H          1.89082        0.64304        5.00227
H          1.81433       -3.55669        4.30588
H          0.23615       -3.03517        4.86849
H         -2.28091       -0.87491        2.78600
H         -2.22401       -2.45446        3.53764
H         -2.12833       -0.33051        5.05210
H         -1.01942       -1.62807        5.45032
H          1.80333       -1.71548        6.14321
H          2.87403       -1.51911        4.76586
P          1.60169       -0.39539        0.39124
O          3.16726        0.04634        0.21867
O          0.90556        0.25869       -0.94329
C          3.80785       -0.28024       -0.98003
C          1.30339        1.43121       -1.56343
C          4.75409       -1.31641       -0.92264
C          3.51223        0.42221       -2.13067
C          2.56874        1.56315       -2.10537
C          0.31075        2.41909       -1.69035
C          5.41274       -1.68543       -2.06491
H          4.94754       -1.79615        0.03170
C          4.12267       -0.02626       -3.35018
C          2.91904        2.84143       -2.65607
C          0.60370        3.59687       -2.32251
H         -0.67668        2.21188       -1.29039
C          5.10089       -1.07188       -3.30222
H          6.16241       -2.47199       -2.03892
C          3.76291        0.49205       -4.61954
C          1.91605        3.85371       -2.78672
C          4.24481        3.16280       -3.03886
H         -0.15814        4.36346       -2.43907
C          5.72117       -1.50089       -4.50134
C          4.36984        0.03888       -5.76723
H          2.98793        1.24765       -4.68736
C          2.26263        5.11184       -3.33546
C          4.55614        4.40536       -3.53978
H          5.02717        2.42185       -2.91513
C          5.37075       -0.95305       -5.71076
H          6.47157       -2.28566       -4.44407
H          4.06990        0.44574       -6.72899
C          3.55660        5.38645       -3.70567
H          1.48541        5.86611       -3.43298
H          5.58420        4.63375       -3.80739
H          5.84828       -1.29268       -6.62547
H          3.81616        6.36010       -4.11162
P          1.63092        2.05084        2.55175
O          3.01039        2.35878        3.39037
O          1.96940        2.67551        1.08008
C          4.16091        1.79817        2.81989
C          2.80409        3.79005        0.93286
C          4.69866        0.64932        3.42021
C          4.71957        2.41098        1.71613
C          4.15286        3.68287        1.21617
C          2.21885        4.95675        0.41485
C          5.81234        0.06708        2.87258
H          4.22894        0.25276        4.31405
C          5.82867        1.76043        1.08732
C          4.96171        4.85589        1.05493
C          3.00194        6.05535        0.17849
H          1.16130        4.95870        0.17669
C          6.38648        0.58667        1.68780
H          6.25153       -0.81541        3.33050
C          6.36365        2.20028       -0.14824
C          4.37938        6.04011        0.49902
C          6.31905        4.90806        1.46120
H          2.56737        6.95673       -0.24550
C          7.48982       -0.05148        1.06940
C          7.41750        1.54197       -0.73698
H          5.92490        3.06075       -0.64159
C          5.18528        7.18879        0.30514
C          7.06959        6.04506        1.27562
H          6.76851        4.04173        1.93432
C          7.99982        0.41681       -0.11653
H          7.91267       -0.93307        1.54517
H          7.80391        1.88985       -1.69121
C          6.50728        7.19132        0.67577
H          4.72909        8.07342       -0.13249
H          8.10600        6.06226        1.60108
H          8.83893       -0.08660       -0.58846
H          7.11678        8.07812        0.52708
N         -3.92573        0.88275        0.77157
C         -5.29573        0.94818        0.43694
C         -3.18101        0.18541       -0.19984
C         -5.42538        0.21941       -0.84641
O         -6.15695        1.50657        1.07633
C         -4.15607       -0.20868       -1.24386
O         -1.99401       -0.04851       -0.15388
C         -6.54059       -0.08562       -1.59385
C         -3.98572       -0.92294       -2.40922
C         -6.37753       -0.83061       -2.76507
F         -7.76944        0.27826       -1.23601
C         -5.11335       -1.24151       -3.17019
F         -2.79438       -1.33840       -2.83566
F         -7.43823       -1.16548       -3.49288
F         -4.98358       -1.95357       -4.28475
N         -3.21203       -4.16825       -1.05741
C         -3.78232       -3.42329       -0.01083
C         -4.18902       -4.65576       -1.95192
C         -5.24412       -3.44628       -0.25418
O         -3.17714       -2.88642        0.89109
C         -5.48923       -4.18800       -1.41270
O         -3.97327       -5.30189       -2.95104
C         -6.27464       -2.84588        0.43296
C         -6.77017       -4.34239       -1.89438
C         -7.57909       -3.00814       -0.04173
F         -6.07583       -2.10117        1.52038
C         -7.82379       -3.74819       -1.19324
F         -7.04636       -5.02890       -3.00001
F         -8.59537       -2.43539        0.59581
F         -9.07107       -3.87500       -1.63454
149
l_tfpi_dimer_rh_cod_16.log
C         -1.11439       -2.74483       -2.92618
C         -0.18411       -3.42586       -3.70431
C          0.85238       -4.10621       -3.07025
C          0.95364       -4.10266       -1.68291
C          0.01494       -3.41657       -0.90850
C         -1.02664       -2.74001       -1.53832
C          0.12645       -3.38421        0.58849
O          1.29484       -2.60805        1.03539
H         -0.27083       -3.42321       -4.78670
H          1.58418       -4.64268       -3.66697
H          1.76655       -4.63600       -1.19623
H         -1.75681       -2.18899       -0.95183
H          0.30850       -4.38348        0.99324
H         -0.77960       -2.97396        1.04199
C         -3.46423        1.01729        2.93183
C         -4.14598        1.34747        4.09989
C         -3.67448        2.39444        4.88530
C         -2.54075        3.10441        4.50077
C         -1.86125        2.76884        3.32824
C         -2.32505        1.71230        2.54424
C         -0.67022        3.56207        2.87634
O          0.59932        3.09031        3.43983
H         -5.03458        0.79144        4.38481
H         -4.20204        2.66322        5.79554
H         -2.18549        3.93425        5.10686
H         -1.81406        1.44852        1.62294
H         -0.73872        4.59678        3.21944
H         -0.60320        3.55275        1.78500
Rh         0.91171       -0.27101        3.35289
C          1.70033       -2.23697        4.17028
C          0.32058       -2.32454        4.15436
C         -0.08071        0.31639        5.30763
C          1.27149        0.27480        5.57859
C          2.55666       -1.92443        5.36294
H          2.23993       -2.67514        3.33175
C         -0.57605       -2.19472        5.36444
H         -0.13797       -2.78149        3.28101
C         -1.09105       -0.76038        5.58104
H         -0.50692        1.29070        5.07198
C          1.98797       -0.84403        6.30051
H          1.81194        1.21926        5.52866
H          3.53754       -1.60845        4.99498
H          2.72822       -2.85489        5.92700
H         -1.44209       -2.84855        5.21919
H         -0.05310       -2.56021        6.25239
H         -1.94392       -0.58653        4.91744
H         -1.46862       -0.64386        6.60924
H          1.31110       -1.28682        7.03607
H          2.81845       -0.40785        6.86488
P          1.27462       -1.00735        1.25156
O          2.74364       -0.58390        0.71314
O          0.25163       -0.58554        0.04124
C          3.17174       -1.11007       -0.51170
C          0.45717        0.38326       -0.92720
C          4.18071       -2.08292       -0.45066
C          2.62428       -0.63984       -1.68585
C          1.60820        0.43925       -1.69650
C         -0.63631        1.24513       -1.13731
C          4.66169       -2.61996       -1.61373
H          4.56591       -2.37677        0.52045
C          3.05858       -1.26662       -2.90559
C          1.75947        1.58087       -2.55667
C         -0.55257        2.24466       -2.06763
H         -1.54243        1.07818       -0.56368
C          4.10536       -2.24316       -2.85975
H          5.45676       -3.36076       -1.59166
C          2.45409       -1.00049       -4.15868
C          0.65883        2.47079       -2.76270
C          2.99024        1.88868       -3.18802
H         -1.40129        2.89891       -2.25049
C          4.54664       -2.85082       -4.06100
C          2.89298       -1.62178       -5.30443
H          1.61133       -0.32277       -4.21469
C          0.80871        3.57989       -3.62918
C          3.11527        2.99408       -3.99684
H          3.85003        1.25047       -3.01489
C          3.96039       -2.54176       -5.26386
H          5.35095       -3.58048       -4.00631
H          2.40105       -1.40843       -6.24974
C          2.01246        3.83953       -4.23787
H         -0.04495        4.23571       -3.78292
H          4.07555        3.21867       -4.45302
H          4.30133       -3.01804       -6.17884
H          2.12305        4.70102       -4.89035
P          1.41299        1.84824        2.79915
O          2.87414        2.36405        3.35217
O          1.52259        2.15380        1.19654
C          3.96263        1.70647        2.76639
C          2.28683        3.21230        0.69231
C          4.62000        0.72538        3.52422
C          4.34502        2.06478        1.48948
C          3.66416        3.18683        0.80583
C          1.59242        4.21973        0.00298
C          5.67178        0.04457        2.96812
H          4.28553        0.53616        4.53919
C          5.38502        1.30106        0.87008
C          4.39518        4.30339        0.28089
C          2.29111        5.24673       -0.57406
H          0.51435        4.15115       -0.08993
C          6.06190        0.29329        1.62979
H          6.20213       -0.71129        3.54168
C          5.73431        1.46011       -0.49365
C          3.69721        5.32429       -0.44105
C          5.78974        4.46270        0.47997
H          1.76829        6.02118       -1.12899
C          7.09656       -0.45766        1.01920
C          6.72597        0.69685       -1.06335
H          5.20194        2.18629       -1.09856
C          4.42176        6.41149       -0.98822
C          6.46119        5.53936       -0.04967
H          6.33262        3.73056        1.06787
C          7.42766       -0.25863       -0.29872
H          7.61142       -1.20906        1.61312
H          6.96713        0.82757       -2.11485
C          5.77878        6.51503       -0.80621
H          3.87584        7.16907       -1.54520
H          7.52896        5.64286        0.12245
H          8.21545       -0.84734       -0.76035
H          6.32592        7.35439       -1.22594
N         -3.96209       -0.03568        2.10754
C         -5.18986        0.03040        1.41824
C         -3.31842       -1.26743        1.92940
C         -5.33632       -1.28539        0.75150
O         -5.93575        0.98245        1.40304
C         -4.22058       -2.06726        1.06852
O         -2.24740       -1.57901        2.40790
C         -6.34844       -1.78669       -0.03676
C         -4.11507       -3.36230        0.61373
C         -6.24525       -3.09987       -0.50120
F         -7.41980       -1.07082       -0.37213
C         -5.14368       -3.88056       -0.17477
F         -3.07098       -4.14224        0.89423
F         -7.19799       -3.61110       -1.27415
F         -5.06547       -5.12257       -0.63618
N         -2.17050       -2.01050       -3.54313
C         -3.53164       -2.27003       -3.32160
C         -1.97070       -0.87795       -4.35465
C         -4.26427       -1.19900       -4.03668
O         -3.97770       -3.19668       -2.68009
C         -3.32884       -0.36567       -4.65715
O         -0.89936       -0.43955       -4.70708
C         -5.61387       -0.95100       -4.14584
C         -3.73255        0.72799       -5.38883
C         -6.03173        0.15500       -4.89082
F         -6.53575       -1.71818       -3.56624
C         -5.10119        0.98513       -5.50531
F         -2.87314        1.55135       -5.98532
F         -7.32825        0.42302       -5.01416
F         -5.52285        2.03380       -6.20600
149
l_tfpi_dimer_rh_cod_17.log
C         -0.67589       -4.30933       -1.71903
C         -0.89610       -5.58805       -1.20373
C          0.19812       -6.39937       -0.92602
C          1.49644       -5.91855       -1.08338
C          1.70904       -4.63398       -1.58368
C          0.61578       -3.85307       -1.95878
C          3.07353       -4.00981       -1.55462
O          3.19080       -3.17459       -0.34341
H         -1.90331       -5.93871       -1.00842
H          0.03341       -7.39923       -0.53551
H          2.34544       -6.53172       -0.79217
H          0.76977       -2.87086       -2.38672
H          3.27662       -3.39448       -2.43442
H          3.86013       -4.75823       -1.44008
C         -4.55077        2.62153        1.11431
C         -4.67684        3.66743        0.19939
C         -3.55879        4.43067       -0.11061
C         -2.32316        4.13373        0.46061
C         -2.20457        3.08454        1.37045
C         -3.33053        2.33355        1.71263
C         -0.87373        2.72136        1.95256
O         -0.54926        1.37421        1.44675
H         -5.63516        3.87064       -0.26761
H         -3.64771        5.24904       -0.81880
H         -1.44434        4.71628        0.19655
H         -3.25273        1.52338        2.43185
H         -0.90941        2.65203        3.04461
H         -0.10218        3.43670        1.65778
Rh         0.89342       -1.51631        1.33621
C          1.76760       -3.17517        2.54704
C          0.77294       -3.71893        1.73886
C         -1.14123       -1.64951        2.30928
C         -0.27611       -1.28283        3.32242
C          1.62445       -2.83962        4.00539
H          2.79997       -3.28009        2.21310
C         -0.59804       -4.13853        2.22691
H          1.09615       -4.16972        0.80412
C         -1.65584       -3.03682        2.04459
H         -1.67362       -0.84752        1.79706
C          0.27392       -2.20511        4.38659
H         -0.20865       -0.22098        3.55252
H          2.43434       -2.15390        4.27285
H          1.79070       -3.75309        4.59867
H         -0.91234       -5.01731        1.65505
H         -0.54020       -4.45473        3.27186
H         -2.03582       -3.06698        1.01750
H         -2.52501       -3.22574        2.69406
H         -0.46850       -2.97408        4.61611
H          0.41340       -1.62244        5.30274
P          2.60042       -1.68432       -0.14755
O          3.91070       -0.80398        0.25867
O          2.36467       -1.28303       -1.72051
C          5.05955       -0.98103       -0.52657
C          2.69800       -0.07270       -2.31027
C          6.11560       -1.69178        0.06563
C          5.11108       -0.45633       -1.80244
C          4.00595        0.37370       -2.33597
C          1.64305        0.59895       -2.95250
C          7.26242       -1.90811       -0.65073
H          6.00017       -2.05017        1.08382
C          6.26511       -0.77511       -2.59633
C          4.24860        1.66640       -2.91415
C          1.88761        1.78305       -3.59169
H          0.64981        0.16231       -2.91493
C          7.35771       -1.48094       -1.99715
H          8.09871       -2.43896       -0.20368
C          6.35052       -0.46197       -3.97606
C          3.17822        2.36329       -3.55940
C          5.50888        2.30882       -2.83514
H          1.08338        2.31187       -4.09647
C          8.50698       -1.77311       -2.77208
C          7.47137       -0.78019       -4.70615
H          5.51302        0.02229       -4.46613
C          3.41483        3.64127       -4.12085
C          5.70302        3.55855       -3.37553
H          6.32552        1.81644       -2.31968
C          8.56944       -1.42355       -4.09853
H          9.33313       -2.29563       -2.29610
H          7.50815       -0.53859       -5.76480
C          4.65250        4.23083       -4.03331
H          2.58878        4.15365       -4.60820
H          6.67506        4.03613       -3.28653
H          9.45251       -1.65773       -4.68623
H          4.82212        5.21619       -4.45812
P          0.91036        0.73657        1.28740
O          1.67490        1.53125        2.52053
O          1.62713        1.42864       -0.00894
C          3.07036        1.47414        2.50630
C          1.97799        2.77969       -0.01737
C          3.68862        0.61574        3.42890
C          3.77082        2.26572        1.61679
C          3.03714        3.21892        0.75383
C          1.23940        3.61801       -0.86929
C          5.05368        0.50039        3.42748
H          3.06847        0.06717        4.13015
C          5.19126        2.09624        1.55721
C          3.33650        4.62061        0.73160
C          1.56997        4.94440       -0.95428
H          0.42521        3.19151       -1.44571
C          5.83228        1.20752        2.47997
H          5.55164       -0.15554        4.13692
C          5.98986        2.73120        0.57517
C          2.61191        5.47847       -0.15844
C          4.29714        5.20888        1.59195
H          1.02108        5.60645       -1.61913
C          7.23599        1.03060        2.41263
C          7.34787        2.52106        0.52316
H          5.51800        3.37666       -0.15757
C          2.92502        6.85924       -0.20190
C          4.56530        6.55633        1.53629
H          4.82036        4.58742        2.31068
C          7.98210        1.67402        1.45553
H          7.70845        0.35891        3.12541
H          7.93744        3.00875       -0.24854
C          3.88815        7.38914        0.62113
H          2.37516        7.49358       -0.89294
H          5.30218        6.98520        2.20974
H          9.05679        1.52340        1.40551
H          4.11792        8.45018        0.58318
N         -5.68788        1.82035        1.41921
C         -5.70934        0.41865        1.31429
C         -6.93973        2.34065        1.80746
C         -7.09168        0.01392        1.65437
O         -4.77391       -0.28530        0.99731
C         -7.82927        1.16337        1.95136
O         -7.19319        3.50951        1.98687
C         -7.67206       -1.23340        1.70540
C         -9.15415        1.07661        2.31530
C         -9.01689       -1.32894        2.07216
F         -7.00387       -2.35026        1.42252
C         -9.74929       -0.18676        2.37411
F         -9.89031        2.14437        2.61340
F         -9.60630       -2.51902        2.13776
F        -11.02761       -0.30367        2.71987
N         -1.76236       -3.42028       -1.93861
C         -1.73589       -2.05941       -1.56633
C         -3.02125       -3.79305       -2.46152
C         -3.07280       -1.52763       -1.89427
O         -0.80321       -1.47217       -1.05509
C         -3.85605       -2.57131       -2.39629
O         -3.31558       -4.88921       -2.87933
C         -3.59332       -0.26477       -1.72722
C         -5.17614       -2.36466       -2.72730
C         -4.93465       -0.05221       -2.05187
F         -2.87530        0.75487       -1.26672
C         -5.71849       -1.08951       -2.54041
F         -5.96159       -3.32960       -3.19942
F         -5.48111        1.14745       -1.86761
F         -6.99807       -0.86205       -2.82293
149
l_tfpi_dimer_rh_cod_18.log
C         -1.63355       -2.93851       -2.27236
C         -1.90014       -2.77989       -3.63023
C         -0.83238       -2.78695       -4.52225
C          0.47634       -2.90568       -4.06375
C          0.73263       -3.06008       -2.70059
C         -0.33303       -3.11017       -1.80881
C          2.16380       -3.12582       -2.22957
O          2.30860       -2.81925       -0.81319
H         -2.91635       -2.63880       -3.98161
H         -1.02322       -2.66171       -5.58399
H          1.30446       -2.85639       -4.76704
H         -0.16251       -3.22962       -0.74498
H          2.79017       -2.45478       -2.82574
H          2.56408       -4.14143       -2.32096
C         -3.89453        2.28076        1.64987
C         -4.55982        3.36887        2.20220
C         -3.93007        4.09305        3.21125
C         -2.66203        3.73348        3.65221
C         -2.00160        2.63887        3.08689
C         -2.62271        1.90809        2.07938
C         -0.62854        2.28266        3.58883
O         -0.27065        0.95289        3.12548
H         -5.54876        3.64421        1.84955
H         -4.43665        4.94402        3.65659
H         -2.18186        4.30179        4.44540
H         -2.13880        1.04354        1.63765
H         -0.61222        2.25217        4.68361
H          0.11276        3.02060        3.26131
Rh         1.21200       -1.66206        1.96244
C          2.45950       -3.51930        2.27703
C          1.21938       -3.94993        1.83916
C         -0.27036       -2.17633        3.58647
C          0.93896       -1.97900        4.22634
C          2.93512       -3.48258        3.70088
H          3.25390       -3.44222        1.53445
C          0.13594       -4.54145        2.71123
H          1.12123       -4.13773        0.77340
C         -0.87903       -3.48875        3.18726
H         -0.95581       -1.32980        3.55412
C          1.86604       -3.06341        4.72750
H          1.11118       -0.99091        4.65149
H          3.77949       -2.78756        3.75259
H          3.33892       -4.47282        3.96518
H         -0.40138       -5.29402        2.12484
H          0.58087       -5.06714        3.55963
H         -1.59287       -3.28607        2.38059
H         -1.47209       -3.88108        4.02841
H          1.27626       -3.92543        5.04997
H          2.37818       -2.68634        5.61846
P          2.07142       -1.38271       -0.11675
O          3.49859       -0.59030       -0.11672
O          1.26355       -0.65060       -1.33094
C          4.23205       -0.60977       -1.31171
C          1.44229        0.63592       -1.81021
C          5.36928       -1.43315       -1.32774
C          3.82204        0.15175       -2.38790
C          2.66576        1.07082       -2.28540
C          0.26976        1.40670       -1.88660
C          6.11505       -1.52217       -2.47297
H          5.63459       -1.97732       -0.42645
C          4.53100       -0.02837       -3.62420
C          2.75664        2.44224       -2.70442
C          0.33046        2.68031       -2.37955
H         -0.66142        0.97178       -1.53930
C          5.70464       -0.84923       -3.64891
H          7.00980       -2.13838       -2.50119
C          4.08149        0.52829       -4.84798
C          1.57259        3.24440       -2.75842
C          3.99150        3.05553       -3.03023
H         -0.56930        3.28627       -2.44650
C          6.41762       -1.00905       -4.86260
C          4.78319        0.33293       -6.01427
H          3.16231        1.10342       -4.86782
C          1.66535        4.59960       -3.15720
C          4.05101        4.37895       -3.39985
H          4.90609        2.47717       -2.96208
C          5.97349       -0.42339       -6.02231
H          7.31576       -1.62184       -4.85864
H          4.41196        0.76110       -6.94126
C          2.87933        5.15980       -3.47407
H          0.75438        5.19226       -3.19286
H          5.01333        4.82913       -3.62822
H          6.52273       -0.55820       -6.94976
H          2.94148        6.20316       -3.77009
P          1.04999        0.54515        2.32242
O          2.19102        1.21906        3.30533
O          1.17275        1.50399        1.00589
C          3.48312        1.18294        2.76411
C          1.57466        2.84283        1.06511
C          4.35624        0.19608        3.24794
C          3.83059        2.10174        1.79468
C          2.87030        3.16465        1.42135
C          0.61587        3.79774        0.68533
C          5.61314        0.09549        2.71211
H          4.01575       -0.46138        4.04169
C          5.11288        1.95377        1.17427
C          3.21417        4.55616        1.47986
C          0.96120        5.12221        0.66407
H         -0.37885        3.46211        0.41186
C          6.01133        0.94542        1.65176
H          6.30875       -0.65553        3.07763
C          5.50843        2.72828        0.05719
C          2.25523        5.53510        1.06284
C          4.46012        5.01258        1.97827
H          0.23784        5.87294        0.35667
C          7.27702        0.79497        1.03439
C          6.73763        2.54413       -0.53173
H          4.82392        3.46445       -0.35012
C          2.60432        6.90745        1.09059
C          4.76157        6.35388        2.00775
H          5.18195        4.29341        2.34985
C          7.63793        1.58001       -0.03362
H          7.95170        0.03182        1.41498
H          7.01436        3.14311       -1.39515
C          3.83563        7.31174        1.54484
H          1.86908        7.63536        0.75635
H          5.72140        6.67940        2.39909
H          8.60776        1.45074       -0.50575
H          4.09262        8.36697        1.56611
N         -4.51900        1.51090        0.62477
C         -5.74920        0.84452        0.77407
C         -3.94831        1.29432       -0.64171
C         -5.97937        0.14574       -0.51521
O         -6.43471        0.83852        1.77209
C         -4.88751        0.39469       -1.35160
O         -2.91015        1.77376       -1.04005
C         -6.99887       -0.68725       -0.91744
C         -4.79845       -0.18934       -2.59467
C         -6.91622       -1.28506       -2.17876
F         -8.05183       -0.96134       -0.14886
C         -5.82662       -1.04137       -3.00748
F         -3.76983        0.01915       -3.41325
F         -7.87724       -2.10610       -2.58987
F         -5.76395       -1.63283       -4.19649
N         -2.69059       -2.89522       -1.31890
C         -2.64336       -2.13399       -0.13242
C         -3.89470       -3.61870       -1.43102
C         -3.90218       -2.43771        0.58530
O         -1.75548       -1.37622        0.19549
C         -4.66155       -3.30695       -0.20082
O         -4.20285       -4.34552       -2.34809
C         -4.37276       -1.98657        1.79825
C         -5.91020       -3.71915        0.20866
C         -5.63449       -2.40756        2.22546
F         -3.67587       -1.16099        2.57870
C         -6.39632       -3.26311        1.43701
F         -6.67697       -4.52390       -0.52308
F         -6.11626       -1.98884        3.39017
F         -7.59924       -3.64014        1.85705
149
l_tfpi_dimer_rh_cod_2.log
C         -1.27056       -4.49493       -1.33163
C         -1.10464       -5.88070       -1.31134
C          0.09652       -6.41996       -1.75486
C          1.13930       -5.58732       -2.15703
C          0.96792       -4.20373       -2.17042
C         -0.26233       -3.66019       -1.79503
C          2.12728       -3.29001       -2.44122
O          2.64291       -2.77771       -1.16130
H         -1.89509       -6.52307       -0.93702
H          0.23333       -7.49721       -1.74839
H          2.09622       -6.01381       -2.44667
H         -0.42464       -2.58956       -1.82283
H          1.86127       -2.44954       -3.08685
H          2.97059       -3.83065       -2.87571
C         -3.29257        2.96559        1.43305
C         -3.49679        4.25193        1.91699
C         -2.77293        4.66942        3.03046
C         -1.86479        3.81222        3.63806
C         -1.66917        2.51861        3.14524
C         -2.39259        2.08935        2.03789
C         -0.65151        1.65225        3.83584
O         -0.35881        0.44209        3.08368
H         -4.20600        4.91309        1.42880
H         -2.91463        5.67355        3.41885
H         -1.28854        4.15277        4.49551
H         -2.23574        1.10003        1.61887
H         -1.03392        1.30541        4.80283
H          0.26661        2.21946        4.01895
Rh         1.23995       -2.03768        1.71233
C          2.75249       -3.69415        1.83198
C          1.52773       -4.24602        1.46928
C          0.03392       -2.80642        3.47000
C          1.26867       -2.46955        3.98836
C          3.35310       -3.71740        3.20871
H          3.47396       -3.50541        1.03822
C          0.64087       -5.04894        2.39864
H          1.35607       -4.39865        0.40535
C         -0.41989       -4.19844        3.12518
H         -0.75676       -2.05807        3.52953
C          2.34992       -3.46380        4.34740
H          1.37131       -1.48340        4.43775
H          4.14223       -2.96049        3.24112
H          3.85418       -4.68731        3.35850
H          0.12340       -5.81004        1.80558
H          1.26323       -5.58905        3.11862
H         -1.31052       -4.11524        2.49620
H         -0.74216       -4.70635        4.04747
H          1.88054       -4.39961        4.66413
H          2.89664       -3.07858        5.21420
P          2.07014       -1.52133       -0.32700
O          3.33654       -0.50077       -0.24717
O          1.11055       -0.84986       -1.47731
C          4.05315       -0.29100       -1.43292
C          1.06821        0.48185       -1.85978
C          5.32157       -0.88638       -1.51077
C          3.50551        0.48124       -2.43604
C          2.20222        1.16321       -2.26333
C         -0.22074        1.04365       -1.91260
C          6.07046       -0.71805       -2.64461
H          5.68508       -1.45820       -0.66270
C          4.23844        0.57133       -3.66875
C          2.05707        2.56357       -2.55047
C         -0.37836        2.33567       -2.33295
H         -1.06861        0.42909       -1.62406
C          5.54523       -0.00943       -3.75215
H          7.06447       -1.15148       -2.71708
C          3.70255        1.17385       -4.83452
C          0.75036        3.13890       -2.62040
C          3.17248        3.41692       -2.73599
H         -1.36779        2.77776       -2.40251
C          6.28256        0.10237       -4.95665
C          4.43610        1.24616       -5.99541
H          2.69327        1.56985       -4.81630
C          0.60760        4.51443       -2.92189
C          3.00273        4.75705       -2.99619
H          4.17377        3.00851       -2.65047
C          5.74543        0.72584       -6.05581
H          7.27872       -0.33143       -4.99541
H          3.99849        1.70445       -6.87798
C          1.71089        5.31167       -3.10746
H         -0.39523        4.93130       -2.97810
H          3.87411        5.39533       -3.11399
H          6.31622        0.80162       -6.97695
H          1.59302        6.36976       -3.32357
P          0.98057        0.14156        2.24941
O          2.08585        0.79403        3.29120
O          1.06684        1.19980        1.00482
C          3.38567        0.86756        2.78035
C          1.42660        2.54408        1.13214
C          4.30926       -0.08671        3.23372
C          3.70017        1.86222        1.87745
C          2.69853        2.89707        1.54323
C          0.46364        3.48403        0.72914
C          5.58295       -0.07914        2.72823
H          3.99306       -0.80323        3.98490
C          4.99988        1.82278        1.27687
C          2.99031        4.29609        1.67044
C          0.76537        4.81878        0.76258
H         -0.49707        3.12906        0.37709
C          5.94976        0.84856        1.72308
H          6.31763       -0.80149        3.07448
C          5.36587        2.67252        0.20430
C          2.01977        5.25960        1.24572
C          4.19763        4.77287        2.24055
H          0.03492        5.55306        0.43264
C          7.23575        0.81099        1.12998
C          6.61360        2.59240       -0.36826
H          4.64300        3.38394       -0.18014
C          2.32065        6.64057        1.34041
C          4.45214        6.12093        2.33425
H          4.92588        4.06332        2.61817
C          7.56559        1.66693        0.10773
H          7.95113        0.07521        1.48957
H          6.86637        3.24549       -1.19922
C          3.51607        7.06621        1.86521
H          1.57712        7.35661        0.99882
H          5.38170        6.46136        2.78205
H          8.55081        1.62214       -0.34790
H          3.73641        8.12752        1.93738
N         -3.98787        2.53918        0.26313
C         -3.85046        3.15798       -0.99282
C         -4.84884        1.43180        0.21743
C         -4.67807        2.35169       -1.92285
O         -3.17971        4.13859       -1.22679
C         -5.26734        1.31115       -1.19870
O         -5.17409        0.75041        1.16441
C         -4.90064        2.48432       -3.27501
C         -6.09215        0.39830       -1.81520
C         -5.73576        1.55945       -3.90837
F         -4.35419        3.45616       -4.00205
C         -6.32388        0.52701       -3.18700
F         -6.67031       -0.60734       -1.15927
F         -5.97052        1.65960       -5.21316
F         -7.11070       -0.34232       -3.81347
N         -2.44914       -3.91444       -0.78696
C         -2.42180       -2.91964        0.21082
C         -3.76183       -4.36394       -1.04474
C         -3.81776       -2.78199        0.67440
O         -1.44045       -2.31176        0.58743
C         -4.62790       -3.61442       -0.10513
O         -4.07209       -5.19454       -1.86768
C         -4.34426       -2.04530        1.71103
C         -5.98509       -3.67834        0.11318
C         -5.71996       -2.11729        1.94735
F         -3.59107       -1.29154        2.50719
C         -6.53097       -2.91521        1.14978
F         -6.79535       -4.44665       -0.61110
F         -6.26379       -1.42741        2.94253
F         -7.83912       -2.95703        1.38593
149
l_tfpi_dimer_rh_cod_20.log
C         -1.16244       -2.79415       -2.90477
C         -0.27477       -3.51771       -3.69341
C          0.73432       -4.24859       -3.07089
C          0.85316       -4.24790       -1.68525
C         -0.04514       -3.52144       -0.89911
C         -1.06410       -2.80127       -1.51720
C          0.10665       -3.48006        0.59488
O          1.30567       -2.72241        0.99359
H         -0.36814       -3.50294       -4.77513
H          1.43604       -4.81551       -3.67563
H          1.65410       -4.80847       -1.20885
H         -1.76090       -2.21546       -0.92451
H          0.27901       -4.47946        1.00321
H         -0.77559       -3.04526        1.07356
C         -3.51144        1.22696        3.19029
C         -4.42247        1.60896        4.17031
C         -4.03322        2.54863        5.11926
C         -2.74925        3.07892        5.09655
C         -1.83704        2.68372        4.11479
C         -2.22564        1.76097        3.14639
C         -0.44297        3.25457        4.17600
O          0.31457        2.98429        2.98282
H         -5.41661        1.17395        4.19180
H         -4.73583        2.86035        5.88623
H         -2.44834        3.80522        5.84818
H         -1.54636        1.44911        2.35965
H          0.09336        2.89428        5.06410
H         -0.48774        4.34629        4.24920
Rh         0.93022       -0.42979        3.36031
C          1.98849       -2.30132        4.03294
C          0.62441       -2.54637        4.10675
C          0.02468       -0.04341        5.41785
C          1.38829        0.08167        5.57744
C          2.88537       -1.95356        5.18540
H          2.51993       -2.66260        3.15319
C         -0.16966       -2.59073        5.39247
H          0.15934       -3.03504        3.25376
C         -0.81732       -1.24151        5.74680
H         -0.54743        0.86535        5.24814
C          2.28103       -0.96678        6.20074
H          1.80660        1.08530        5.51499
H          3.80720       -1.53399        4.77241
H          3.17637       -2.88473        5.69727
H         -0.96622       -3.33308        5.27837
H          0.46997       -2.94340        6.20699
H         -1.75840       -1.14358        5.19718
H         -1.07600       -1.21183        6.81691
H          1.71458       -1.50278        6.96786
H          3.10119       -0.45710        6.71646
P          1.27144       -1.12384        1.23611
O          2.72857       -0.67892        0.69125
O          0.21866       -0.69897        0.06139
C          3.17230       -1.20622       -0.52685
C          0.39930        0.20855       -0.96763
C          4.23357       -2.12025       -0.44418
C          2.59597       -0.79305       -1.70980
C          1.53973        0.24936       -1.75466
C         -0.71717        1.03541       -1.19945
C          4.74152       -2.66177       -1.59310
H          4.63707       -2.36418        0.53363
C          3.06103       -1.43441       -2.91289
C          1.64870        1.35607       -2.66840
C         -0.67636        1.97988       -2.18736
H         -1.59865        0.89559       -0.58010
C          4.16054       -2.35016       -2.84566
H          5.57814       -3.35445       -1.55420
C          2.44262       -1.23575       -4.17138
C          0.51912        2.19893       -2.91062
C          2.86828        1.68120       -3.31243
H         -1.54199        2.60652       -2.38765
C          4.63483       -2.96213       -4.03216
C          2.91526       -1.85948       -5.30237
H          1.56183       -0.61043       -4.24097
C          0.62719        3.26724       -3.83230
C          2.95360        2.75127       -4.17279
H          3.75260        1.08789       -3.10628
C          4.03305       -2.71606       -5.24168
H          5.47900       -3.64357       -3.95985
H          2.41108       -1.69765       -6.25150
C          1.82020        3.54066       -4.45636
H         -0.24974        3.88407       -4.01443
H          3.90643        2.99101       -4.63683
H          4.40083       -3.19421       -6.14521
H          1.89901        4.37245       -5.15065
P          1.28291        1.71982        2.71399
O          2.70839        2.37640        3.24145
O          1.43189        1.89545        1.10392
C          3.84913        1.78256        2.68661
C          2.06395        3.01860        0.56351
C          4.57934        0.89269        3.48931
C          4.20666        2.09901        1.38912
C          3.43710        3.12484        0.65151
C          1.25424        3.95289       -0.09963
C          5.67394        0.25664        2.96215
H          4.26212        0.73366        4.51502
C          5.29509        1.37909        0.80476
C          4.05331        4.28162        0.07306
C          1.84255        5.02458       -0.71791
H          0.18167        3.79538       -0.12402
C          6.03961        0.45756        1.60910
H          6.25746       -0.42957        3.57063
C          5.62379        1.48995       -0.56913
C          3.24310        5.21759       -0.64818
C          5.43518        4.56340        0.21561
H          1.23637        5.74970       -1.25468
C          7.11395       -0.25942        1.02648
C          6.65649        0.76075       -1.10938
H          5.03977        2.14875       -1.20316
C          3.85320        6.34580       -1.24963
C          5.99325        5.67604       -0.36848
H          6.05801        3.89479        0.80019
C          7.42059       -0.11013       -0.30402
H          7.67966       -0.94557        1.65229
H          6.88123        0.85066       -2.16878
C          5.20233        6.56815       -1.12255
H          3.22614        7.03948       -1.80452
H          7.05419        5.87350       -0.24225
H          8.23925       -0.67314       -0.74346
H          5.66006        7.43816       -1.58471
N         -3.90419        0.24713        2.23165
C         -5.07468        0.34894        1.45124
C         -3.28781       -1.00988        2.09653
C         -5.21822       -0.96301        0.77880
O         -5.78915        1.32245        1.37817
C         -4.15715       -1.78191        1.17737
O         -2.26453       -1.36122        2.64605
C         -6.21103       -1.44189       -0.04753
C         -4.08974       -3.09431        0.76511
C         -6.14690       -2.77223       -0.46645
F         -7.23641       -0.69220       -0.44718
C         -5.09984       -3.59027       -0.06028
F         -3.10637       -3.91703        1.13135
F         -7.08827       -3.26859       -1.26154
F         -5.06130       -4.85185       -0.47175
N         -2.16996       -1.98363       -3.50856
C         -3.54461       -2.14978       -3.28479
C         -1.89228       -0.83763       -4.27895
C         -4.20069       -1.00050       -3.95216
O         -4.05324       -3.06531       -2.67449
C         -3.20949       -0.21194       -4.54354
O         -0.79586       -0.47139       -4.63480
C         -5.52860       -0.64920       -4.04239
C         -3.53257        0.94197       -5.22066
C         -5.86562        0.51702       -4.73434
F         -6.50315       -1.37107       -3.49178
C         -4.87869        1.30394       -5.31689
F         -2.61568        1.72903       -5.78014
F         -7.13905        0.88635       -4.83511
F         -5.22569        2.41003       -5.96863
149
l_tfpi_dimer_rh_cod_22.log
C         -0.97883       -4.57762       -1.47433
C         -0.82786       -5.96428       -1.41203
C          0.42775       -6.51443       -1.63657
C          1.52973       -5.69269       -1.86639
C          1.37185       -4.30905       -1.92382
C          0.10071       -3.75337       -1.76452
C          2.56431       -3.40267       -2.01651
O          2.82864       -2.85848       -0.67412
H         -1.67406       -6.60004       -1.17464
H          0.55327       -7.59228       -1.59486
H          2.51832       -6.12764       -1.98875
H         -0.04219       -2.68112       -1.82605
H          2.41813       -2.58157       -2.72222
H          3.47081       -3.95247       -2.27903
C         -3.63580        2.74537        1.33063
C         -3.91929        4.09073        1.54014
C         -3.10125        4.82157        2.39715
C         -2.01309        4.21947        3.01602
C         -1.73185        2.86878        2.79265
C         -2.55167        2.12468        1.95091
C         -0.54717        2.26622        3.49774
O         -0.25667        0.93451        2.98771
H         -4.75834        4.55948        1.03639
H         -3.30854        5.87367        2.56872
H         -1.36845        4.80271        3.66968
H         -2.34885        1.07535        1.76860
H         -0.75801        2.13885        4.56611
H          0.32760        2.91800        3.40371
Rh         1.29429       -1.72351        1.95740
C          2.59030       -3.52691        2.35090
C          1.36242       -3.98301        1.89558
C         -0.17870       -2.22552        3.60078
C          1.02108       -1.97108        4.23600
C          3.03977       -3.46076        3.78265
H          3.40029       -3.45699        1.62628
C          0.29144       -4.60147        2.76761
H          1.27882       -4.18427        0.82854
C         -0.74063       -3.58560        3.29688
H         -0.88848       -1.40166        3.52109
C          1.94859       -3.03316        4.78023
H          1.18171       -0.96545        4.62187
H          3.87581       -2.75568        3.83568
H          3.44889       -4.44174        4.07265
H         -0.24136       -5.35013        2.17213
H          0.76214       -5.14066        3.59477
H         -1.53552       -3.45905        2.55740
H         -1.22275       -3.98038        4.20483
H          1.35806       -3.89568        5.10189
H          2.43694       -2.63662        5.67622
P          2.29790       -1.47053       -0.05738
O          3.60954       -0.50143       -0.01445
O          1.46134       -0.89846       -1.34707
C          4.40297       -0.48694       -1.16988
C          1.51439        0.39637       -1.84673
C          5.62252       -1.17927       -1.10637
C          3.96445        0.19155       -2.28793
C          2.70362        0.96756       -2.26049
C          0.26876        1.03026       -1.98605
C          6.43182       -1.20773       -2.21082
H          5.90023       -1.66960       -0.17850
C          4.75820        0.08048       -3.47895
C          2.65949        2.33991       -2.68124
C          0.20908        2.29954       -2.49166
H         -0.62436        0.49811       -1.67787
C          6.01575       -0.60292       -3.42147
H          7.38947       -1.72065       -2.17844
C          4.32538        0.57787       -4.73359
C          1.39658        2.99870       -2.81524
C          3.83383        3.09163       -2.93352
H         -0.74932        2.79883       -2.60884
C          6.81147       -0.69501       -4.58976
C          5.11277        0.45273       -5.85389
H          3.35320        1.05202       -4.81279
C          1.35616        4.35306       -3.22510
C          3.76235        4.41246       -3.31038
H          4.80288        2.62220       -2.80371
C          6.37531       -0.17177       -5.78198
H          7.77008       -1.20401       -4.52447
H          4.75480        0.83357       -6.80638
C          2.51454        5.05005       -3.46946
H          0.38637        4.83510       -3.32318
H          4.67814        4.97182       -3.48108
H          6.99014       -0.25324       -6.67382
H          2.47414        6.09243       -3.77263
P          1.10022        0.49449        2.25548
O          2.18905        1.19990        3.27745
O          1.28649        1.41802        0.92037
C          3.50514        1.20725        2.80130
C          1.63137        2.77215        0.97258
C          4.39038        0.26015        3.33913
C          3.86791        2.13172        1.84303
C          2.88938        3.15067        1.40220
C          0.66493        3.68311        0.51454
C          5.67814        0.20872        2.87340
H          4.03479       -0.40697        4.11810
C          5.18516        2.03099        1.29175
C          3.17500        4.55444        1.46124
C          0.96010        5.02005        0.49355
H         -0.29353        3.30491        0.17696
C          6.09849        1.06697        1.82840
H          6.38294       -0.51042        3.28290
C          5.60452        2.80722        0.18389
C          2.20654        5.48965        0.97147
C          4.36912        5.06571        2.02885
H          0.23021        5.73678        0.12610
C          7.40135        0.96660        1.28187
C          6.86869        2.66761       -0.33947
H          4.91182        3.51007       -0.26665
C          2.49912        6.87527        1.00263
C          4.61512        6.41821        2.05912
H          5.09409        4.37994        2.45409
C          7.78318        1.75231        0.22187
H          8.08764        0.23888        1.70840
H          7.16419        3.26534       -1.19758
C          3.68277        7.33319        1.52682
H          1.75847        7.56965        0.61338
H          5.53510        6.78623        2.50480
H          8.78136        1.65983       -0.19684
H          3.89637        8.39804        1.55008
N         -4.46954        1.98096        0.46313
C         -5.87047        1.88587        0.59507
C         -3.99028        1.23247       -0.62374
C         -6.31156        0.99847       -0.50975
O         -6.53842        2.41299        1.45424
C         -5.18343        0.59389       -1.22819
O         -2.83312        1.15235       -0.97387
C         -7.56210        0.51823       -0.83000
C         -5.28888       -0.30201       -2.26849
C         -7.67895       -0.38437       -1.89115
F         -8.65819        0.86195       -0.15925
C         -6.55415       -0.79290       -2.59966
F         -4.23356       -0.73091       -2.95843
F         -8.86902       -0.87782       -2.21847
F         -6.68937       -1.67618       -3.58439
N         -2.23191       -3.98522       -1.15187
C         -2.36551       -2.94348       -0.20995
C         -3.48460       -4.47377       -1.57571
C         -3.82038       -2.79552        0.01576
O         -1.45850       -2.32468        0.30337
C         -4.49268       -3.69886       -0.81171
O         -3.66416       -5.34657       -2.39351
C         -4.51225       -1.98441        0.88662
C         -5.86636       -3.78912       -0.78951
C         -5.90436       -2.08802        0.93419
F         -3.91007       -1.10845        1.69104
C         -6.57438       -2.97457        0.09950
F         -6.54730       -4.62320       -1.57042
F         -6.60180       -1.32153        1.76850
F         -7.90178       -3.03756        0.14619
149
l_tfpi_dimer_rh_cod_23.log
C          0.58365       -4.87962        2.05008
C         -0.18122       -6.04322        1.97354
C         -1.54749       -5.97069        2.21540
C         -2.14681       -4.74536        2.49495
C         -1.37754       -3.58411        2.56618
C          0.00227       -3.65686        2.36510
C         -2.03519       -2.25196        2.76754
O         -2.24324       -1.58842        1.47447
H          0.28742       -6.98827        1.71757
H         -2.14999       -6.87253        2.16310
H         -3.22067       -4.68668        2.65278
H          0.62460       -2.76919        2.44332
H         -1.45193       -1.59525        3.41869
H         -3.04133       -2.36458        3.17700
C         -3.01428        3.92605       -1.79038
C         -2.38805        5.16967       -1.80272
C         -1.00836        5.22903       -1.98463
C         -0.26606        4.06915       -2.17539
C         -0.90425        2.82585       -2.18402
C         -2.27943        2.75724       -1.98381
C         -0.13820        1.56286       -2.43949
O          0.86041        1.37908       -1.38135
H         -2.96515        6.07755       -1.66589
H         -0.51370        6.19586       -1.98588
H          0.80898        4.12722       -2.32735
H         -2.77740        1.79548       -1.97256
H          0.40249        1.62042       -3.39191
H         -0.81164        0.69846       -2.45874
Rh        -0.06889       -1.77528       -1.02860
C         -2.18049       -2.39286       -1.58287
C         -1.49850       -3.52087       -1.14721
C          0.87108       -2.97887       -2.69710
C          0.10613       -2.00448       -3.31412
C         -2.41994       -1.97578       -3.00626
H         -2.86109       -1.92195       -0.87545
C         -0.98468       -4.61652       -2.05737
H         -1.62197       -3.78864       -0.09787
C          0.47586       -4.41699       -2.50434
H          1.93115       -2.76745       -2.56002
C         -1.24275       -2.24524       -3.95463
H          0.62149       -1.10153       -3.63469
H         -2.64019       -0.90182       -3.00076
H         -3.33133       -2.47206       -3.37628
H         -1.05581       -5.56797       -1.52026
H         -1.64577       -4.70143       -2.92489
H          1.14434       -4.84945       -1.75470
H          0.66186       -4.96947       -3.43839
H         -1.28009       -3.26913       -4.33774
H         -1.33554       -1.58210       -4.82078
P         -1.11985       -0.73014        0.68926
O         -2.00927        0.46734        0.04044
O         -0.39746       -0.00555        1.98193
C         -2.97257        1.09332        0.83996
C         -0.15055        1.35664        2.13654
C         -4.31451        0.81143        0.53966
C         -2.57017        1.96191        1.82961
C         -1.14160        2.31520        1.99942
C          1.15441        1.68129        2.55310
C         -5.30085        1.40396        1.28197
H         -4.54112        0.13405       -0.27851
C         -3.59457        2.50554        2.67857
C         -0.73288        3.69370        2.05133
C          1.52113        2.98817        2.71418
H          1.85174        0.87697        2.74865
C         -4.96966        2.24323        2.37329
H         -6.34782        1.21441        1.05959
C         -3.30363        3.26879        3.83612
C          0.60874        4.02748        2.41806
C         -1.60981        4.75191        1.71149
H          2.52621        3.23872        3.04339
C         -5.98426        2.81140        3.18161
C         -4.31264        3.78966        4.61214
H         -2.26993        3.43571        4.11895
C          1.00079        5.38669        2.47802
C         -1.19486        6.06206        1.75957
H         -2.61661        4.53011        1.38005
C         -5.66559        3.57940        4.27436
H         -7.02252        2.61362        2.92521
H         -4.06357        4.36569        5.49903
C          0.11665        6.38893        2.15969
H          2.02234        5.61820        2.76974
H         -1.88511        6.85166        1.47462
H         -6.45040        4.00860        4.89075
H          0.42793        7.42889        2.20196
P          1.42880       -0.10598       -1.09317
O          2.27255        0.33489        0.23648
O          2.63973       -0.34673       -2.18083
C          3.45869       -0.30809        0.57587
C          3.59410        0.67163       -2.30971
C          3.44695       -1.10600        1.73286
C          4.59932       -0.07227       -0.16728
C          4.54675        0.84789       -1.32509
C          3.53153        1.45491       -3.47331
C          4.60858       -1.69613        2.15469
H          2.51328       -1.24425        2.26872
C          5.79639       -0.76360        0.21125
C          5.43440        1.96620       -1.45398
C          4.43312        2.47236       -3.64546
H          2.77186        1.23274       -4.21669
C          5.80069       -1.55499        1.40477
H          4.61923       -2.30543        3.05513
C          6.97482       -0.73618       -0.57578
C          5.38451        2.76817       -2.63970
C          6.33126        2.34835       -0.42512
H          4.40811        3.08199       -4.54485
C          6.98650       -2.22642        1.79164
C          8.10454       -1.41339       -0.18098
H          6.98013       -0.18422       -1.50987
C          6.27092        3.86482       -2.77546
C          7.16502        3.43056       -0.58092
H          6.35029        1.78634        0.50257
C          8.12038       -2.15280        1.02034
H          6.97301       -2.81631        2.70532
H          8.99243       -1.38621       -0.80657
C          7.15016        4.18732       -1.77115
H          6.22938        4.45476       -3.68776
H          7.83810        3.70998        0.22491
H          9.02272       -2.67835        1.32029
H          7.82196        5.03372       -1.88212
N         -4.41291        3.82820       -1.54273
C         -5.08133        4.51443       -0.50714
C         -5.28260        2.96799       -2.24416
C         -6.48780        4.05944       -0.56823
O         -4.58056        5.29776        0.26826
C         -6.60859        3.13031       -1.60366
O         -4.98092        2.26072       -3.17930
C         -7.56575        4.38299        0.22422
C         -7.81034        2.50903       -1.85811
C         -8.79013        3.76009       -0.03107
F         -7.48954        5.26098        1.22158
C         -8.91086        2.83386       -1.06048
F         -7.96633        1.60760       -2.82574
F         -9.85309        4.05190        0.71294
F        -10.08706        2.25341       -1.28121
N          1.97377       -4.93850        1.75102
C          2.56801       -4.19390        0.72004
C          2.87654       -5.85824        2.32659
C          3.95314       -4.69714        0.60838
O          2.02878       -3.32395        0.06830
C          4.14987       -5.67131        1.59145
O          2.62369       -6.61899        3.23183
C          4.96645       -4.34257       -0.25296
C          5.37180       -6.28929        1.73543
C          6.20543       -4.97359       -0.11970
F          4.81051       -3.42897       -1.20792
C          6.40850       -5.92773        0.87075
F          5.60323       -7.21712        2.66088
F          7.20511       -4.65959       -0.93679
F          7.60285       -6.49999        0.98826
149
l_tfpi_dimer_rh_cod_24.log
C          0.25525       -5.18511       -2.98649
C          1.48823       -5.28458       -3.63038
C          2.64188       -4.94392       -2.93292
C          2.55907       -4.47571       -1.62436
C          1.32089       -4.36955       -0.99408
C          0.16359       -4.75039       -1.67055
C          1.21727       -3.80635        0.38927
O          0.34802       -2.61616        0.43929
H          1.53884       -5.61735       -4.66222
H          3.60845       -5.01930       -3.42258
H          3.45769       -4.16868       -1.09461
H         -0.80539       -4.68686       -1.18331
H          2.20042       -3.55440        0.79293
H          0.71899       -4.50142        1.07106
C         -3.39851        4.66930        2.56852
C         -4.58739        5.02278        1.93322
C         -4.55973        5.33409        0.57770
C         -3.36880        5.25992       -0.13858
C         -2.18306        4.89659        0.50312
C         -2.19675        4.62002        1.86967
C         -0.92613        4.69060       -0.28473
O         -0.92628        3.29258       -0.76709
H         -5.51843        5.04783        2.49008
H         -5.47947        5.61905        0.07557
H         -3.35825        5.47844       -1.20348
H         -1.28087        4.34481        2.38196
H         -0.02855        4.88050        0.30768
H         -0.90658        5.29859       -1.19188
Rh        -1.26049        0.11802       -0.13643
C         -2.45457       -1.43838        0.98700
C         -2.62155       -1.72734       -0.35436
C         -3.07069        1.04654       -1.11207
C         -3.21416        1.26884        0.24479
C         -3.39814       -0.67232        1.86934
H         -1.68360       -1.99046        1.52251
C         -3.83973       -1.39320       -1.18308
H         -1.95308       -2.46885       -0.79027
C         -3.70999       -0.04770       -1.91803
H         -2.63678        1.85286       -1.70246
C         -4.11816        0.49748        1.17704
H         -2.86092        2.22510        0.62857
H         -2.81832       -0.28369        2.71417
H         -4.13510       -1.37003        2.29781
H         -3.96155       -2.17921       -1.93485
H         -4.73418       -1.41428       -0.55608
H         -3.10559       -0.19015       -2.82127
H         -4.69930        0.29162       -2.26350
H         -5.00208        0.15083        0.63646
H         -4.47345        1.18406        1.95240
P          0.58380       -1.17911       -0.22470
O          1.96867       -0.56321        0.38217
O          1.04802       -1.61888       -1.73848
C          3.22085       -1.10114        0.07150
C          1.66361       -0.65147       -2.53028
C          3.93360       -1.67113        1.14098
C          3.72991       -1.00199       -1.20867
C          2.97515       -0.30719       -2.27380
C          0.91035       -0.10533       -3.58163
C          5.17739       -2.19721        0.91781
H          3.48101       -1.67462        2.12734
C          4.98989       -1.63734       -1.47044
C          3.54448        0.75410       -3.04745
C          1.48164        0.84338       -4.38901
H         -0.10654       -0.45421       -3.73515
C          5.72610       -2.21552       -0.38738
H          5.74579       -2.62935        1.73730
C          5.51476       -1.76860       -2.78007
C          2.79462        1.30843       -4.13413
C          4.80728        1.32250       -2.74576
H          0.92296        1.26849       -5.21881
C          6.97474       -2.83224       -0.64463
C          6.72107       -2.39206       -2.99916
H          4.94945       -1.38401       -3.62230
C          3.36510        2.34470       -4.91364
C          5.32039        2.34735       -3.50547
H          5.36974        0.94847       -1.89664
C          7.46889       -2.91410       -1.92360
H          7.52641       -3.25442        0.19182
H          7.09835       -2.48931       -4.01342
C          4.60494        2.85222       -4.61165
H          2.78925        2.74430       -5.74511
H          6.28483        2.77627       -3.24758
H          8.42427       -3.39552       -2.11219
H          5.02932        3.65419       -5.20916
P         -0.10884        2.04945       -0.17377
O          0.29281        2.65365        1.30448
O          1.33607        2.04804       -0.93241
C          1.40914        2.13165        1.95811
C          2.15216        3.17652       -0.80990
C          1.17260        1.33241        3.08756
C          2.67350        2.45252        1.50253
C          2.83185        3.39552        0.37215
C          2.25311        4.01506       -1.93066
C          2.24051        0.81137        3.77112
H          0.14730        1.15454        3.39792
C          3.78710        1.82783        2.14773
C          3.62055        4.58783        0.47248
C          3.06323        5.11797       -1.86800
H          1.69823        3.76185       -2.82806
C          3.56270        1.02539        3.31243
H          2.08140        0.20351        4.65810
C          5.10856        1.92874        1.64518
C          3.75272        5.43792       -0.67358
C          4.24342        4.99220        1.68002
H          3.16968        5.77092       -2.73043
C          4.66857        0.42506        3.96339
C          6.15557        1.30833        2.28437
H          5.28975        2.49462        0.73702
C          4.54682        6.60761       -0.58374
C          4.99383        6.14290        1.73729
H          4.11705        4.38994        2.57327
C          5.94029        0.56553        3.46471
H          4.48593       -0.16804        4.85637
H          7.15885        1.38830        1.87493
C          5.16296        6.95184        0.59423
H          4.64685        7.23486       -1.46619
H          5.45686        6.43529        2.67571
H          6.78018        0.09185        3.96513
H          5.76615        7.85328        0.65431
N         -3.40169        4.31877        3.94714
C         -3.96330        5.10717        4.97084
C         -2.82246        3.13671        4.44568
C         -3.70395        4.36350        6.22789
O         -4.51769        6.17151        4.81905
C         -3.00817        3.19252        5.91325
O         -2.30323        2.26711        3.78028
C         -4.01455        4.67007        7.53354
C         -2.60679        2.32034        6.89958
C         -3.61006        3.78937        8.54063
F         -4.68140        5.76982        7.87594
C         -2.91205        2.62872        8.22732
F         -1.93378        1.20091        6.63882
F         -3.89024        4.05851        9.81223
F         -2.53264        1.81154        9.20545
N         -0.93906       -5.51802       -3.68744
C         -1.17225       -6.75997       -4.30951
C         -2.03311       -4.64455       -3.81898
C         -2.53526       -6.66197       -4.88649
O         -0.40315       -7.69336       -4.33245
C         -3.05107       -5.39724       -4.58826
O         -2.09521       -3.51377       -3.38746
C         -3.28061       -7.57882       -5.59313
C         -4.31626       -5.03525       -4.99229
C         -4.56662       -7.21843       -6.00609
F         -2.82880       -8.79286       -5.89882
C         -5.07875       -5.96105       -5.70890
F         -4.84375       -3.84132       -4.72609
F         -5.31117       -8.08065       -6.69182
F         -6.30546       -5.64264       -6.11202
149
l_tfpi_dimer_rh_cod_25.log
C         -1.59598       -2.98219       -2.24945
C         -1.86305       -2.82686       -3.60758
C         -0.79441       -2.82091       -4.49849
C          0.51505       -2.92430       -4.03840
C          0.77177       -3.07581       -2.67498
C         -0.29410       -3.13774       -1.78410
C          2.20329       -3.12691       -2.20338
O          2.34514       -2.81675       -0.78743
H         -2.88072       -2.69823       -3.95966
H         -0.98543       -2.69758       -5.56041
H          1.34336       -2.86558       -4.74074
H         -0.12333       -3.25474       -0.71994
H          2.82341       -2.45101       -2.80056
H          2.61323       -4.13884       -2.29297
C         -3.91025        2.21802        1.68416
C         -4.58836        3.29664        2.23949
C         -3.96589        4.02745        3.24827
C         -2.69224        3.68384        3.68580
C         -2.01897        2.59858        3.11760
C         -2.63294        1.86103        2.11063
C         -0.63979        2.26009        3.61496
O         -0.26841        0.93305        3.15424
H         -5.58145        3.55971        1.88915
H         -4.48254        4.87104        3.69608
H         -2.21753        4.25740        4.47849
H         -2.13901        1.00338        1.66647
H         -0.61835        2.23330        4.70973
H          0.09142        3.00544        3.28161
Rh         1.23801       -1.66768        1.98805
C          2.50143       -3.51113        2.31212
C          1.26970       -3.95614        1.86510
C         -0.25270       -2.19685        3.59870
C          0.94900       -1.98708        4.24903
C          2.96578       -3.46754        3.73958
H          3.30031       -3.42451        1.57528
C          0.18521       -4.55845        2.72837
H          1.18206       -4.14545        0.79875
C         -0.84423       -3.51589        3.19578
H         -0.94654       -1.35743        3.56026
C          1.88317       -3.06195        4.75749
H          1.10705       -0.99751        4.67631
H          3.80048       -2.76137        3.79756
H          3.38040       -4.45227        4.00766
H         -0.33966       -5.31617        2.13737
H          0.62824       -5.07995        3.58030
H         -1.55371       -3.32158        2.38336
H         -1.43970       -3.91366        4.03267
H          1.30037       -3.93103        5.07357
H          2.38338       -2.68052        5.65334
P          2.09308       -1.38214       -0.09268
O          3.51101       -0.57341       -0.09750
O          1.27328       -0.66099       -1.30549
C          4.24211       -0.58879       -1.29398
C          1.43785        0.62579       -1.78909
C          5.38786       -1.40027       -1.31027
C          3.82115        0.16459       -2.37164
C          2.65555        1.07179       -2.26889
C          0.25742        1.38461       -1.86429
C          6.13092       -1.48596       -2.45752
H          5.66160       -1.93822       -0.40776
C          4.52807       -0.01287       -3.60946
C          2.73151        2.44301       -2.69146
C          0.30408        2.65770       -2.36010
H         -0.66851        0.94122       -1.51359
C          5.70986       -0.82190       -3.63476
H          7.03177       -2.09319       -2.48635
C          4.06923        0.53481       -4.83383
C          1.53946        3.23333       -2.74357
C          3.95917        3.06765       -3.02295
H         -0.60192        3.25441       -2.42582
C          6.42060       -0.97911       -4.85010
C          4.76918        0.34209       -6.00161
H          3.14443        1.10091       -4.85276
C          1.61745        4.58857       -3.14534
C          4.00429        4.39071       -3.39588
H          4.87958        2.49834       -2.95713
C          5.96691       -0.40243       -6.01059
H          7.32495       -1.58270       -4.84677
H          4.39078        0.76302       -6.92901
C          2.82478        5.15997       -3.46753
H          0.70045        5.17196       -3.17903
H          4.96132        4.84987       -3.62855
H          6.51460       -0.53515       -6.93926
H          2.87575        6.20326       -3.76593
P          1.05288        0.53850        2.34577
O          2.19063        1.22666        3.32210
O          1.15918        1.49597        1.02670
C          3.48093        1.20488        2.77586
C          1.54647        2.83941        1.08117
C          4.36740        0.22931        3.25823
C          3.81394        2.12639        1.80399
C          2.83962        3.17701        1.43216
C          0.57567        3.78236        0.70202
C          5.62368        0.14311        2.71855
H          4.03734       -0.43097        4.05401
C          5.09619        1.99342        1.18000
C          3.16741        4.57259        1.48652
C          0.90565        5.11065        0.67620
H         -0.41598        3.43461        0.43256
C          6.00829        0.99665        1.65611
H          6.32958       -0.59883        3.08285
C          5.47918        2.77128        0.06087
C          2.19602        5.53938        1.07003
C          4.40933        5.04464        1.98042
H          0.17280        5.85221        0.36909
C          7.27405        0.86112        1.03549
C          6.70904        2.60172       -0.53103
H          4.78460        3.49848       -0.34545
C          2.52930        6.91573        1.09336
C          4.69525        6.38943        2.00601
H          5.14033        4.33481        2.35203
C          7.62252        1.64940       -0.03425
H          7.95909        0.10675        1.41505
H          6.97586        3.20304       -1.39594
C          3.75708        7.33535        1.54315
H          1.78473        7.63425        0.75945
H          5.65233        6.72697        2.39387
H          8.59270        1.53172       -0.50869
H          4.00183        8.39355        1.56130
N         -4.52623        1.44215        0.65850
C         -5.74684        0.75866        0.80819
C         -3.95400        1.23546       -0.60903
C         -5.96860        0.05834       -0.48180
O         -6.43109        0.74157        1.80695
C         -4.88102        0.32323       -1.31888
O         -2.92287        1.72957       -1.00760
C         -6.97748       -0.78738       -0.88429
C         -4.78457       -0.25910       -2.56223
C         -6.88747       -1.38308       -2.14610
F         -8.02688       -1.07499       -0.11580
C         -5.80169       -1.12419       -2.97520
F         -3.75890       -0.03686       -3.38090
F         -7.83759       -2.21665       -2.55743
F         -5.73174       -1.71386       -4.16475
N         -2.65532       -2.95327       -1.29794
C         -2.62371       -2.18728       -0.11429
C         -3.84588       -3.69909       -1.40938
C         -3.87789       -2.51143        0.60264
O         -1.75047       -1.41229        0.21260
C         -4.62058       -3.39656       -0.18170
O         -4.13848       -4.43537       -2.32392
C         -4.35806       -2.06471        1.81342
C         -5.86221       -3.82978        0.22767
C         -5.61240       -2.50705        2.24067
F         -3.67750       -1.22327        2.59145
C         -6.35794       -3.37837        1.45386
F         -6.61354       -4.65049       -0.50233
F         -6.10293       -2.09357        3.40356
F         -7.55455       -3.77511        1.87382
149
l_tfpi_dimer_rh_cod_26.log
C         -1.15210       -4.75552       -1.03588
C         -0.94660       -6.13163       -0.96427
C          0.30857       -6.63891       -1.28290
C          1.34910       -5.78075       -1.63278
C          1.13597       -4.40317       -1.70186
C         -0.13336       -3.89443       -1.42194
C          2.27417       -3.46435       -1.98106
O          2.77831       -2.93398       -0.70427
H         -1.75329       -6.78958       -0.65579
H          0.48110       -7.71003       -1.23671
H          2.33540       -6.18296       -1.85007
H         -0.32902       -2.83018       -1.48618
H          1.98388       -2.63682       -2.63285
H          3.12799       -3.98833       -2.41609
C         -3.28316        2.66341        1.31226
C         -3.33920        3.77575        2.14706
C         -2.65417        3.74639        3.35850
C         -1.94013        2.61672        3.73656
C         -1.88965        1.50264        2.89452
C         -2.55711        1.52846        1.67334
C         -1.11284        0.28657        3.30580
O          0.26978        0.66514        3.63075
H         -3.91428        4.64869        1.85669
H         -2.69216        4.61068        4.01476
H         -1.41429        2.59847        4.68746
H         -2.50200        0.67795        1.00099
H         -1.13023       -0.48155        2.52240
H         -1.52070       -0.14198        4.22698
Rh         1.82341       -1.97630        2.24021
C          3.23130       -3.76231        2.22570
C          1.95540       -4.25516        2.03209
C          0.75945       -2.64109        4.13378
C          2.06115       -2.36823        4.50365
C          3.99045       -3.72101        3.51987
H          3.84541       -3.60218        1.34099
C          1.11615       -4.94569        3.08141
H          1.63108       -4.39202        1.00143
C          0.16682       -3.98408        3.81779
H          0.02509       -1.85582        4.30259
C          3.13564       -3.40055        4.75854
H          2.25926       -1.37693        4.91007
H          4.77639       -2.96530        3.41617
H          4.50880       -4.68249        3.66139
H          0.50905       -5.70823        2.58190
H          1.76401       -5.47263        3.78660
H         -0.72061       -3.81271        3.19942
H         -0.18996       -4.44708        4.75116
H          2.67660       -4.30804        5.15933
H          3.79782       -3.01541        5.54067
P          2.30019       -1.60387        0.06460
O          3.51121       -0.53124       -0.13123
O          1.16687       -1.07670       -0.99944
C          4.03058       -0.39313       -1.42405
C          0.99262        0.22566       -1.44230
C          5.28981       -0.96614       -1.66039
C          3.30908        0.29331       -2.37829
C          2.01477        0.93335       -2.04825
C         -0.31789        0.72146       -1.32801
C          5.84776       -0.86110       -2.90656
H          5.79828       -1.46936       -0.84411
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C          1.75346        2.30623       -2.37870
C         -0.60335        1.98336       -1.76967
H         -1.07906        0.08037       -0.89410
C          5.13715       -0.23794       -3.96065
H          6.83099       -1.27887       -3.10656
C          3.11592        0.83663       -4.81503
C          0.42379        2.82115       -2.26414
C          2.77887        3.19487       -2.78620
H         -1.61614        2.36939       -1.70811
C          5.67641       -0.19093       -5.26973
C          3.66019        0.84804       -6.07782
H          2.11141        1.21577       -4.66350
C          0.16439        4.17118       -2.60112
C          2.50062        4.50949       -3.08000
H          3.80055        2.83505       -2.84568
C          4.95861        0.34864       -6.30849
H          6.66722       -0.60645       -5.43648
H          3.07954        1.24025       -6.90819
C          1.18146        5.00263       -3.00297
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H          3.30776        5.17605       -3.37116
H          5.37854        0.37486       -7.30997
H          0.97691        6.04143       -3.24621
P          1.46178        0.20352        2.64567
O          2.64648        0.95615        3.49609
O          1.35137        1.14381        1.31347
C          3.85750        1.03313        2.79043
C          1.61067        2.51797        1.36305
C          4.86827        0.12147        3.13243
C          3.99413        1.98987        1.80506
C          2.90246        2.96186        1.57420
C          0.53042        3.37954        1.11832
C          6.04989        0.14421        2.43777
H          4.69317       -0.57705        3.94477
C          5.18967        1.96376        1.01901
C          3.12077        4.37747        1.61793
C          0.74443        4.73207        1.08455
H         -0.45079        2.95473        0.94119
C          6.23025        1.03940        1.35549
H          6.85060       -0.54529        2.69270
C          5.35757        2.77483       -0.12990
C          2.03048        5.26404        1.33903
C          4.37162        4.94591        1.96741
H         -0.07898        5.41111        0.87835
C          7.41300        1.01389        0.57613
C          6.50742        2.70645       -0.88116
H          4.56005        3.44780       -0.42685
C          2.25049        6.66333        1.35255
C          4.54738        6.30943        1.98723
H          5.19859        4.29542        2.23128
C          7.55314        1.83227       -0.51814
H          8.20094        0.31732        0.85228
H          6.60986        3.32917       -1.76583
C          3.48523        7.17879        1.66130
H          1.41488        7.32075        1.12513
H          5.51395        6.72187        2.26311
H          8.45953        1.79633       -1.11597
H          3.64309        8.25352        1.67328
N         -3.95175        2.69408        0.05628
C         -3.81515        3.73995       -0.88073
C         -4.80789        1.67975       -0.40963
C         -4.65665        3.34919       -2.03539
O         -3.12742        4.72666       -0.74528
C         -5.24678        2.11353       -1.75525
O         -5.10962        0.67386        0.19455
C         -4.88222        3.98492       -3.23525
C         -6.08299        1.50659       -2.66486
C         -5.72832        3.37409       -4.16459
F         -4.33166        5.15679       -3.54312
C         -6.32372        2.14993       -3.88199
F         -6.66508        0.33106       -2.43515
F         -5.96916        3.96259       -5.33204
F         -7.12762        1.59272       -4.78225
N         -2.41372       -4.20043       -0.67576
C         -2.57434       -3.25948        0.35626
C         -3.63312       -4.50868       -1.30959
C         -4.02260       -2.96043        0.39936
O         -1.68652       -2.80939        1.04952
C         -4.65583       -3.69279       -0.61050
O         -3.77134       -5.27843       -2.23259
C         -4.73901       -2.13127        1.23176
C         -6.01333       -3.58450       -0.80992
C         -6.11735       -2.01736        1.03446
F         -4.17068       -1.43970        2.21685
C         -6.74514       -2.73127        0.02153
F         -6.65727       -4.25674       -1.76182
F         -6.83987       -1.22130        1.81425
F         -8.05755       -2.59900       -0.15197
149
l_tfpi_dimer_rh_cod_27.log
C         -1.60283       -2.90977       -2.34878
C         -1.87384       -2.73482       -3.70365
C         -0.80794       -2.71895       -4.59778
C          0.50267       -2.83213       -4.14349
C          0.76357       -3.00261       -2.78300
C         -0.29964       -3.07406       -1.88974
C          2.19712       -3.06398       -2.31823
O          2.34467       -2.79160       -0.89552
H         -2.89232       -2.59953       -4.05077
H         -1.00208       -2.58073       -5.65730
H          1.32878       -2.76647       -4.84779
H         -0.12660       -3.20636       -0.82776
H          2.81424       -2.37195       -2.89999
H          2.60759       -4.07266       -2.43711
C         -3.88419        2.22102        1.67960
C         -4.55100        3.29819        2.25096
C         -3.92332        4.00380        3.27435
C         -2.65624        3.63605        3.71117
C         -1.99437        2.55232        3.12691
C         -2.61288        1.84089        2.10408
C         -0.62359        2.18558        3.62751
O         -0.26158        0.86733        3.13552
H         -5.53962        3.57927        1.90188
H         -4.43096        4.84613        3.73466
H         -2.17801        4.18931        4.51610
H         -2.12779        0.98533        1.64633
H         -0.61339        2.12943        4.72134
H          0.11906        2.93153        3.32185
Rh         1.23095       -1.71292        1.90501
C          2.48480       -3.57173        2.18073
C          1.25110       -3.99671        1.71978
C         -0.26454       -2.27778        3.49867
C          0.93729       -2.09209        4.15598
C          2.94618       -3.57201        3.60979
H          3.28588       -3.46996        1.44828
C          0.16331       -4.61699        2.56600
H          1.16360       -4.15597        0.64857
C         -0.86213       -3.58216        3.05833
H         -0.95375       -1.43383        3.48066
C          1.86523       -3.18481        4.63698
H          1.09945       -1.11517        4.60997
H          3.78749       -2.87598        3.68883
H          3.35082       -4.56776        3.85110
H         -0.36360       -5.35759        1.95548
H          0.60384       -5.16078        3.40517
H         -1.56737       -3.36158        2.24897
H         -1.46285       -3.99920        3.88197
H          1.27761       -4.05800        4.93237
H          2.36770       -2.82807        5.54171
P          2.09635       -1.37500       -0.16313
O          3.51783       -0.57309       -0.14095
O          1.28539       -0.61879       -1.36069
C          4.25143       -0.55557       -1.33596
C          1.45375        0.68226       -1.80340
C          5.39339       -1.37153       -1.37400
C          3.83736        0.23296       -2.39099
C          2.67413        1.14025       -2.26463
C          0.27484        1.44484       -1.86005
C          6.14014       -1.42470       -2.52078
H          5.66160       -1.93882       -0.48798
C          4.54827        0.09145       -3.63125
C          2.75375        2.52324       -2.64603
C          0.32505        2.73175       -2.31840
H         -0.65293        0.99244       -1.52609
C          5.72649       -0.72181       -3.67791
H          7.03849       -2.03466       -2.56546
C          4.09642        0.67962       -4.83936
C          1.56273        3.31622       -2.68075
C          3.98361        3.15584       -2.95358
H         -0.57990        3.33146       -2.36951
C          6.44101       -0.84375       -4.89511
C          4.79988        0.52088       -6.01013
H          3.17401        1.24984       -4.84375
C          1.64413        4.68240       -3.04281
C          4.03193        4.48919       -3.28757
H          4.90313        2.58373       -2.89986
C          5.99436       -0.22831       -6.03835
H          7.34284       -1.45100       -4.90782
H          4.42703        0.97304       -6.92500
C          2.85354        5.26153       -3.34250
H          0.72796        5.26770       -3.06307
H          4.99056        4.95367       -3.50235
H          6.54486       -0.33416       -6.96880
H          2.90697        6.31297       -3.61026
P          1.06123        0.48351        2.32424
O          2.19901        1.13306        3.32737
O          1.18467        1.47741        1.03429
C          3.49283        1.11212        2.78944
C          1.58776        2.81381        1.12720
C          4.36640        0.11615        3.25347
C          3.84215        2.05396        1.84294
C          2.88303        3.12585        1.49319
C          0.63023        3.77834        0.76929
C          5.62551        0.03048        2.72022
H          4.02516       -0.55941        4.03152
C          5.12656        1.92207        1.22321
C          3.22796        4.51539        1.58510
C          0.97693        5.10256        0.77893
H         -0.36467        3.45012        0.48768
C          6.02552        0.90503        1.68082
H          6.32153       -0.72703        3.07123
C          5.52371        2.72148        0.12438
C          2.27083        5.50471        1.18886
C          4.47328        4.95904        2.09641
H          0.25453        5.86095        0.48853
C          7.29390        0.77165        1.06502
C          6.75553        2.55364       -0.46400
H          4.83818        3.46409       -0.26930
C          2.62127        6.87572        1.24867
C          4.77606        6.29903        2.15710
H          5.19371        4.23093        2.45292
C          7.65672        1.58125        0.01615
H          7.96920        0.00189        1.43091
H          7.03362        3.17223       -1.31304
C          3.85213        7.26822        1.71426
H          1.88732        7.61187        0.93002
H          5.73538        6.61447        2.55784
H          8.62861        1.46505       -0.45512
H          4.11021        8.32241        1.76005
N         -4.50770        1.46860        0.64089
C         -3.94054        1.28124       -0.63175
C         -5.73038        0.78737        0.78332
C         -4.87433        0.38585       -1.35430
O         -2.90833        1.77742       -1.02497
C         -5.95993        0.11089       -0.51792
O         -6.41065        0.75503        1.78440
C         -4.78508       -0.17556       -2.60778
C         -6.97364       -0.72401       -0.93057
C         -5.80715       -1.02961       -3.03138
F         -3.76146        0.05617       -3.42640
C         -6.89056       -1.29891       -2.20251
F         -8.02116       -1.02034       -0.16282
F         -5.74408       -1.59887       -4.23122
F         -7.84517       -2.12228       -2.62392
N         -2.65935       -2.89353       -1.39384
C         -2.62144       -2.14949       -0.19650
C         -3.85267       -3.63357       -1.51486
C         -3.87499       -2.48146        0.51782
O         -1.74373       -1.38462        0.14227
C         -4.62288       -3.35017       -0.27974
O         -4.15033       -4.35276       -2.44130
C         -4.35008       -2.05456        1.73776
C         -5.86501       -3.78595        0.12551
C         -5.60519       -2.49900        2.16038
F         -3.66326       -1.23121        2.52947
C         -6.35597       -3.35382        1.36056
F         -6.62114       -4.59154       -0.61628
F         -6.09123       -2.10372        3.33144
F         -7.55329       -3.75271        1.77642
149
l_tfpi_dimer_rh_cod_28.log
C         -1.24292       -3.75392       -2.44945
C         -1.51074       -5.11988       -2.55402
C         -1.25991       -5.93726       -1.45968
C         -0.78687       -5.39724       -0.26617
C         -0.54758       -4.02727       -0.15929
C         -0.75188       -3.20682       -1.26852
C         -0.20877       -3.44899        1.18551
O          0.96590       -2.58149        1.13157
H         -1.91445       -5.53254       -3.47193
H         -1.45282       -7.00338       -1.53331
H         -0.61998       -6.04274        0.59232
H         -0.55321       -2.14521       -1.20798
H          0.03174       -4.25383        1.88576
H         -1.06608       -2.88816        1.57898
C         -3.33629        1.25192        3.66150
C         -4.13340        1.29372        4.79728
C         -3.66960        1.98641        5.91324
C         -2.42788        2.60888        5.88557
C         -1.63359        2.56500        4.73559
C         -2.09734        1.88665        3.61220
C         -0.29795        3.26338        4.76946
O          0.47134        3.08738        3.56712
H         -5.09515        0.78933        4.80579
H         -4.27778        2.03079        6.81167
H         -2.06741        3.13683        6.76576
H         -1.52298        1.84745        2.69193
H          0.28872        2.96257        5.64607
H         -0.44748        4.34660        4.84102
Rh         0.95648       -0.37884        3.66724
C          1.95848       -2.35521        4.11706
C          0.61403       -2.49684        4.42133
C          0.42666       -0.00366        5.85007
C          1.80481        0.01363        5.78106
C          3.06183       -2.10929        5.10412
H          2.30118       -2.71614        3.14879
C          0.05083       -2.52310        5.82298
H         -0.04055       -2.90372        3.65575
C         -0.44703       -1.14465        6.28050
H         -0.08724        0.95211        5.81257
C          2.71489       -1.11004        6.22299
H          2.27933        0.98838        5.67813
H          3.92871       -1.74337        4.54599
H          3.36434       -3.07306        5.54323
H         -0.79352       -3.21976        5.84115
H          0.79912       -2.91933        6.51437
H         -1.44868       -0.97006        5.87257
H         -0.55593       -1.11840        7.37617
H          2.25810       -1.62352        7.07378
H          3.64677       -0.66794        6.58960
P          0.94317       -1.00076        1.47780
O          2.29730       -0.53714        0.72294
O         -0.27406       -0.52685        0.47955
C          2.52648       -1.02197       -0.57130
C         -0.21424        0.47628       -0.48122
C          3.53916       -1.98366       -0.69907
C          1.79269       -0.52580       -1.62819
C          0.78388        0.54455       -1.44018
C         -1.30083        1.36871       -0.45146
C          3.83295       -2.48293       -1.93848
H          4.07581       -2.29973        0.18994
C          2.03671       -1.11050       -2.92065
C          0.78912        1.70983       -2.28535
C         -1.38604        2.38032       -1.36636
H         -2.06498        1.22069        0.30322
C          3.08788       -2.07275       -3.06989
H          4.62862       -3.21236       -2.06456
C          1.26328       -0.79534       -4.06588
C         -0.32827        2.60198       -2.27945
C          1.89935        2.04189       -3.10099
H         -2.23832        3.05515       -1.36425
C          3.36197       -2.61853       -4.34808
C          1.55736       -1.34152       -5.29360
H          0.42693       -0.11119       -3.97497
C         -0.32885        3.72795       -3.13741
C          1.88638        3.16557       -3.89427
H          2.78018        1.40924       -3.08263
C          2.62267       -2.25163       -5.44467
H          4.16949       -3.34087       -4.43836
H          0.95603       -1.07269       -6.15750
C          0.75515        4.00638       -3.93402
H         -1.19463        4.38588       -3.12840
H          2.75988        3.40950       -4.49269
H          2.84169       -2.67203       -6.42203
H          0.75349        4.88206       -4.57693
P          1.29489        1.79034        3.07257
O          2.81804        2.34923        3.38817
O          1.20090        2.04435        1.46705
C          3.82301        1.73164        2.63229
C          1.80061        3.16778        0.88981
C          4.61430        0.76186        3.26670
C          3.99444        2.10564        1.31258
C          3.17462        3.20509        0.75865
C          0.94955        4.18052        0.42195
C          5.58091        0.10879        2.54598
H          4.44654        0.55557        4.31891
C          4.94203        1.37179        0.53197
C          3.75386        4.36500        0.14917
C          1.49054        5.26008       -0.22529
H         -0.12030        4.07766        0.56661
C          5.74952        0.37329        1.16526
H          6.21104       -0.63873        3.02120
C          5.06531        1.54644       -0.86884
C          2.89236        5.38084       -0.37864
C          5.15427        4.57336        0.07897
H          0.84772        6.04578       -0.61365
C          6.68558       -0.35492        0.38981
C          5.96548        0.80482       -1.59687
H          4.42827        2.26657       -1.37152
C          3.46000        6.51327       -1.01271
C          5.67269        5.69174       -0.53010
H          5.82525        3.84279        0.51801
C          6.79618       -0.14293       -0.96264
H          7.30298       -1.09974        0.88632
H          6.03315        0.94575       -2.67225
C          4.82226        6.66379       -1.09752
H          2.79158        7.26813       -1.41979
H          6.74949        5.83146       -0.56843
H          7.50923       -0.71483       -1.54981
H          5.24782        7.53741       -1.58305
N         -3.79084        0.53165        2.51374
C         -4.65909        1.06889        1.54647
C         -3.43087       -0.79482        2.23410
C         -4.86565       -0.01862        0.55933
O         -5.11041        2.19166        1.55434
C         -4.14499       -1.14136        0.98162
O         -2.68290       -1.47823        2.90127
C         -5.59757       -0.04647       -0.60594
C         -4.16557       -2.30690        0.25075
C         -5.60996       -1.22321       -1.35857
F         -6.28556        1.00436       -1.04786
C         -4.90379       -2.34037       -0.93372
F         -3.50037       -3.40065        0.61876
F         -6.28403       -1.27489       -2.50429
F         -4.90786       -3.43880       -1.68398
N         -1.53260       -2.89148       -3.54367
C         -2.21727       -1.66882       -3.41068
C         -1.23424       -3.17958       -4.89275
C         -2.35161       -1.13078       -4.78064
O         -2.62053       -1.18643       -2.37401
C         -1.78621       -2.04510       -5.67197
O         -0.63809       -4.15220       -5.29442
C         -2.89053        0.05586       -5.22418
C         -1.75612       -1.78393       -7.02318
C         -2.86634        0.32580       -6.59410
F         -3.42094        0.95756       -4.39956
C         -2.30836       -0.58595       -7.48348
F         -1.21768       -2.62115       -7.90704
F         -3.37771        1.46159       -7.05978
F         -2.29682       -0.30448       -8.78315
149
l_tfpi_dimer_rh_cod_29.log
C         -0.77414       -3.80563        0.56357
C          0.10516       -4.87552        0.70870
C          0.93356       -5.21853       -0.35685
C          0.86597       -4.51911       -1.55679
C         -0.01916       -3.44722       -1.69502
C         -0.83199       -3.08165       -0.62469
C         -0.12785       -2.69819       -2.99108
O          1.03746       -1.85492       -3.25627
H          0.13131       -5.44063        1.63482
H          1.61994       -6.05357       -0.25193
H          1.50072       -4.80537       -2.39188
H         -1.51327       -2.24147       -0.72106
H         -1.03491       -2.08886       -2.99457
H         -0.15654       -3.38466       -3.84137
C         -3.21685        1.05775        1.94211
C         -3.04413        0.76972        3.29409
C         -2.08539        1.47798        4.01076
C         -1.28728        2.42756        3.37831
C         -1.46741        2.70580        2.02358
C         -2.45791        2.03620        1.31140
C         -0.56313        3.69153        1.33352
O         -0.34476        3.34223       -0.06720
H         -3.64010       -0.00039        3.77105
H         -1.93769        1.26137        5.06485
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H         -2.61890        2.24113        0.25884
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H         -1.01774        4.68680        1.28313
Rh        -0.53410        1.14493       -2.44943
C         -2.16077        0.32350       -3.84912
C         -1.01942        0.44773       -4.61050
C         -0.93953        3.10127       -3.42873
C         -1.99016        2.85284       -2.54367
C         -3.35268        1.24139       -3.96315
H         -2.33726       -0.62309       -3.34179
C         -0.71236        1.60042       -5.52181
H         -0.42339       -0.44697       -4.78428
C         -1.04758        2.98868       -4.93895
H         -0.13798        3.74682       -3.06937
C         -3.36020        2.34661       -2.89893
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H         -4.25836        0.63477       -3.85515
H         -3.37845        1.67129       -4.96870
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H         -1.25269        1.45496       -6.46993
H         -0.36703        3.72048       -5.38541
H         -2.05981        3.28821       -5.23099
H         -3.98918        3.18704       -3.23162
H         -3.82334        1.96591       -1.98194
P          1.16589       -0.35182       -2.66976
O          2.11712       -0.49673       -1.34434
O          2.27271        0.10478       -3.80657
C          3.38549       -1.07470       -1.45149
C          3.10025        1.18067       -3.47754
C          3.55986       -2.34395       -0.87778
C          4.40623       -0.37194       -2.06155
C          4.15082        0.98051       -2.60339
C          2.83698        2.41816       -4.08728
C          4.79442       -2.93613       -0.92028
H          2.71463       -2.82333       -0.39794
C          5.67945       -1.01818       -2.18375
C          4.92699        2.12106       -2.22116
C          3.62604        3.49803       -3.78984
H          2.01167        2.49720       -4.78569
C          5.87506       -2.30193       -1.57868
H          4.95094       -3.91084       -0.46501
C          6.75143       -0.45627       -2.92166
C          4.66772        3.38652       -2.83886
C          5.90869        2.06352       -1.20157
H          3.44053        4.46011       -4.26069
C          7.14100       -2.93020       -1.67528
C          7.96259       -1.10080       -3.01086
H          6.60961        0.49070       -3.43170
C          5.43586        4.51505       -2.46115
C          6.62043        3.18330       -0.84020
H          6.08528        1.12610       -0.68545
C          8.16865       -2.34026       -2.36937
H          7.27698       -3.89771       -1.19814
H          8.76770       -0.65371       -3.58737
C          6.39701        4.41792       -1.48471
H          5.23409        5.46626       -2.94804
H          7.36033        3.11704       -0.04697
H          9.13436       -2.83252       -2.44186
H          6.97368        5.29169       -1.19445
P          0.44994        2.04976       -0.61340
O          0.53936        1.19351        0.77932
O          1.98864        2.53601       -0.84166
C          1.65635        0.55671        1.29627
C          2.55367        3.30637        0.18448
C          1.46305       -0.79063        1.64540
C          2.83688        1.23445        1.53956
C          2.93537        2.70100        1.36394
C          2.68691        4.68147       -0.06462
C          2.49643       -1.50784        2.18147
H          0.48788       -1.23384        1.46988
C          3.95709        0.46015        1.99567
C          3.37556        3.55732        2.42940
C          3.19858        5.49129        0.91419
H          2.38604        5.07046       -1.03244
C          3.77467       -0.91841        2.33109
H          2.35205       -2.54724        2.46210
C          5.26326        1.00147        2.08823
C          3.53098        4.95992        2.18379
C          3.60827        3.08081        3.74407
H          3.32613        6.55590        0.73696
C          4.88204       -1.68210        2.77246
C          6.32320        0.22834        2.50127
H          5.43192        2.03463        1.80524
C          3.98109        5.80442        3.22834
C          4.02186        3.93179        4.74201
H          3.44336        2.03289        3.96942
C          6.13420       -1.12298        2.85732
H          4.72179       -2.72755        3.02518
H          7.31831        0.66254        2.54631
C          4.23047        5.30207        4.48167
H          4.10893        6.86364        3.01917
H          4.18418        3.54407        5.74394
H          6.98035       -1.71973        3.18604
H          4.56883        5.95866        5.27820
N         -4.16207        0.32646        1.16878
C         -5.51093        0.13316        1.53141
C         -3.86059       -0.26933       -0.06914
C         -6.11032       -0.64461        0.42212
O         -6.03294        0.53064        2.54814
C         -5.12127       -0.88713       -0.53381
O         -2.77268       -0.27392       -0.60904
C         -7.37518       -1.16797        0.27904
C         -5.38355       -1.65931       -1.64234
C         -7.65362       -1.93933       -0.85169
F         -8.33577       -0.98138        1.18091
C         -6.66857       -2.18101       -1.80314
F         -4.45932       -1.93692       -2.56111
F         -8.86584       -2.45759       -1.02295
F         -6.95939       -2.92198       -2.86839
N         -1.64743       -3.45302        1.63271
C         -1.22761       -3.22822        2.95887
C         -3.04382       -3.33962        1.49521
C         -2.46238       -2.92321        3.71956
O         -0.08652       -3.28136        3.35821
C         -3.55121       -3.00468        2.84715
O         -3.67116       -3.49790        0.47069
C         -2.64276       -2.61149        5.04827
C         -4.83403       -2.79012        3.29934
C         -3.94157       -2.38487        5.51137
F         -1.63242       -2.51868        5.90921
C         -5.02666       -2.47619        4.64692
F         -5.90178       -2.87325        2.50588
F         -4.14910       -2.08254        6.78890
F         -6.25279       -2.26127        5.11163
149
l_tfpi_dimer_rh_cod_3.log
C          2.69047       -2.54416       -1.43797
C          2.61387       -1.57611       -2.43553
C          1.41214       -1.39283       -3.11382
C          0.29653       -2.15001       -2.78370
C          0.36237       -3.08317       -1.74603
C          1.56703       -3.28880       -1.07719
C         -0.83682       -3.91282       -1.39519
O         -1.94953       -3.15757       -0.80973
H          3.48542       -0.98294       -2.68996
H          1.35650       -0.65722       -3.91082
H         -0.62847       -2.03508       -3.34111
H          1.63356       -4.04443       -0.30060
H         -0.56136       -4.72311       -0.71637
H         -1.28326       -4.34845       -2.29308
C         -1.73755        4.01365       -0.87646
C         -0.81660        5.05359       -0.97929
C          0.17906        5.16740       -0.01729
C          0.24741        4.25320        1.03113
C         -0.68580        3.22202        1.13333
C         -1.68496        3.09904        0.16579
C         -0.64768        2.29423        2.31063
O         -0.75620        0.88732        1.91510
H         -0.88536        5.75870       -1.80288
H          0.91025        5.96717       -0.08834
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H         -2.41590        2.29716        0.22212
H         -1.52459        2.44801        2.94870
H          0.25528        2.44995        2.90396
Rh        -0.31211       -2.28731        2.09029
C         -0.43667       -4.55008        2.26232
C         -1.47968       -4.05215        3.01670
C          0.11557       -1.98358        4.28425
C          1.18681       -2.67531        3.74474
C          0.90476       -4.99961        2.76261
H         -0.68273       -4.88812        1.25757
C         -1.50509       -3.94196        4.52463
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C         -1.03202       -2.57488        5.04950
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C          1.46433       -4.14993        3.91592
H          2.03463       -2.09194        3.39764
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H          0.83681       -6.05628        3.06598
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H         -0.90947       -4.75041        4.95635
H         -1.86170       -1.86138        5.00496
H         -0.75277       -2.65528        6.11200
H          1.07808       -4.49381        4.87896
H          2.55009       -4.28678        3.94508
P         -1.82052       -2.10913        0.40958
O         -1.90030       -0.63177       -0.30129
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C         -3.01573       -0.25695       -1.04991
C         -3.90581       -1.25810        1.67679
C         -2.83198       -0.10647       -2.43443
C         -4.21291        0.01646       -0.41483
C         -4.30224       -0.08836        1.05813
C         -4.03835       -1.47559        3.05835
C         -3.89537        0.25288       -3.21960
H         -1.84573       -0.26917       -2.85348
C         -5.34474        0.33953       -1.23278
C         -4.75539        0.98754        1.88778
C         -4.52838       -0.47281        3.85410
H         -3.76507       -2.43845        3.47367
C         -5.17526        0.45401       -2.65035
H         -3.76936        0.37176       -4.29295
C         -6.64943        0.49897       -0.70154
C         -4.86859        0.78399        3.30099
C         -5.04714        2.27433        1.37261
H         -4.64334       -0.62812        4.92373
C         -6.29360        0.75956       -3.46328
C         -7.71410        0.79846       -1.51874
H         -6.81111        0.37240        0.36354
C         -5.31058        1.84903        4.12406
C         -5.45749        3.29258        2.19976
H         -4.93597        2.45902        0.31060
C         -7.53784        0.94047       -2.91100
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H         -8.70504        0.91356       -1.08838
C         -5.60271        3.07858        3.58663
H         -5.40291        1.67404        5.19321
H         -5.66400        4.27237        1.77936
H         -8.38947        1.17603       -3.54329
H         -5.93590        3.89084        4.22649
P          0.40625       -0.18417        1.67638
O          1.59062        0.54727        2.55968
O          1.00538       -0.11151        0.16855
C          2.94619        0.30216        2.35930
C          1.62633        1.02273       -0.35353
C          3.65441       -0.19540        3.46825
C          3.56293        0.65053        1.17169
C          2.85502        1.42237        0.12833
C          0.97897        1.64126       -1.43651
C          4.99918       -0.43122        3.36502
H          3.12035       -0.35896        4.39916
C          4.93808        0.26988        1.01072
C          3.41327        2.63093       -0.41464
C          1.56785        2.71830       -2.04080
H          0.02979        1.24303       -1.77963
C          5.66583       -0.24131        2.13149
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C          5.60661        0.35662       -0.23614
C          2.77715        3.25353       -1.53476
C          4.55214        3.26383        0.14222
H          1.08697        3.19691       -2.88873
C          7.03862       -0.55968        1.98460
C          6.93168        0.00813       -0.35368
H          5.06100        0.69385       -1.11128
C          3.33728        4.42978       -2.08949
C          5.05837        4.41981       -0.40552
H          5.02172        2.84201        1.02436
C          7.66469       -0.43012        0.76945
H          7.58150       -0.92531        2.85340
H          7.41898        0.06954       -1.32315
C          4.46044        5.00094       -1.54257
H          2.84465        4.88324       -2.94633
H          5.92461        4.89360        0.04794
H          8.71602       -0.68350        0.66375
H          4.87774        5.90852       -1.96954
N         -2.76623        3.89884       -1.86291
C         -4.07367        4.37733       -1.67728
C         -2.54435        3.44504       -3.17331
C         -4.76348        4.15270       -2.97039
O         -4.50327        4.87960       -0.66268
C         -3.84395        3.60776       -3.87128
O         -1.49502        3.02193       -3.60527
C         -6.06614        4.38995       -3.34581
C         -4.21673        3.29965       -5.15947
C         -6.44952        4.08480       -4.65378
F         -6.97668        4.88691       -2.51118
C         -5.53475        3.54720       -5.55064
F         -3.37561        2.76607       -6.04421
F         -7.70465        4.28863       -5.04440
F         -5.92937        3.24849       -6.78563
N          3.94065       -2.80927       -0.81272
C          4.11284       -3.03812        0.56489
C          5.14018       -3.01578       -1.53042
C          5.53324       -3.41843        0.73515
O          3.25360       -2.94394        1.41382
C          6.15044       -3.39519       -0.51642
O          5.27657       -2.91824       -2.72825
C          6.24760       -3.73357        1.86848
C          7.48789       -3.69329       -0.65174
C          7.60115       -4.04917        1.73860
F          5.70374       -3.74075        3.08462
C          8.21540       -4.02813        0.49200
F          8.11687       -3.66365       -1.82469
F          8.31942       -4.35497        2.81611
F          9.51085       -4.31498        0.39791
149
l_tfpi_dimer_rh_cod_31.log
C          1.19146       -4.57253        1.92328
C          0.80523       -5.37154        3.00187
C          0.26723       -4.76239        4.12958
C          0.08484       -3.38061        4.17809
C          0.46350       -2.59416        3.09294
C          1.02788       -3.19417        1.96936
C          0.25695       -1.10719        3.08538
O         -0.47415       -0.81424        1.84859
H          0.91545       -6.44929        2.95743
H         -0.03588       -5.37715        4.97193
H         -0.36133       -2.91859        5.05500
H          1.31854       -2.58723        1.12217
H          1.20580       -0.56101        3.07716
H         -0.34401       -0.77996        3.93851
C         -2.70006        4.21136       -0.30620
C         -2.25584        5.50985       -0.06474
C         -1.14593        5.98299       -0.75811
C         -0.49975        5.17845       -1.69145
C         -0.95619        3.88171       -1.93562
C         -2.05636        3.39629       -1.23307
C         -0.27392        3.00671       -2.94327
O          0.84231        2.27166       -2.32996
H         -2.77386        6.14321        0.64757
H         -0.79375        6.99366       -0.57448
H          0.35862        5.55891       -2.23963
H         -2.40805        2.38140       -1.40913
H          0.18920        3.60231       -3.73395
H         -0.98473        2.30756       -3.39469
Rh        -1.17350       -0.06284       -1.11614
C         -3.42933       -0.28933       -0.67055
C         -2.78824       -1.36025       -0.08698
C         -1.53224       -1.64286       -2.70323
C         -2.00086       -0.43376       -3.19277
C         -4.23016       -0.34908       -1.94929
H         -3.59368        0.58040       -0.03386
C         -2.61239       -2.73355       -0.66205
H         -2.57540       -1.29493        0.97745
C         -2.39880       -2.76853       -2.18457
H         -0.51618       -1.92287       -2.97490
C         -3.42220        0.05271       -3.19292
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H         -1.74594       -3.18802       -0.16962
H         -3.48228       -3.35173       -0.38959
H         -1.90754       -3.71349       -2.43696
H         -3.35651       -2.76003       -2.71183
H         -3.92802       -0.30582       -4.10290
H         -3.40046        1.14605       -3.26916
P         -0.57847        0.53660        0.99671
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O          0.81595        1.26247        1.46520
C         -1.58780        1.71303        3.08098
C          0.94365        2.64515        1.60712
C         -2.51272        1.05862        3.90943
C         -0.61017        2.56597        3.54797
C          0.24830        3.30999        2.60032
C          1.87859        3.27775        0.76985
C         -2.43478        1.23727        5.26588
H         -3.27269        0.42720        3.45831
C         -0.45963        2.67930        4.96936
C          0.39081        4.73582        2.66874
C          2.08732        4.62556        0.89295
H          2.42403        2.68161        0.04814
C         -1.40157        2.02554        5.82827
H         -3.14954        0.75315        5.92630
C          0.61534        3.38292        5.56744
C          1.33640        5.38989        1.81638
C         -0.40669        5.53820        3.52191
H          2.81459        5.12636        0.25903
C         -1.26817        2.15492        7.23261
C          0.72596        3.47369        6.93488
H          1.36688        3.84578        4.93678
C          1.48183        6.79714        1.88634
C         -0.25377        6.90407        3.55334
H         -1.16417        5.06849        4.13780
C         -0.23064        2.87039        7.77786
H         -1.99915        1.66359        7.87014
H          1.56339        4.01129        7.37088
C          0.70600        7.54229        2.73980
H          2.21069        7.27565        1.23653
H         -0.88545        7.49948        4.20688
H         -0.13389        2.95979        8.85613
H          0.81830        8.62209        2.78134
P          0.73793        0.69477       -2.01579
O          2.18661        0.64944       -1.25352
O          1.08243       -0.08086       -3.42009
C          2.95309       -0.51401       -1.25882
C          2.23486        0.29148       -4.12014
C          3.14522       -1.14867       -0.02197
C          3.56897       -0.92987       -2.42532
C          3.46949       -0.10605       -3.65037
C          2.05278        1.03136       -5.29907
C          3.94317       -2.26125        0.04729
H          2.67464       -0.72475        0.85951
C          4.31495       -2.15187       -2.38213
C          4.62851        0.36099       -4.35455
C          3.15179        1.41022       -6.02440
H          1.04470        1.28178       -5.61560
C          4.52961       -2.79871       -1.12245
H          4.12044       -2.75200        1.00118
C          4.84106       -2.76329       -3.54799
C          4.45656        1.10587       -5.56615
C          5.94697        0.16315       -3.87327
H          3.03406        1.97196       -6.94724
C          5.32262       -3.97182       -1.06973
C          5.59119       -3.91235       -3.46416
H          4.64395       -2.31843       -4.51801
C          5.59808        1.55554       -6.27428
C          7.03316        0.62879       -4.57627
H          6.10016       -0.35066       -2.93056
C          5.85612       -4.51117       -2.21360
H          5.49155       -4.44074       -0.10299
H          5.98213       -4.36642       -4.37065
C          6.86280        1.31584       -5.79614
H          5.44979        2.10759       -7.19909
H          8.03377        0.47169       -4.18306
H          6.46317       -5.41105       -2.16347
H          7.73187        1.66894       -6.34394
N         -3.82900        3.69779        0.38947
C         -3.98837        3.75124        1.78874
C         -4.89349        3.02305       -0.23571
C         -5.23827        3.01018        2.07442
O         -3.23960        4.29404        2.56797
C         -5.77836        2.56982        0.86341
O         -5.03467        2.87120       -1.42925
C         -5.85225        2.71823        3.27146
C         -6.94060        1.83279        0.83425
C         -7.03211        1.97001        3.24978
F         -5.36983        3.11840        4.44577
C         -7.56995        1.53203        2.04497
F         -7.48347        1.38804       -0.29751
F         -7.65175        1.67025        4.38737
F         -8.69134        0.81739        2.05239
N          1.75453       -5.15813        0.75451
C          1.43938       -4.75991       -0.56160
C          2.73040       -6.17896        0.77027
C          2.27278       -5.60342       -1.44553
O          0.63694       -3.90918       -0.87932
C          3.02649       -6.47025       -0.65131
O          3.22367       -6.67194        1.75893
C          2.40702       -5.59876       -2.81501
C          3.91165       -7.35745       -1.21989
C          3.30566       -6.49450       -3.39850
F          1.72578       -4.76871       -3.60332
C          4.04552       -7.36781       -2.61021
F          4.66012       -8.18967       -0.49901
F          3.47282       -6.50535       -4.71772
F          4.90781       -8.19857       -3.18946
149
l_tfpi_dimer_rh_cod_32.log
C          1.67657       -6.61239       -1.40364
C          1.41965       -7.62949       -0.48725
C          1.76494       -7.43790        0.84664
C          2.33095       -6.23610        1.26067
C          2.57824       -5.21786        0.33759
C          2.26436       -5.41626       -1.00675
C          3.07755       -3.88423        0.80085
O          1.90517       -3.08586        1.22019
H          0.95130       -8.55274       -0.81367
H          1.57697       -8.22798        1.56744
H          2.57899       -6.08231        2.30801
H          2.45884       -4.63821       -1.73762
H          3.63187       -3.35634        0.02186
H          3.69256       -3.96837        1.69956
C         -2.88322        5.07891        1.56516
C         -2.97744        5.78840        0.36838
C         -3.34500        5.11617       -0.79187
C         -3.58769        3.74807       -0.76795
C         -3.46542        3.03676        0.42743
C         -3.12683        3.70724        1.60140
C         -3.71232        1.55878        0.45327
O         -2.68883        0.81534       -0.30663
H         -2.76274        6.85056        0.34262
H         -3.42565        5.66773       -1.72397
H         -3.86501        3.22589       -1.68036
H         -3.04973        3.16101        2.53469
H         -4.64308        1.30228       -0.05983
H         -3.75537        1.18350        1.47896
Rh        -1.07713       -1.93779        0.58159
C         -1.09858       -3.80276        1.85798
C         -1.05204       -4.24810        0.55198
C         -3.06077       -2.36750       -0.39300
C         -3.32341       -2.15869        0.94963
C         -2.31937       -3.67772        2.72406
H         -0.15002       -3.72989        2.38963
C         -2.21812       -4.78029       -0.24583
H         -0.06858       -4.47585        0.14269
C         -2.91041       -3.69196       -1.08479
H         -3.19594       -1.51921       -1.06373
C         -3.59080       -3.23472        1.97787
H         -3.62989       -1.15527        1.24092
H         -2.09342       -2.94917        3.51145
H         -2.49714       -4.63611        3.23691
H         -1.83781       -5.54532       -0.93056
H         -2.92891       -5.27590        0.41983
H         -2.33103       -3.52502       -1.99962
H         -3.90383       -4.04003       -1.40954
H         -4.08629       -4.08675        1.50624
H         -4.29476       -2.83457        2.71465
P          1.17020       -1.92585        0.39526
O          1.96290       -0.54126        0.73700
O          1.72911       -2.26049       -1.11773
C          3.31487       -0.43242        0.40086
C          1.71279       -1.23759       -2.06653
C          4.23781       -0.47488        1.45783
C          3.67519       -0.25426       -0.92073
C          2.63629       -0.21430       -1.97497
C          0.76578       -1.33737       -3.09741
C          5.57290       -0.33485        1.18488
H          3.87015       -0.60232        2.47080
C          5.07442       -0.18536       -1.22292
C          2.52587        0.86075       -2.91272
C          0.71929       -0.35957       -4.05694
H          0.09789       -2.19329       -3.11430
C          6.02426       -0.19796       -0.14990
H          6.30258       -0.34653        1.99042
C          5.56832       -0.15103       -2.55135
C          1.57523        0.76554       -3.97965
C          3.28627        2.05097       -2.79514
H          0.00406       -0.42343       -4.87299
C          7.40718       -0.10784       -0.44395
C          6.91837       -0.08097       -2.80241
H          4.87130       -0.19052       -3.38140
C          1.48012        1.82119       -4.91965
C          3.14795        3.06972       -3.70788
H          3.97578        2.16085       -1.96428
C          7.84840       -0.04218       -1.74260
H          8.11332       -0.10565        0.38283
H          7.27275       -0.06189       -3.82929
C          2.25288        2.94909       -4.79205
H          0.76420        1.72831       -5.73289
H          3.73149        3.97878       -3.59100
H          8.91124        0.02217       -1.95773
H          2.16448        3.75817       -5.51167
P         -1.28492        0.28240        0.27181
O         -1.19024        1.21677        1.61779
O         -0.17048        0.92888       -0.71815
C          0.06918        1.48878        2.15082
C         -0.03433        2.31643       -0.81745
C          0.38339        0.88705        3.37825
C          0.91343        2.35477        1.48568
C          0.47514        3.03627        0.24591
C         -0.37297        2.89098       -2.05245
C          1.59927        1.14167        3.95622
H         -0.35148        0.24098        3.84939
C          2.22621        2.53804        2.02802
C          0.53476        4.46242        0.10402
C         -0.21973        4.23998       -2.22813
H         -0.73905        2.24805       -2.84600
C          2.55246        1.95094        3.29279
H          1.85648        0.70151        4.91622
C          3.24513        3.23639        1.33265
C          0.20642        5.05874       -1.15559
C          0.84997        5.31892        1.18770
H         -0.46458        4.70165       -3.18124
C          3.84421        2.15080        3.83915
C          4.49896        3.38538        1.87708
H          3.03369        3.64665        0.35062
C          0.25588        6.46758       -1.29174
C          0.86376        6.68501        1.02935
H          1.06099        4.88783        2.15959
C          4.79907        2.85733        3.15051
H          4.07040        1.71105        4.80773
H          5.26778        3.91207        1.31831
C          0.57767        7.26792       -0.22291
H          0.00942        6.90346       -2.25698
H          1.09211        7.32147        1.88024
H          5.79081        2.99428        3.57241
H          0.59934        8.34841       -0.33433
N         -2.51989        5.76489        2.75773
C         -1.60508        5.27406        3.71233
C         -3.02712        7.02996        3.12276
C         -1.50191        6.32910        4.74645
O         -1.03211        4.20881        3.66899
C         -2.34703        7.38252        4.39043
O         -3.85944        7.66470        2.51558
C         -0.74399        6.38703        5.89422
C         -2.44682        8.50683        5.17887
C         -0.83879        7.52527        6.69903
F          0.07101        5.40347        6.27107
C         -1.67990        8.57380        6.34490
F         -3.23616        9.53413        4.87249
F         -0.12000        7.61228        7.81490
F         -1.74879        9.64746        7.12679
N          1.30799       -6.77881       -2.76845
C          0.46160       -5.89137       -3.45662
C          1.72995       -7.84981       -3.57928
C          0.33847       -6.44365       -4.82567
O         -0.05428       -4.89929       -2.98917
C          1.09467       -7.61739       -4.89921
O          2.46466       -8.74738       -3.23603
C         -0.36983       -5.98976       -5.91539
C          1.15313       -8.34764       -6.06468
C         -0.31630       -6.72669       -7.10111
F         -1.10282       -4.87806       -5.88465
C          0.43699       -7.89250       -7.17518
F          1.85718       -9.47172       -6.17505
F         -0.99234       -6.31778       -8.17101
F          0.46722       -8.57861       -8.31363
149
l_tfpi_dimer_rh_cod_33.log
C         -1.26791       -3.76697       -2.31761
C         -1.51770       -5.13862       -2.39020
C         -1.23979       -5.93017       -1.28361
C         -0.75624       -5.36012       -0.10845
C         -0.53625       -3.98489       -0.03202
C         -0.76987       -3.18926       -1.15381
C         -0.17819       -3.37638        1.29444
O          1.00853       -2.52625        1.20773
H         -1.92815       -5.57604       -3.29337
H         -1.41899       -7.00004       -1.33333
H         -0.56673       -5.98586        0.75989
H         -0.58824       -2.12369       -1.11651
H          0.05980       -4.16657        2.01185
H         -1.02391       -2.79549        1.68349
C         -3.21676        1.34226        3.65400
C         -4.01014        1.40790        4.79132
C         -3.54752        2.13227        5.88741
C         -2.31063        2.76293        5.83874
C         -1.51930        2.69379        4.68793
C         -1.98212        1.98345        3.58382
C         -0.18878        3.40256        4.70175
O          0.58389        3.20086        3.50586
H         -4.96837        0.89741        4.81578
H         -4.15326        2.19630        6.78631
H         -1.95058        3.31564        6.70377
H         -1.41030        1.92290        2.66309
H          0.39963        3.13069        5.58654
H         -0.34668        4.48616        4.74343
Rh         1.07542       -0.26142        3.68568
C          2.07869       -2.23114        4.16207
C          0.74036       -2.35988        4.49654
C          0.58853        0.16972        5.86800
C          1.96523        0.17879        5.77216
C          3.20226       -1.96470        5.12062
H          2.40038       -2.61621        3.19585
C          0.20524       -2.34827        5.90921
H          0.06922       -2.78228        3.75388
C         -0.28226       -0.95739        6.33905
H          0.07878        1.12743        5.81734
C          2.88079       -0.93743        6.22184
H          2.44110        1.14894        5.63654
H          4.05851       -1.61512        4.53618
H          3.51127       -2.91839        5.57686
H         -0.63922       -3.04298        5.96299
H          0.96714       -2.72619        6.59575
H         -1.28897       -0.79065        5.94046
H         -0.37593       -0.90363        7.43512
H          2.44059       -1.42885        7.09423
H          3.82137       -0.48964        6.55813
P          1.00743       -0.93733        1.51436
O          2.34679       -0.50069        0.71873
O         -0.23022       -0.47960        0.53438
C          2.54573       -1.01497       -0.56871
C         -0.18718        0.49803       -0.45322
C          3.55325       -1.98198       -0.69722
C          1.79032       -0.53997       -1.61995
C          0.78982        0.53872       -1.43509
C         -1.26965        1.39491       -0.42149
C          3.81833       -2.50972       -1.93134
H          4.10889       -2.27938        0.18654
C          2.00357       -1.15505       -2.90378
C          0.77989        1.68368       -2.30802
C         -1.37281        2.38422       -1.35828
H         -2.01538        1.26731        0.35458
C          3.04893       -2.12328       -3.05476
H          4.60976       -3.24355       -2.05862
C          1.20485       -0.86421       -4.03796
C         -0.33444        2.57993       -2.29914
C          1.87238        1.99205       -3.15623
H         -2.22297        3.06174       -1.35328
C          3.29290       -2.69854       -4.32612
C          1.46960       -1.43908       -5.25922
H          0.37162       -0.17669       -3.94350
C         -0.35039        3.68543       -3.18317
C          1.84549        3.09700       -3.97520
H          2.75126        1.35657       -3.14387
C          2.52977       -2.35465       -5.41376
H          4.09681       -3.42467       -4.41827
H          0.84899       -1.18865       -6.11498
C          0.71664        3.94116       -4.00970
H         -1.21385        4.34634       -3.17062
H          2.70613        3.32308       -4.59873
H          2.72579       -2.79755       -6.38605
H          0.70389        4.80180       -4.67247
P          1.39906        1.89181        3.03068
O          2.92742        2.45885        3.30297
O          1.27605        2.10263        1.42068
C          3.91708        1.81960        2.54435
C          1.86347        3.21158        0.80427
C          4.71888        0.86492        3.18845
C          4.06330        2.15813        1.21206
C          3.23458        3.24444        0.64572
C          1.00383        4.21398        0.33002
C          5.66934        0.19031        2.46600
H          4.57203        0.68683        4.24890
C          4.99308        1.40110        0.43235
C          3.80257        4.38827       -0.00319
C          1.53282        5.27761       -0.35263
H         -0.06294        4.11583        0.49869
C          5.81051        0.41722        1.07560
H          6.30726       -0.54605        2.94818
C          5.08870        1.53875       -0.97474
C          2.93139        5.39261       -0.53724
C          5.20146        4.59261       -0.10713
H          0.88311        6.05519       -0.74584
C          6.72875       -0.33420        0.30101
C          5.97217        0.77541       -1.70079
H          4.44363        2.24755       -1.48341
C          3.48711        6.50882       -1.20944
C          5.70844        5.69541       -0.75313
H          5.88042        3.87145        0.33516
C          6.81271       -0.15817       -1.05850
H          7.35411       -1.06770        0.80439
H          6.01867        0.88784       -2.78064
C          4.84752        6.65507       -1.32581
H          2.81125        7.25475       -1.62068
H          6.78437        5.83223       -0.81742
H          7.51234       -0.74754       -1.64452
H          5.26390        7.51640       -1.84041
N         -3.67091        0.58533        2.52923
C         -4.48883        1.10614        1.51091
C         -3.37710       -0.77299        2.33934
C         -4.73500       -0.02922        0.58807
O         -4.87944        2.24940        1.43931
C         -4.07870       -1.15793        1.09144
O         -2.68314       -1.45196        3.06639
C         -5.43892       -0.09073       -0.59306
C         -4.13764       -2.36233        0.42832
C         -5.49388       -1.30845       -1.27453
F         -6.05476        0.96556       -1.12008
C         -4.85311       -2.43128       -0.76836
F         -3.52989       -3.46110        0.87337
F         -6.13401       -1.39345       -2.43748
F         -4.89099       -3.56930       -1.45644
N         -1.58010       -2.93285       -3.42752
C         -2.25778       -1.70428       -3.31326
C         -1.31034       -3.25648       -4.77509
C         -2.42358       -1.20417       -4.69371
O         -2.63315       -1.19019       -2.28138
C         -1.87788       -2.14238       -5.57222
O         -0.72318       -4.23959       -5.16405
C         -2.97699       -0.03171       -5.15685
C         -1.88037       -1.91877       -6.93054
C         -2.98684        0.19963       -6.53397
F         -3.49322        0.88969       -4.34516
C         -2.44719       -0.73532       -7.41056
F         -1.35993       -2.77841       -7.80354
F         -3.51293        1.32052       -7.01884
F         -2.46843       -0.49078       -8.71752
149
l_tfpi_dimer_rh_cod_34.log
C         -1.40375       -3.36960       -2.18079
C         -1.51885       -3.47593       -3.56330
C         -0.35602       -3.60152       -4.31806
C          0.89339       -3.58566       -3.70595
C          0.99753       -3.47227       -2.31786
C         -0.16107       -3.38875       -1.55462
C          2.37013       -3.42674       -1.69466
O          2.35285       -2.95614       -0.31688
H         -2.49303       -3.44823       -4.04045
H         -0.42641       -3.68353       -5.39863
H          1.79435       -3.64569       -4.31223
H         -0.11195       -3.30277       -0.47512
H          3.04060       -2.80748       -2.29873
H          2.80175       -4.43131       -1.62632
C         -3.61984        2.84462        0.85199
C         -4.17033        4.09600        1.09407
C         -3.53344        4.93782        2.00366
C         -2.37240        4.53028        2.64934
C         -1.82771        3.26725        2.39728
C         -2.45714        2.42008        1.49222
C         -0.57186        2.86360        3.12169
O         -0.28673        1.46092        2.87212
H         -5.07557        4.40523        0.58040
H         -3.94899        5.92003        2.20806
H         -1.88520        5.19473        3.35944
H         -2.06297        1.43057        1.28543
H         -0.69858        2.96923        4.20481
H          0.27310        3.49224        2.81854
Rh         1.07460       -1.38041        2.17133
C          2.11246       -3.27489        2.84553
C          0.89744       -3.67165        2.31952
C         -0.62447       -1.58461        3.64677
C          0.51804       -1.39157        4.40153
C          2.42898       -3.08751        4.30136
H          2.98522       -3.33956        2.19509
C         -0.32042       -4.06553        3.12152
H          0.89858       -3.98252        1.27870
C         -1.29048       -2.89173        3.33207
H         -1.22988       -0.70390        3.43344
C          1.29328       -2.46268        5.13568
H          0.71854       -0.37185        4.72884
H          3.32053       -2.45623        4.37168
H          2.71156       -4.06213        4.72974
H         -0.84988       -4.85248        2.57420
H         -0.01752       -4.49983        4.07723
H         -1.88380       -2.74770        2.42212
H         -2.01080       -3.12870        4.13108
H          0.60441       -3.23251        5.49266
H          1.73790       -2.00759        6.02635
P          2.12325       -1.43267        0.16213
O          3.57638       -0.69188        0.19251
O          1.45886       -0.85167       -1.21254
C          4.40597       -0.86343       -0.92475
C          1.71159        0.37732       -1.80211
C          5.50487       -1.72089       -0.75666
C          4.11878       -0.20623       -2.10443
C          2.98499        0.74143       -2.19910
C          0.57261        1.15717       -2.06005
C          6.33893       -1.95463       -1.81760
H          5.67078       -2.17723        0.21437
C          4.92603       -0.53089       -3.24739
C          3.14952        2.06271       -2.73859
C          0.71091        2.37305       -2.66954
H         -0.39752        0.77678       -1.75956
C          6.06069       -1.39015       -3.08557
H          7.20495       -2.60145       -1.70503
C          4.61195       -0.08160       -4.55480
C          1.99690        2.87358       -2.98636
C          4.42556        2.62148       -2.99755
H         -0.16371        2.98400       -2.87637
C          6.86964       -1.69506       -4.20796
C          5.40447       -0.41587       -5.62753
H          3.72532        0.52242       -4.71260
C          2.16215        4.18046       -3.50496
C          4.55405        3.90136       -3.48489
H          5.31414        2.03743       -2.78458
C          6.55549       -1.21208       -5.45419
H          7.73644       -2.33507       -4.06272
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O          1.37534        1.63929        0.85045
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C          1.88227        2.94273        0.79407
C          4.23327        0.37862        3.51568
C          3.99727        2.13734        1.82100
C          3.16238        3.21252        1.23969
C          1.04350        3.91120        0.21680
C          5.52089        0.12835        3.12020
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C          5.31529        1.83136        1.35171
C          3.61069        4.57378        1.17864
C          1.49571        5.19650        0.08369
H          0.05409        3.61631       -0.11607
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C          2.77660        5.56191        0.56268
C          4.83768        4.99730        1.74788
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C          7.38387        0.51789        1.55512
C          7.13400        2.11213       -0.23390
H          5.29267        3.18097       -0.34086
C          3.23133        6.90048        0.47527
C          5.24210        6.30875        1.66177
H          5.46190        4.27820        2.26721
C          7.90415        1.15061        0.45238
H          7.95754       -0.24203        2.08019
H          7.53748        2.59104       -1.12200
C          4.44384        7.26816        1.00494
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H          6.18432        6.61000        2.11114
H          8.90060        0.90261        0.09777
H          4.78191        8.29825        0.93695
N         -4.24996        1.94649       -0.06042
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C         -5.68002        0.38041       -0.94991
O         -6.24838        1.58821        1.08533
C         -4.54530        0.43193       -1.76449
O         -2.55023        1.81776       -1.64504
C         -6.68194       -0.53226       -1.19216
C         -4.39739       -0.43180       -2.82667
C         -6.53501       -1.41817       -2.26283
F         -7.77145       -0.62314       -0.43132
C         -5.40555       -1.36759       -3.07228
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F         -7.46891       -2.33400       -2.50203
F         -5.27969       -2.23639       -4.07130
N         -2.56570       -3.21963       -1.37008
C         -2.70469       -2.22504       -0.38296
C         -3.67366       -4.09054       -1.40246
C         -3.99488       -2.50754        0.28608
O         -1.92501       -1.32201       -0.16642
C         -4.58813       -3.60711       -0.33825
O         -3.81036       -5.03444       -2.14613
C         -4.62383       -1.85814        1.32413
C         -5.82522       -4.06193        0.06105
C         -5.87131       -2.32269        1.74688
F         -4.09153       -0.80042        1.93759
C         -6.46786       -3.41030        1.11759
F         -6.43494       -5.09154       -0.52062
F         -6.50554       -1.71606        2.74482
F         -7.66249       -3.82475        1.52600
149
l_tfpi_dimer_rh_cod_35.log
C         -0.35836       -4.07207       -2.50445
C         -0.18825       -4.92738       -3.58833
C          1.06617       -5.49568       -3.79482
C          2.13369       -5.18850       -2.95848
C          1.95749       -4.31808       -1.87890
C          0.69654       -3.78443       -1.64175
C          3.16202       -3.96331       -1.04046
O          2.84244       -3.08698        0.06985
H         -1.01220       -5.13802       -4.26178
H          1.21499       -6.16936       -4.63345
H          3.11436       -5.61738       -3.15182
H          0.51127       -3.12076       -0.80407
H          3.93820       -3.50889       -1.66641
H          3.58337       -4.85812       -0.57086
C         -4.28502        2.37874        2.65809
C         -3.98129        2.93199        3.90164
C         -2.77155        3.59659        4.06592
C         -1.86453        3.68248        3.01149
C         -2.17861        3.12946        1.77087
C         -3.40436        2.48703        1.59036
C         -1.19676        3.14749        0.64112
O         -0.76370        1.75381        0.41722
H         -4.68003        2.83531        4.72675
H         -2.52730        4.03357        5.02956
H         -0.90843        4.18013        3.15203
H         -3.66737        2.06718        0.62408
H         -0.33737        3.78557        0.85701
H         -1.65905        3.45647       -0.30051
Rh         0.69986       -1.03087        1.25351
C          1.31963       -2.46739        2.88294
C          0.48256       -3.18569        2.04977
C         -1.47874       -1.05841        1.82957
C         -0.81314       -0.48123        2.89456
C          0.92686       -1.83646        4.18928
H          2.39470       -2.58121        2.73657
C         -0.96395       -3.51267        2.33567
H          0.95837       -3.78422        1.27836
C         -1.93457       -2.48525        1.72916
H         -1.91793       -0.38325        1.09600
C         -0.46398       -1.16927        4.19522
H         -0.78834        0.60802        2.92518
H          1.68766       -1.09435        4.44852
H          0.97170       -2.60528        4.97691
H         -1.18550       -4.49091        1.89618
H         -1.12079       -3.61194        3.41276
H         -2.08112       -2.71817        0.66895
H         -2.92805       -2.57164        2.19518
H         -1.24185       -1.89730        4.43969
H         -0.47745       -0.41814        4.99132
P          2.51036       -1.50973       -0.01994
O          3.86317       -0.71003        0.41535
O          2.51057       -1.35938       -1.64976
C          5.06698       -1.13037       -0.16956
C          3.05726       -0.31404       -2.37821
C          5.95167       -1.83401        0.66333
C          5.32995       -0.83642       -1.49197
C          4.40158       -0.00434       -2.29156
C          2.17824        0.32177       -3.27210
C          7.13505       -2.29125        0.14708
H          5.67939       -1.99104        1.70269
C          6.51687       -1.40552       -2.06645
C          4.86179        1.14105       -3.02606
C          2.63483        1.35062       -4.04862
H          1.14816       -0.01764       -3.30909
C          7.43444       -2.11409       -1.22541
H          7.84232       -2.82256        0.77838
C          6.79581       -1.34337       -3.45479
C          3.96638        1.81387       -3.91694
C          6.16926        1.66538       -2.87406
H          1.96855        1.85015       -4.74707
C          8.61569       -2.65816       -1.78712
C          7.94081       -1.90218       -3.97191
H          6.08813       -0.86128       -4.12036
C          4.41661        2.94916       -4.63303
C          6.57256        2.77861       -3.57393
H          6.85448        1.19328       -2.17877
C          8.87080       -2.54907       -3.13194
H          9.30883       -3.17930       -1.13130
H          8.12712       -1.85034       -5.04106
C          5.69486        3.42507       -4.46812
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H          7.57603        3.16921       -3.42771
H          9.77595       -2.97585       -3.55448
H          6.02855        4.30202       -5.01563
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O          1.62358        1.54358       -0.61197
C          2.64247        2.06086        2.03309
C          1.99566        2.87602       -0.81180
C          3.06972        1.35983        3.17114
C          3.50680        2.65595        1.13494
C          2.94849        3.44320        0.01206
C          1.39423        3.55470       -1.88410
C          4.41200        1.19738        3.39187
H          2.32305        0.96394        3.85140
C          4.90925        2.44053        1.32355
C          3.28958        4.81595       -0.21274
C          1.76623        4.84677       -2.14855
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C          5.35758        1.70224        2.46712
H          4.76504        0.65740        4.26673
C          5.87717        2.87939        0.38760
C          2.71104        5.50724       -1.32672
C          4.14627        5.54058        0.65341
H          1.32543        5.38567       -2.98320
C          6.74329        1.46817        2.64256
C          7.21423        2.62177        0.58032
H          5.55461        3.40869       -0.50267
C          3.06558        6.85781       -1.56582
C          4.45760        6.85569        0.40097
H          4.55475        5.05095        1.53098
C          7.65599        1.91827        1.71986
H          7.06834        0.91130        3.51816
H          7.93793        2.95873       -0.15680
C          3.92805        7.51865       -0.72605
H          2.62883        7.36426       -2.42305
H          5.11361        7.39213        1.08094
H          8.71612        1.72643        1.85923
H          4.19069        8.55547       -0.91604
N         -5.50714        1.66932        2.47861
C         -6.78406        2.20824        2.73356
C         -5.57300        0.33504        2.04200
C         -7.73978        1.11288        2.43685
O         -7.01107        3.33546        3.10838
C         -7.01144       -0.01327        2.04412
O         -4.62817       -0.35958        1.73353
C         -9.11437        1.07367        2.50272
C         -7.64438       -1.19301        1.72482
C         -9.76556       -0.11674        2.16666
F         -9.84772        2.12149        2.87048
C         -9.03915       -1.23910        1.78462
F         -6.97802       -2.29198        1.37255
F        -11.09238       -0.18499        2.21720
F         -9.68339       -2.36098        1.47786
N         -1.61392       -3.44144       -2.27049
C         -1.75826       -2.05913       -2.02954
C         -2.85375       -4.11094       -2.25563
C         -3.20961       -1.83905       -1.83607
O         -0.86239       -1.24433       -2.00368
C         -3.86827       -3.06225       -1.98716
O         -3.01901       -5.29893       -2.41414
C         -3.90833       -0.69022       -1.54266
C         -5.23779       -3.14448       -1.86886
C         -5.29676       -0.76755       -1.41571
F         -3.31506        0.49018       -1.37523
C         -5.95597       -1.97813       -1.58945
F         -5.90598       -4.28603       -2.01555
F         -6.00057        0.32494       -1.12638
F         -7.28176       -2.01988       -1.48727
149
l_tfpi_dimer_rh_cod_36.log
C         -1.45082       -3.22835       -2.04034
C         -1.62306       -3.28367       -3.42081
C         -0.49738       -3.43096       -4.22545
C          0.77497       -3.48223       -3.66443
C          0.93705       -3.41976       -2.27930
C         -0.18655       -3.32070       -1.46638
C          2.33379       -3.43176       -1.71072
O          2.38776       -2.97084       -0.33154
H         -2.61191       -3.19833       -3.85816
H         -0.61383       -3.47314       -5.30435
H          1.64875       -3.55313       -4.30814
H         -0.09121       -3.26960       -0.38755
H          3.00363       -2.83308       -2.33616
H          2.73037       -4.45199       -1.66421
C         -3.72598        2.56555        1.00782
C         -4.38486        3.73846        1.35510
C         -3.81288        4.56280        2.32098
C         -2.60769        4.21620        2.91998
C         -1.95254        3.03480        2.56004
C         -2.51650        2.20379        1.59772
C         -0.64762        2.69846        3.22928
O         -0.30596        1.30989        2.96896
H         -5.32488        4.00069        0.87959
H         -4.31516        5.48166        2.60840
H         -2.17229        4.86356        3.67774
H         -2.03889        1.27225        1.31248
H         -0.73086        2.80427        4.31627
H          0.15264        3.36425        2.88584
Rh         1.15324       -1.46148        2.20529
C          2.28901       -3.31457        2.83094
C          1.07508       -3.75790        2.33926
C         -0.48766       -1.74575        3.72963
C          0.66829       -1.51292        4.45235
C          2.64428       -3.12405        4.27744
H          3.14388       -3.34366        2.15449
C         -0.10116       -4.20782        3.17387
H          1.05731       -4.06231        1.29650
C         -1.11081       -3.07618        3.42385
H         -1.13409       -0.88843        3.54323
C          1.50903       -2.55729        5.15205
H          0.83797       -0.48866        4.78260
H          3.50771       -2.45241        4.32381
H          2.98518       -4.08761        4.68809
H         -0.61442       -5.01087        2.63463
H          0.24706       -4.63842        4.11573
H         -1.73693       -2.95041        2.53300
H         -1.79665       -3.34745        4.24202
H          0.86362       -3.35920        5.51946
H          1.95982       -2.09281        6.03478
P          2.16693       -1.45497        0.17622
O          3.62352       -0.71779        0.18757
O          1.47518       -0.84456       -1.17062
C          4.43498       -0.91009       -0.94026
C          1.74616        0.37012       -1.77959
C          5.52852       -1.77557       -0.77764
C          4.13339       -0.27040       -2.12612
C          3.01745        0.69860       -2.21381
C          0.61977        1.17348       -2.02233
C          6.33886       -2.03882       -1.85000
H          5.70870       -2.21528        0.19860
C          4.91124       -0.62967       -3.27908
C          3.19961        2.00725       -2.77944
C          0.77235        2.37984       -2.64667
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C          6.03883       -1.49909       -3.12390
H          7.20030       -2.69243       -1.74189
C          4.57196       -0.20544       -4.58852
C          2.06145        2.84628       -3.00013
C          4.48000        2.52834       -3.08998
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C          6.81804       -1.83838       -4.25743
C          5.33505       -0.57340       -5.67150
H          3.68905        0.40602       -4.73899
C          2.24348        4.14327       -3.53790
C          4.62554        3.79786       -3.59908
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C          6.48044       -1.37948       -5.50667
H          7.68048       -2.48555       -4.11803
H          5.04804       -0.24405       -6.66627
C          3.49993        4.61379       -3.83387
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H          5.62050        4.17853       -3.81359
H          7.07964       -1.65123       -6.37106
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P          1.04565        0.77468        2.30265
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O          1.28268        1.57480        0.89907
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C          1.73790        2.89655        0.83123
C          4.26890        0.42496        3.47791
C          3.91292        2.17237        1.79171
C          3.02002        3.21490        1.23755
C          0.84750        3.83066        0.27482
C          5.55243        0.22425        3.04317
H          3.85105       -0.12801        4.31321
C          5.22659        1.91584        1.28178
C          3.41458        4.59216        1.16147
C          1.24676        5.13171        0.12660
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C          6.05182        0.93921        1.92771
H          6.19296       -0.50433        3.53355
C          5.72509        2.54870        0.11783
C          2.52613        5.54637        0.56843
C          4.64074        5.06337        1.69371
H          0.57614        5.86437       -0.31481
C          7.34959        0.68324        1.42129
C          6.98391        2.26523       -0.35822
H          5.09619        3.25460       -0.41342
C          2.92697        6.90095        0.46583
C          4.99237        6.38903        1.59406
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C          7.81171        1.33568        0.30404
H          7.96764       -0.05403        1.92804
H          7.34029        2.75796       -1.25879
C          4.13937        7.31581        0.95960
H          2.24532        7.60857        0.00016
H          5.93514        6.72685        2.01531
H          8.80589        1.12637       -0.08063
H          4.43604        8.35779        0.88028
N         -4.29588        1.69100        0.03610
C         -5.55140        1.07266        0.17235
C         -3.63700        1.30237       -1.14298
C         -5.69632        0.20507       -1.02297
O         -6.31477        1.21628        1.10104
C         -4.53808        0.32382       -1.79700
O         -2.56434        1.71753       -1.52111
C         -6.70139       -0.66292       -1.38476
C         -4.36616       -0.43239       -2.93451
C         -6.53342       -1.43585       -2.53747
F         -7.81725       -0.81119       -0.67280
C         -5.37766       -1.32419       -3.30228
F         -3.27146       -0.35802       -3.68805
F         -7.47765       -2.29613       -2.90475
F         -5.23818       -2.08059       -4.38698
N         -2.57252       -3.04733       -1.18157
C         -2.61660       -2.09693       -0.14128
C         -3.75821       -3.80556       -1.25196
C         -3.92098       -2.30185        0.52972
O         -1.76111       -1.27541        0.11029
C         -4.61548       -3.30437       -0.15052
O         -3.99229       -4.68447       -2.04992
C         -4.48324       -1.66153        1.61157
C         -5.89011       -3.66253        0.22873
C         -5.77348       -2.02223        2.00694
F         -3.84854       -0.70634        2.29129
C         -6.47099       -3.01005        1.31945
F         -6.59266       -4.59722       -0.40648
F         -6.34635       -1.41982        3.04261
F         -7.70289       -3.32550        1.70465
149
l_tfpi_dimer_rh_cod_37.log
C          1.26992       -4.83734        1.21368
C          0.77578       -6.09628        1.55342
C         -0.23970       -6.18792        2.49676
C         -0.77514       -5.03585        3.06951
C         -0.27557       -3.77966        2.72865
C          0.76908       -3.68560        1.80643
C         -0.87394       -2.53436        3.31891
O         -1.63824       -1.78327        2.32096
H          1.17465       -6.98515        1.07441
H         -0.63166       -7.16297        2.77008
H         -1.58841       -5.11273        3.78648
H          1.19201       -2.72163        1.53988
H         -0.11008       -1.87976        3.74867
H         -1.60463       -2.78326        4.09137
C         -2.53460        4.41078       -0.23265
C         -2.29960        5.73247       -0.60130
C         -1.08342        6.05204       -1.19797
C         -0.13160        5.06702       -1.44462
C         -0.38365        3.74244       -1.08200
C         -1.58732        3.41748       -0.46439
C          0.67072        2.69450       -1.30988
O         -0.00570        1.40752       -1.44386
H         -3.05129        6.49498       -0.42791
H         -0.88508        7.07928       -1.48919
H          0.80802        5.32696       -1.92642
H         -1.78627        2.39735       -0.16003
H          1.36070        2.64134       -0.45973
H          1.24198        2.90710       -2.21850
Rh        -0.90203       -1.58668       -0.88917
C         -3.07941       -2.31020       -0.48559
C         -2.21664       -3.38821       -0.47922
C         -1.24909       -2.32159       -2.98347
C         -1.90752       -1.10179       -2.84074
C         -3.99327       -1.92985       -1.62723
H         -3.34045       -1.88021        0.47845
C         -1.99567       -4.34830       -1.61572
H         -1.84665       -3.72065        0.49124
C         -1.91663       -3.68105       -3.00262
H         -0.25120       -2.28441       -3.41689
C         -3.36978       -0.89190       -2.57081
H         -1.41318       -0.22100       -3.25115
H         -4.91031       -1.50650       -1.20392
H         -4.28615       -2.83081       -2.17321
H         -1.06266       -4.88578       -1.42227
H         -2.79669       -5.10360       -1.60496
H         -1.33858       -4.33462       -3.66396
H         -2.91137       -3.59446       -3.44964
H         -3.91122       -0.87392       -3.53056
H         -3.48651        0.10539       -2.13398
P         -0.99819       -0.78121        1.21880
O         -2.07971        0.44551        1.23144
O          0.24303       -0.17070        2.13125
C         -2.51341        0.93421        2.46890
C          0.57677        1.17093        2.27233
C         -3.81768        0.58884        2.85755
C         -1.67554        1.73385        3.21543
C         -0.33600        2.11678        2.71295
C          1.93425        1.48290        2.06100
C         -4.30372        1.05335        4.05016
H         -4.41457       -0.03296        2.19699
C         -2.14224        2.14388        4.51194
C          0.08450        3.49097        2.70399
C          2.36684        2.77645        2.15982
H          2.62266        0.68013        1.83152
C         -3.48185        1.82470        4.90730
H         -5.31652        0.81385        4.36406
C         -1.31647        2.81798        5.44581
C          1.44826        3.81893        2.42482
C         -0.82444        4.55586        2.91312
H          3.41523        3.01700        2.00312
C         -3.96005        2.26108        6.16718
C         -1.80471        3.20833        6.67075
H         -0.28084        3.01958        5.19582
C          1.85322        5.17556        2.40889
C         -0.40732        5.86507        2.86972
H         -1.87061        4.33566        3.08825
C         -3.14328        2.94911        7.03032
H         -4.98537        2.02505        6.44221
H         -1.14861        3.71703        7.37164
C          0.94514        6.18246        2.62825
H          2.89645        5.40241        2.20277
H         -1.13250        6.66147        3.01015
H         -3.51751        3.27612        7.99623
H          1.26141        7.22144        2.60328
P          0.62586       -0.06096       -1.46396
O          1.98328        0.18471       -0.58098
O          1.26086       -0.32794       -2.95179
C          3.16750       -0.51205       -0.79971
C          2.15672        0.62137       -3.45904
C          3.60789       -1.34950        0.24105
C          3.90796       -0.27467       -1.94207
C          3.43781        0.70257       -2.94854
C          1.68133        1.44255       -4.49505
C          4.82728       -1.96572        0.14094
H          2.98367       -1.46800        1.12030
C          5.13424       -1.00248       -2.10202
C          4.26119        1.78598       -3.40373
C          2.49849        2.41728       -5.00360
H          0.67265        1.28943       -4.86666
C          5.61586       -1.81391       -1.02421
H          5.19325       -2.59258        0.95039
C          5.89257       -0.96593       -3.29874
C          3.78660        2.63320       -4.45664
C          5.51199        2.09231       -2.81195
H          2.15341        3.05698       -5.81160
C          6.86014       -2.47779       -1.15349
C          7.08932       -1.63687       -3.39835
H          5.52050       -0.40544       -4.14992
C          4.60258        3.69600       -4.91633
C          6.27042        3.14461       -3.26814
H          5.86870        1.49894       -1.97703
C          7.59296       -2.38077       -2.31140
H          7.21695       -3.07708       -0.31896
H          7.64957       -1.59791       -4.32844
C          5.82428        3.94438       -4.34076
H          4.23232        4.32021       -5.72586
H          7.22140        3.36663       -2.79189
H          8.54567       -2.89472       -2.40204
H          6.44050        4.76543       -4.69596
N         -3.74955        4.04853        0.41794
C         -4.26960        4.70307        1.55366
C         -4.52411        2.92809        0.05914
C         -5.44883        3.90548        1.96689
O         -3.82016        5.70180        2.06825
C         -5.60929        2.85329        1.06328
O         -4.32302        2.19854       -0.88630
C         -6.28034        4.03161        3.05704
C         -6.60702        1.92077        1.23021
C         -7.29472        3.08740        3.23487
F         -6.14653        5.00319        3.95729
C         -7.45937        2.04612        2.32880
F         -6.77675        0.89188        0.40094
F         -8.10698        3.17244        4.28482
F         -8.42602        1.15396        2.52768
N          2.26955       -4.72630        0.20434
C          2.07064       -4.03234       -0.99688
C          3.50199       -5.41286        0.21891
C          3.26516       -4.29801       -1.82168
O          1.09195       -3.37237       -1.28530
C          4.12787       -5.12320       -1.09345
O          3.92168       -6.08260        1.13427
C          3.59590       -3.86192       -3.08456
C          5.33526       -5.51675       -1.62227
C          4.80985       -4.27872       -3.63675
F          2.80552       -3.06858       -3.80364
C          5.67195       -5.09024       -2.91017
F          6.19841       -6.28217       -0.95835
F          5.15087       -3.89673       -4.86343
F          6.83101       -5.45705       -3.44791
149
l_tfpi_dimer_rh_cod_38.log
C          2.76696       -4.05853        0.94328
C          4.12954       -3.76761        1.00278
C          4.70228       -2.98985        0.00125
C          3.92143       -2.47957       -1.02839
C          2.55227       -2.74903       -1.06471
C          1.97623       -3.55530       -0.08851
C          1.69092       -2.12906       -2.12016
O          1.63512       -0.67660       -1.88864
H          4.73532       -4.14577        1.81802
H          5.76543       -2.77116        0.03928
H          4.36996       -1.85743       -1.79913
H          0.91526       -3.77764       -0.12627
H          0.68435       -2.56073       -2.10251
H          2.11269       -2.25101       -3.12251
C         -1.09258        4.75593       -1.29927
C         -0.01797        5.44191       -1.86481
C          1.22659        5.38324       -1.24528
C          1.40764        4.62462       -0.09513
C          0.33291        3.92235        0.45290
C         -0.92358        4.00361       -0.13800
C          0.53805        3.03235        1.63869
O          1.30844        1.85252        1.21246
H         -0.15091        6.01520       -2.77477
H          2.06256        5.92477       -1.67826
H          2.38698        4.56560        0.37359
H         -1.76090        3.46893        0.29729
H         -0.42152        2.72892        2.07012
H          1.14125        3.51188        2.41533
Rh        -0.98741       -0.35975        0.16642
C         -2.33461       -1.78930       -0.96152
C         -2.97185       -0.56362       -0.94270
C         -2.45239       -0.04547        1.86066
C         -2.08131       -1.37570        1.89261
C         -2.58577       -2.94692       -0.03926
H         -1.75680       -2.03769       -1.85265
C         -4.13360       -0.17997       -0.05713
H         -2.80353        0.10297       -1.78403
C         -3.69398        0.52497        1.23878
H         -1.92706        0.63655        2.53042
C         -2.91354       -2.53865        1.40719
H         -1.24882       -1.65200        2.53450
H         -1.68693       -3.57443       -0.03893
H         -3.39522       -3.57082       -0.44963
H         -4.76926        0.51055       -0.62060
H         -4.74003       -1.06220        0.16153
H         -3.50156        1.58185        1.02204
H         -4.51217        0.50638        1.97575
H         -3.97564       -2.30774        1.51884
H         -2.70530       -3.39384        2.05833
P          0.22510        0.06971       -1.69634
O          0.65707        1.62440       -1.80475
O         -0.41433       -0.24149       -3.19476
C          1.42163        2.03496       -2.90432
C         -1.17022        0.68107       -3.90865
C          2.76801        2.34180       -2.65216
C          0.82505        2.15852       -4.14058
C         -0.61725        1.88006       -4.32350
C         -2.46867        0.27997       -4.27505
C          3.55790        2.77282       -3.68416
H          3.14775        2.24026       -1.64069
C          1.66894        2.51924       -5.24572
C         -1.48664        2.82154       -4.96813
C         -3.26355        1.12587       -5.00138
H         -2.81159       -0.70944       -3.98812
C          3.03964        2.85493       -4.99963
H          4.59891        3.03182       -3.50968
C          1.21578        2.51204       -6.58857
C         -2.81264        2.42552       -5.33293
C         -1.09284        4.15759       -5.23171
H         -4.25939        0.81578       -5.30677
C          3.86950        3.23432       -6.08304
C          2.05305        2.86730       -7.62024
H          0.19824        2.20811       -6.80801
C         -3.65410        3.34433       -6.00774
C         -1.94623        5.03663       -5.85664
H         -0.10757        4.49192       -4.92409
C          3.38651        3.25013       -7.36845
H          4.90339        3.49883       -5.87492
H          1.68393        2.84498       -8.64183
C         -3.23115        4.62409       -6.27002
H         -4.65053        3.01807       -6.29652
H         -1.62735        6.06040       -6.03329
H          4.03204        3.53796       -8.19337
H         -3.88628        5.32561       -6.77920
P          0.74468        0.36401        1.43287
O          0.60841        0.40743        3.08528
O          2.07648       -0.52626        1.20505
C          0.90433       -0.67927        3.90003
C          3.23207       -0.19880        1.92597
C         -0.13277       -1.14201        4.73144
C          2.18940       -1.19028        3.95678
C          3.30868       -0.51056        3.26629
C          4.27453        0.40217        1.20306
C          0.09525       -2.18731        5.58615
H         -1.09610       -0.64278        4.69245
C          2.39757       -2.36794        4.74812
C          4.48841       -0.09530        3.97322
C          5.43752        0.72133        1.85119
H          4.13804        0.58949        0.14291
C          1.34654       -2.84826        5.59223
H         -0.69224       -2.53670        6.24861
C          3.60808       -3.10419        4.70398
C          5.56816        0.49994        3.24392
C          4.61427       -0.20097        5.38106
H          6.26365        1.17328        1.30854
C          1.57318       -3.98321        6.40940
C          3.78397       -4.22399        5.48293
H          4.40021       -2.78308        4.03566
C          6.74163        0.89276        3.93313
C          5.75984        0.20883        6.02239
H          3.78972       -0.59647        5.96371
C          2.76922       -4.65676        6.36284
H          0.77083       -4.32018        7.06191
H          4.71479       -4.78133        5.41928
C          6.84262        0.74339        5.29449
H          7.55602        1.33011        3.36072
H          5.82757        0.12561        7.10356
H          2.93130       -5.53127        6.98698
H          7.74441        1.05324        5.81493
N         -2.36784        4.79404       -1.92674
C         -2.94223        5.94946       -2.49795
C         -3.20745        3.67001       -2.07048
C         -4.24706        5.51512       -3.04899
O         -2.45518        7.05714       -2.50439
C         -4.41193        4.15627       -2.77708
O         -2.96628        2.54675       -1.68736
C         -5.20471        6.21697       -3.74589
C         -5.53479        3.48091       -3.19787
C         -6.34931        5.53997       -4.17255
F         -5.07859        7.50913       -4.04016
C         -6.51293        4.18662       -3.90043
F         -5.72293        2.18128       -2.97198
F         -7.29183        6.18708       -4.85229
F         -7.60828        3.56204       -4.32475
N          2.17219       -4.85950        1.95621
C          0.91931       -4.59179        2.54567
C          2.76643       -6.01841        2.49943
C          0.71059       -5.66137        3.54601
O          0.18425       -3.66913        2.27150
C          1.81913       -6.50875        3.52695
O          3.82572       -6.49812        2.16478
C         -0.31241       -5.85552        4.44557
C          1.91226       -7.57075        4.39823
C         -0.22629       -6.92995        5.33290
F         -1.37373       -5.05295        4.51311
C          0.87400       -7.77919        5.30899
F          2.95863       -8.39368        4.42076
F         -1.19295       -7.13814        6.22303
F          0.93722       -8.78974        6.17166
149
l_tfpi_dimer_rh_cod_39.log
C         -1.22334       -4.84638       -1.60670
C         -1.11293       -5.86878       -0.66852
C         -1.17006       -5.55209        0.68603
C         -1.35943       -4.23796        1.09502
C         -1.47473       -3.21792        0.14644
C         -1.39349       -3.52142       -1.20877
C         -1.71787       -1.80294        0.57156
O         -0.69418       -1.41202        1.54504
H         -0.98924       -6.89683       -0.99198
H         -1.08485       -6.34454        1.42366
H         -1.42346       -4.00083        2.15379
H         -1.45360       -2.73111       -1.95055
H         -2.67115       -1.70862        1.09867
H         -1.70869       -1.12859       -0.28732
C         -3.09851        2.89127        3.48824
C         -3.88991        2.80146        4.62726
C         -3.36154        3.22151        5.84340
C         -2.06016        3.70600        5.91226
C         -1.26980        3.79192        4.76351
C         -1.79902        3.38893        3.53868
C          0.12220        4.35133        4.89878
O          1.06187        3.94123        3.88084
H         -4.90152        2.41269        4.55740
H         -3.96434        3.15785        6.74435
H         -1.64713        4.01211        6.87067
H         -1.22294        3.46492        2.62111
H          0.53877        4.12233        5.88561
H          0.09464        5.44281        4.80093
Rh         0.43124        0.51963        3.86094
C          0.67912       -1.71741        4.21801
C         -0.60087       -1.37669        4.61788
C          0.23476        0.98678        6.07283
C          1.51408        0.49693        5.90246
C          1.87679       -1.89891        5.10421
H          0.79671       -2.15014        3.22641
C         -1.04752       -1.22028        6.05193
H         -1.39544       -1.49031        3.88239
C         -0.98129        0.23780        6.53174
H          0.12521        2.06722        6.09770
C          1.97466       -0.89618        6.26492
H          2.30542        1.23410        5.77506
H          2.76773       -1.81093        4.47406
H          1.87782       -2.92923        5.49356
H         -2.08675       -1.55713        6.12447
H         -0.46051       -1.87486        6.70122
H         -1.85878        0.77794        6.15684
H         -1.04313        0.28460        7.63042
H          1.40637       -1.24610        7.13075
H          3.02094       -0.83641        6.58176
P          0.05243       -0.00020        1.68069
O          1.47567       -0.15785        0.89448
O         -0.86088        0.89312        0.64816
C          1.46204       -0.82933       -0.33150
C         -0.39904        1.67453       -0.40550
C          2.06188       -2.09863       -0.36613
C          0.90591       -0.21633       -1.43408
C          0.46089        1.19483       -1.37858
C         -0.94458        2.96923       -0.45341
C          2.10302       -2.78542       -1.55098
H          2.50110       -2.49841        0.54256
C          0.81427       -0.99127       -2.63843
C          0.94133        2.13988       -2.35364
C         -0.59169        3.83131       -1.45310
H         -1.62746        3.26981        0.33095
C          1.46523       -2.26479       -2.70291
H          2.59290       -3.75383       -1.60917
C          0.06937       -0.56177       -3.76437
C          0.38826        3.45817       -2.40137
C          1.99415        1.83267       -3.25182
H         -1.01781        4.83041       -1.49202
C          1.42748       -3.00244       -3.91148
C          0.01839       -1.32194       -4.90958
H         -0.47875        0.37345       -3.71438
C          0.86463        4.38658       -3.35840
C          2.45130        2.76306       -4.15603
H          2.46729        0.85850       -3.20838
C          0.72647       -2.53860       -4.99805
H          1.95768       -3.95072       -3.95540
H         -0.57024       -0.97974       -5.75640
C          1.87583        4.04807       -4.22399
H          0.42531        5.38102       -3.37789
H          3.27276        2.50579       -4.81918
H          0.70079       -3.11314       -5.91975
H          2.24409        4.76979       -4.94748
P          1.38108        2.48036        3.28255
O          3.01720        2.54054        3.49601
O          1.27793        2.78460        1.67766
C          3.73265        1.66562        2.66716
C          2.15209        3.69893        1.08258
C          4.21865        0.47843        3.23781
C          3.93501        2.00820        1.34328
C          3.46199        3.32385        0.85845
C          1.62767        4.94547        0.70619
C          4.89062       -0.41885        2.44867
H          4.05674        0.29817        4.29563
C          4.56495        1.04347        0.49573
C          4.33244        4.27841        0.23950
C          2.43579        5.83917        0.05374
H          0.59038        5.17057        0.92771
C          5.05492       -0.17657        1.06379
H          5.28146       -1.33959        2.87404
C          4.66511        1.21832       -0.90636
C          3.79500        5.53327       -0.19656
C          5.72256        4.05362        0.07692
H          2.04477        6.80283       -0.26225
C          5.67263       -1.13441        0.22249
C          5.25269        0.25955       -1.69812
H          4.25839        2.11546       -1.36143
C          4.64531        6.46873       -0.83595
C          6.52304        4.98975       -0.53412
H          6.16125        3.13274        0.44586
C          5.77470       -0.92175       -1.13070
H          6.04943       -2.05127        0.66941
H          5.30943        0.41091       -2.77272
C          5.98076        6.20146       -1.01120
H          4.21907        7.41064       -1.17258
H          7.58654        4.79665       -0.64443
H          6.24224       -1.66676       -1.76836
H          6.62542        6.92728       -1.49879
N         -3.63428        2.46999        2.23404
C         -4.03591        3.35638        1.22001
C         -3.86204        1.12719        1.89458
C         -4.54616        2.49505        0.12593
O         -3.96118        4.56360        1.27021
C         -4.45611        1.16019        0.53455
O         -3.60174        0.17167        2.59308
C         -5.03082        2.82434       -1.11965
C         -4.87693        0.14303       -0.29268
C         -5.44782        1.79504       -1.96743
F         -5.11783        4.08121       -1.54808
C         -5.37330        0.46945       -1.55722
F         -4.83972       -1.14064        0.06131
F         -5.92343        2.07837       -3.17590
F         -5.78714       -0.49174       -2.37684
N         -1.14006       -5.15069       -2.99308
C         -2.04396       -4.67405       -3.96307
C         -0.12202       -5.93967       -3.56262
C         -1.55990       -5.21436       -5.25521
O         -3.00924       -3.97557       -3.75042
C         -0.41305       -5.97537       -5.01445
O          0.79708       -6.45152       -2.96399
C         -2.03473       -5.03855       -6.53515
C          0.27970       -6.55920       -6.05075
C         -1.34190       -5.63555       -7.59194
F         -3.11802       -4.31485       -6.80990
C         -0.19764       -6.38746       -7.35274
F          1.38383       -7.27937       -5.86357
F         -1.77615       -5.48688       -8.84020
F          0.44269       -6.94571       -8.37599
149
l_tfpi_dimer_rh_cod_4.log
C          2.45857       -6.66951       -0.49531
C          3.01848       -7.41887        0.53702
C          3.96252       -6.82433        1.36770
C          4.31921       -5.49209        1.18430
C          3.74683       -4.74392        0.15329
C          2.82153       -5.34262       -0.70141
C          4.04834       -3.28239        0.02858
O          3.14080       -2.55400        0.94105
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H          4.41036       -7.40284        2.17014
H          5.04235       -5.02412        1.84765
H          2.37464       -4.77672       -1.51261
H          3.92268       -2.91994       -0.99361
H          5.05234       -3.04305        0.38602
C         -2.83021        4.54200        2.93953
C         -2.88511        4.34829        4.31701
C         -3.09815        3.06415        4.81141
C         -3.27262        1.99501        3.94167
C         -3.20810        2.19694        2.56111
C         -2.97740        3.47382        2.05811
C         -3.39060        1.05139        1.61326
O         -2.41156       -0.02792        1.81799
H         -2.77775        5.19110        4.99201
H         -3.14846        2.90678        5.88474
H         -3.45657        0.99763        4.33354
H         -2.90939        3.63576        0.98651
H         -3.34560        1.38148        0.57290
H         -4.34746        0.54932        1.78232
Rh         0.13204       -1.98541        2.03326
C          1.34092       -3.33539        3.37730
C          0.80733       -4.16025        2.40528
C         -1.83629       -2.96595        2.53823
C         -1.38585       -2.37821        3.70684
C          0.80661       -3.11317        4.76309
H          2.35697       -2.97556        3.21661
C         -0.38453       -5.07223        2.57291
H          1.43610       -4.37207        1.54193
C         -1.70190       -4.40731        2.14027
H         -2.54983       -2.39962        1.94201
C         -0.72915       -3.09846        4.86243
H         -1.76599       -1.38265        3.93230
H          1.19876       -2.15320        5.11822
H          1.22222       -3.87989        5.43579
H         -0.22748       -5.95627        1.94686
H         -0.44188       -5.42322        3.60598
H         -1.78585       -4.45919        1.04885
H         -2.56019       -4.96965        2.54122
H         -1.12661       -4.11309        4.94351
H         -1.00558       -2.58195        5.78725
P          1.81290       -1.74399        0.55656
O          2.29713       -0.23429        0.16900
O          1.51212       -2.38842       -0.92962
C          3.22075       -0.09514       -0.87259
C          0.77994       -1.63733       -1.84850
C          4.54656        0.19821       -0.51842
C          2.79032       -0.23063       -2.17736
C          1.37130       -0.54639       -2.45656
C         -0.52328       -2.07159       -2.13825
C          5.47933        0.36532       -1.50768
H          4.80015        0.30159        0.53154
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C          0.56056        0.24757       -3.32685
C         -1.27329       -1.37051       -3.04694
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C          5.12486        0.19653       -2.86794
H          6.50800        0.61073       -1.25640
C          3.47671       -0.39365       -4.57582
C         -0.76458       -0.19220       -3.64490
C          1.00210        1.48867       -3.84985
H         -2.27907       -1.69792       -3.29746
C          6.09641        0.31219       -3.89252
C          4.44798       -0.28926       -5.54341
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C          0.19471        2.23181       -4.67784
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C          5.76626        0.08187       -5.20538
H          7.11430        0.57389       -3.61395
H          4.19843       -0.50119       -6.57941
C         -1.08989        1.76971       -5.03524
H         -2.55813        0.23189       -4.76879
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H         -1.71117        2.36309       -5.70023
P         -0.83903       -0.00944        1.52852
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O         -0.60362        0.56653        0.01986
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C         -0.74724        1.91193       -0.33047
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C          0.09181        2.87781        0.19350
C         -1.72490        2.19091       -1.30166
C          3.16416        1.89518        3.05438
H          1.58651        0.84801        4.07613
C          2.54043        2.91567        0.90216
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C         -1.89766        3.47630       -1.73988
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C         -1.13077        4.53127       -1.18977
C          0.53204        5.32887        0.41093
H         -2.63777        3.70107       -2.50333
C          4.86523        3.04728        1.69336
C          4.27626        3.91219       -0.47618
H          2.24647        3.71270       -1.09213
C         -1.33448        5.87251       -1.59872
C          0.31178        6.61993       -0.00793
H          1.23395        5.14063        1.21578
C          5.23344        3.68611        0.53491
H          5.59873        2.83619        2.46785
H          4.57929        4.37968       -1.40907
C         -0.61583        6.89720       -1.03330
H         -2.07728        6.07313       -2.36710
H          0.85084        7.43588        0.46609
H          6.26318        3.99808        0.38454
H         -0.77514        7.92241       -1.35659
N         -2.63732        5.85198        2.41861
C         -1.61498        6.72719        2.83372
C         -3.49417        6.44820        1.47268
C         -1.84677        7.98688        2.08695
O         -0.74016        6.46796        3.62860
C         -2.96850        7.81845        1.27157
O         -4.45680        5.92365        0.95926
C         -1.12200        9.15653        2.05765
C         -3.38244        8.81946        0.42264
C         -1.53866       10.17929        1.20237
F         -0.03477        9.34933        2.80237
C         -2.65874       10.01369        0.39568
F         -4.43467        8.69130       -0.38378
F         -0.86147       11.32322        1.15232
F         -3.03510       11.00377       -0.40931
N          1.47480       -7.25665       -1.34011
C          0.19032       -6.71514       -1.52994
C          1.66101       -8.45096       -2.06309
C         -0.49617       -7.64176       -2.45937
O         -0.23783       -5.70764       -1.01067
C          0.37996       -8.68517       -2.77316
O          2.67308       -9.11337       -2.08266
C         -1.76862       -7.60428       -2.98309
C         -0.00866       -9.70438       -3.61326
C         -2.17040       -8.63623       -3.83481
F         -2.63011       -6.62551       -2.71174
C         -1.29975       -9.67353       -4.14793
F          0.79104      -10.71892       -3.93354
F         -3.39435       -8.63099       -4.35492
F         -1.70653      -10.64362       -4.96129
149
l_tfpi_dimer_rh_cod_40.log
C         -1.53955       -3.53966       -2.29038
C         -1.90564       -4.88587       -2.32101
C         -1.69776       -5.66340       -1.18906
C         -1.16752       -5.10064       -0.03119
C         -0.82725       -3.74786        0.00047
C         -0.99414       -2.96964       -1.14453
C         -0.37775       -3.13381        1.29632
O          0.83371       -2.34179        1.12547
H         -2.34948       -5.31483       -3.21254
H         -1.97018       -6.71444       -1.20508
H         -1.02742       -5.71332        0.85562
H         -0.70953       -1.92564       -1.14348
H         -0.14777       -3.91631        2.02509
H         -1.17573       -2.50165        1.70456
C         -3.09572        1.03996        3.72312
C         -3.65272        1.17197        4.99083
C         -3.14834        2.14585        5.84830
C         -2.11788        2.98666        5.43444
C         -1.57135        2.85660        4.15650
C         -2.05860        1.86614        3.30554
C         -0.48593        3.77591        3.67457
O          0.87337        3.25924        3.88033
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H         -3.57440        2.25838        6.84076
H         -1.74257        3.75737        6.10314
H         -1.64781        1.75101        2.30761
H         -0.49178        4.71293        4.23497
H         -0.61516        3.99552        2.61053
Rh         0.97894       -0.09913        3.62106
C          1.71341       -2.17728        4.18710
C          0.37625       -2.11148        4.53066
C          0.56539        0.49904        5.77831
C          1.92952        0.30469        5.69005
C          2.88020       -1.99460        5.11402
H          1.96850       -2.63822        3.23418
C         -0.15922       -1.94295        5.93338
H         -0.35012       -2.46861        3.80513
C         -0.46075       -0.47636        6.27326
H          0.20838        1.52359        5.68582
C          2.68633       -0.90742        6.18476
H          2.53704        1.19265        5.52231
H          3.75267       -1.74733        4.50037
H          3.10832       -2.95913        5.59451
H         -1.09368       -2.50790        6.00711
H          0.53435       -2.38404        6.65366
H         -1.42120       -0.20115        5.82448
H         -0.58282       -0.34985        7.36067
H          2.18153       -1.31263        7.06562
H          3.67483       -0.57507        6.51789
P          0.90562       -0.75575        1.45143
O          2.27978       -0.38517        0.67936
O         -0.28216       -0.22593        0.43861
C          2.47117       -0.91958       -0.60238
C         -0.16662        0.75052       -0.54498
C          3.40591       -1.95941       -0.71042
C          1.76883       -0.39825       -1.66694
C          0.84015        0.74373       -1.49741
C         -1.21118        1.69323       -0.56117
C          3.64693       -2.51392       -1.93788
H          3.92474       -2.29254        0.18269
C          1.95253       -1.03387       -2.94438
C          0.92514        1.89012       -2.36285
C         -1.21637        2.70119       -1.48463
H         -2.02265        1.58382        0.14858
C          2.92364       -2.07953       -3.07457
H          4.38199       -3.30651       -2.04980
C          1.19079       -0.69286       -4.08984
C         -0.12830        2.85656       -2.37479
C          2.05210        2.12659       -3.18834
H         -2.03589        3.41472       -1.51387
C          3.13735       -2.68295       -4.33823
C          1.42419       -1.29800       -5.30297
H          0.41126        0.05681       -4.01172
C         -0.04623        3.97158       -3.24303
C          2.12044        3.23877       -3.99478
H          2.88121        1.42782       -3.16624
C          2.41331       -2.29291       -5.43731
H          3.88536       -3.46814       -4.41566
H          0.83502       -1.00749       -6.16809
C          1.05591        4.16252       -4.04052
H         -0.86425        4.68806       -3.24472
H          3.00637        3.40775       -4.60076
H          2.58615       -2.75820       -6.40357
H          1.11862        5.02923       -4.69245
P          1.48129        2.01932        3.04250
O          3.04319        2.45447        3.30520
O          1.28464        2.37535        1.46063
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C          1.98531        3.41712        0.84030
C          4.69752        0.72888        3.08577
C          4.10713        2.16063        1.18329
C          3.35582        3.33171        0.67737
C          1.21377        4.47501        0.33371
C          5.58843        0.02576        2.31717
H          4.55075        0.50926        4.13843
C          4.97271        1.37819        0.35337
C          4.01712        4.43589        0.04440
C          1.82957        5.49046       -0.34846
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C          5.73020        0.31276        0.93797
H          6.17795       -0.77671        2.75323
C          5.06434        1.57567       -1.04620
C          3.23599        5.50572       -0.49973
C          5.42921        4.53477       -0.03382
H          1.24348        6.30450       -0.76689
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C          5.88733        0.79088       -1.81911
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C          3.88586        6.57983       -1.15589
C          6.02980        5.59975       -0.66261
H          6.04452        3.76411        0.41785
C          6.67189       -0.22437       -1.23310
H          7.17039       -1.25407        0.57875
H          5.93090        0.95237       -2.89287
C          5.25520        6.62415       -1.24600
H          3.27511        7.37571       -1.57520
H          7.11404        5.65596       -0.70400
H          7.32536       -0.82937       -1.85532
H          5.74519        7.45388       -1.74738
N         -3.59162        0.06179        2.81308
C         -4.16867        0.38313        1.56992
C         -3.44561       -1.32353        2.99106
C         -4.40258       -0.91416        0.89656
O         -4.40369        1.50286        1.17289
C         -3.97191       -1.93792        1.74725
O         -2.96759       -1.86177        3.96615
C         -4.91414       -1.19606       -0.34942
C         -4.04640       -3.25592        1.35723
C         -4.97779       -2.53139       -0.75580
F         -5.34687       -0.25297       -1.17894
C         -4.56076       -3.55084        0.09118
F         -3.64184       -4.25892        2.13528
F         -5.43775       -2.83626       -1.96602
F         -4.65898       -4.81370       -0.31097
N         -1.75853       -2.72157       -3.43318
C         -2.33609       -1.43852       -3.37582
C         -1.46629       -3.10595       -4.75893
C         -2.41044       -0.96885       -4.77638
O         -2.70156       -0.86781       -2.37144
C         -1.91394       -1.97605       -5.60701
O         -0.94150       -4.14218       -5.09662
C         -2.83317        0.23462       -5.29457
C         -1.83963       -1.79382       -6.96925
C         -2.76467        0.42483       -6.67670
F         -3.29145        1.22553       -4.53199
C         -2.27628       -0.57959       -7.50486
F         -1.35705       -2.71990       -7.79495
F         -3.16687        1.57400       -7.21178
F         -2.21924       -0.37237       -8.81716
149
l_tfpi_dimer_rh_cod_41.log
C         -1.29532       -2.84524       -2.65596
C         -0.40203       -3.58370       -3.42465
C          0.64003       -4.25160       -2.78638
C          0.78297       -4.17909       -1.40459
C         -0.11855       -3.43451       -0.63996
C         -1.16585       -2.77106       -1.27353
C          0.03978       -3.32362        0.84890
O          1.23461       -2.54556        1.21546
H         -0.52118       -3.63415       -4.50272
H          1.34338       -4.83272       -3.37545
H          1.60031       -4.70305       -0.91508
H         -1.86817       -2.17665       -0.69558
H          0.21783       -4.30237        1.30256
H         -0.84487       -2.87225        1.30619
C         -3.42384        1.26062        3.09620
C         -4.03477        1.66482        4.27992
C         -3.49995        2.73892        4.98443
C         -2.37453        3.40225        4.50450
C         -1.76631        2.99257        3.31632
C         -2.29340        1.90898        2.61327
C         -0.58399        3.73477        2.76598
O          0.69919        3.28570        3.31781
H         -4.91699        1.14379        4.64038
H         -3.97236        3.06508        5.90614
H         -1.96983        4.25259        5.04776
H         -1.84063        1.58793        1.67999
H         -0.62754        4.79182        3.03805
H         -0.55632        3.64989        1.67642
Rh         0.95715       -0.08210        3.41471
C          1.72566       -2.02585        4.30885
C          0.34449       -2.07744        4.33924
C          0.04486        0.62879        5.36730
C          1.40344        0.56270        5.59767
C          2.62873       -1.67326        5.45491
H          2.22662       -2.51893        3.47713
C         -0.51220       -1.86249        5.56632
H         -0.15219       -2.56430        3.50373
C         -0.98304       -0.40550        5.72639
H         -0.36400        1.60141        5.09650
C          2.11150       -0.53753        6.35476
H          1.96880        1.48593        5.47876
H          3.60148       -1.39430        5.03804
H          2.80351       -2.57826        6.05797
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H          0.02550       -2.19980        6.45659
H         -1.85238       -0.24149        5.08194
H         -1.32436       -0.22860        6.75863
H          1.44415       -0.92855        7.12740
H          2.96669       -0.09609        6.87672
P          1.24670       -0.93551        1.34597
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C          0.39618        0.34934       -0.88436
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C          2.52268       -0.75786       -1.63887
C          1.52652        0.33850       -1.68535
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C          4.53154       -2.76387       -1.50864
H          4.49904       -2.39802        0.61022
C          2.91229       -1.46080       -2.83178
C          1.67738        1.42721       -2.61141
C         -0.60651        2.16710       -2.09840
H         -1.57672        1.10880       -0.50419
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H          5.31589       -3.51508       -1.46573
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C          0.58927        2.32771       -2.83739
C          2.89774        1.67553       -3.28751
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C          4.34359       -3.13222       -3.93467
C          2.67268       -1.95003       -5.20052
H          1.44166       -0.56998       -4.15228
C          0.73804        3.38452       -3.76713
C          3.02334        2.73318       -4.15782
H          3.74958        1.03065       -3.09972
C          3.72753       -2.88320       -5.13652
H          5.13842       -3.87051       -3.86053
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C          1.93075        3.58622       -4.41804
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H          3.97625        2.91457       -4.64745
H          4.03569       -3.41592       -6.03181
H          2.04106        4.40882       -5.11899
P          1.47585        1.99390        2.73174
O          2.95891        2.51415        3.21963
O          1.54845        2.20641        1.11230
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C          2.30758        3.22970        0.53330
C          4.68712        0.85952        3.42498
C          4.37277        2.10079        1.33488
C          3.68677        3.19564        0.61353
C          1.60497        4.20711       -0.19000
C          5.71319        0.13628        2.87407
H          4.37935        0.72482        4.45697
C          5.38316        1.29150        0.72505
C          4.41498        4.27484        0.01296
C          2.29862        5.19530       -0.83685
H          0.52432        4.14485       -0.25234
C          6.06779        0.31232        1.51444
H          6.24909       -0.59854        3.46942
C          5.69251        1.37648       -0.65476
C          3.70844        5.26452       -0.74328
C          5.81590        4.42738        0.16717
H          1.76924        5.94560       -1.41814
C          7.07288       -0.48428        0.91244
C          6.65503        0.56960       -1.21426
H          5.15161        2.07996       -1.27872
C          4.42954        6.31342       -1.36481
C          6.48413        5.46708       -0.43516
H          6.36608        3.71964        0.77790
C          7.36621       -0.35708       -0.42326
H          7.59445       -1.21316        1.52819
H          6.86574        0.64327       -2.27777
C          5.79187        6.41040       -1.22325
H          3.87720        7.04756       -1.94634
H          7.55714        5.56684       -0.29672
H          8.13106       -0.98057       -0.87778
H          6.33638        7.22047       -1.70002
N         -3.98169        0.17669        2.35431
C         -5.23584        0.23399        1.71361
C         -3.36049       -1.06943        2.19566
C         -5.42660       -1.10447        1.10544
O         -5.96921        1.19555        1.69041
C         -4.30918       -1.88992        1.40743
O         -2.27218       -1.37620        2.63665
C         -6.47549       -1.62038        0.37722
C         -4.23926       -3.20309        1.00052
C         -6.40896       -2.95223       -0.03823
F         -7.54972       -0.90238        0.05613
C         -5.30607       -3.73638        0.27516
F         -3.19504       -3.98673        1.26948
F         -7.40036       -3.47955       -0.74943
F         -5.26562       -4.99785       -0.13554
N         -2.35753       -2.12344       -3.27669
C         -3.71385       -2.33916       -2.98890
C         -2.16589       -1.03760       -4.15162
C         -4.45130       -1.28872       -3.72839
O         -4.15372       -3.22078       -2.28280
C         -3.52429       -0.50952       -4.42707
O         -1.10011       -0.64229       -4.56635
C         -5.79841       -1.01354       -3.79267
C         -3.93479        0.55763       -5.19334
C         -6.22297        0.06663       -4.57078
F         -6.71119       -1.72761       -3.13578
C         -5.30115        0.84316       -5.26323
F         -3.08523        1.32880       -5.86842
F         -7.51694        0.36201       -4.65035
F         -5.72842        1.86930       -5.99312
149
l_tfpi_dimer_rh_cod_42.log
C         -1.57277       -2.95931       -2.17985
C         -1.78184       -2.81914       -3.54987
C         -0.68746       -2.91707       -4.40301
C          0.59498       -3.10305       -3.89478
C          0.79395       -3.23775       -2.52039
C         -0.30327       -3.20251       -1.66612
C          2.20145       -3.36725       -1.99435
O          2.31908       -2.98657       -0.59327
H         -2.77432       -2.62130       -3.93971
H         -0.83354       -2.80768       -5.47357
H          1.44830       -3.12107       -4.56881
H         -0.17597       -3.30675       -0.59418
H          2.89011       -2.77347       -2.60373
H          2.53787       -4.40964       -2.01152
C         -3.71386        2.54281        1.44124
C         -4.35621        3.66261        1.95616
C         -3.74131        4.36686        2.98849
C         -2.51003        3.95828        3.48768
C         -1.87182        2.83328        2.95774
C         -2.47922        2.12111        1.92954
C         -0.53392        2.42551        3.51197
O         -0.22754        1.06673        3.09560
H         -5.31545        3.97769        1.55782
H         -4.23092        5.24154        3.40609
H         -2.04170        4.51269        4.29753
H         -2.01205        1.23396        1.51574
H         -0.55111        2.42466        4.60709
H          0.25250        3.11672        3.18746
Rh         1.17903       -1.64851        2.07627
C          2.35546       -3.51654        2.54652
C          1.12442       -3.94042        2.07664
C         -0.39184       -2.03524        3.65234
C          0.78980       -1.83966        4.34240
C          2.76962       -3.41023        3.98592
H          3.18324       -3.50078        1.83701
C         -0.01561       -4.45311        2.92650
H          1.06927       -4.18484        1.01926
C         -1.02104       -3.34776        3.28711
H         -1.04805       -1.17171        3.54620
C          1.66518       -2.91831        4.93985
H          0.96845       -0.83626        4.72698
H          3.62343       -2.72654        4.03761
H          3.14387       -4.39076        4.32060
H         -0.54466       -5.22502        2.35795
H          0.37203       -4.93929        3.82482
H         -1.68020       -3.16912        2.42956
H         -1.67466       -3.67494        4.11112
H          1.04212       -3.75030        5.27772
H          2.14556       -2.50769        5.83366
P          2.12268       -1.50639        0.01940
O          3.58063       -0.77108        0.02040
O          1.38068       -0.80616       -1.25309
C          4.34570       -0.88596       -1.14948
C          1.62757        0.44311       -1.79554
C          5.44810       -1.75335       -1.08523
C          3.99682       -0.17255       -2.27920
C          2.87977        0.79919       -2.26152
C          0.49188        1.25655       -1.94342
C          6.21739       -1.94292       -2.20232
H          5.66774       -2.25163       -0.14585
C          4.72789       -0.45681       -3.48268
C          3.03901        2.14004       -2.75455
C          0.61915        2.49924       -2.49770
H         -0.46513        0.88060       -1.59894
C          5.86442       -1.32702       -3.42719
H          7.08530       -2.59611       -2.16894
C          4.33273        0.04229       -4.74931
C          1.89281        2.98887       -2.87517
C          4.30414        2.67991       -3.09364
H         -0.25191        3.13800       -2.61727
C          6.59835       -1.59153       -4.60970
C          5.05241       -0.25456       -5.88273
H          3.44048        0.65373       -4.82773
C          2.05210        4.31522       -3.34410
C          4.42800        3.97659       -3.53553
H          5.19152        2.06754       -2.98087
C          6.20782       -1.06022       -5.81397
H          7.46787       -2.24093       -4.54429
H          4.72272        0.13148       -6.84330
C          3.29425        4.80362       -3.67006
H          1.16894        4.94388       -3.42922
H          5.41267        4.36972       -3.77380
H          6.77210       -1.27524       -6.71696
H          3.40730        5.82533       -4.02143
P          1.08554        0.57672        2.32528
O          2.23489        1.26580        3.28713
O          1.25241        1.46216        0.96286
C          3.53210        1.18740        2.76517
C          1.67214        2.79695        0.96486
C          4.38371        0.21085        3.30487
C          3.90751        2.06105        1.76462
C          2.96639        3.11795        1.32817
C          0.73390        3.74413        0.51993
C          5.64733        0.07079        2.79512
H          4.02148       -0.40778        4.11975
C          5.20041        1.87346        1.17673
C          3.32528        4.50705        1.33376
C          1.09591        5.06246        0.44794
H         -0.25819        3.40723        0.23775
C          6.07600        0.87275        1.71000
H          6.32580       -0.67438        3.20254
C          5.63154        2.60301        0.04287
C          2.38603        5.47779        0.85682
C          4.56570        4.97106        1.83881
H          0.38888        5.80696        0.09129
C          7.35186        0.68271        1.12529
C          6.87117        2.38346       -0.51092
H          4.96668        3.33336       -0.40499
C          2.75018        6.84635        0.83459
C          4.88142        6.30923        1.81962
H          5.27162        4.26062        2.25521
C          7.74668        1.42495        0.03889
H          8.00728       -0.07534        1.54742
H          7.17519        2.94893       -1.38760
C          3.97620        7.25651        1.29771
H          2.03018        7.56732        0.45512
H          5.83639        6.64072        2.21776
H          8.72473        1.26678       -0.40670
H          4.24449        8.30900        1.28075
N         -4.31820        1.78902        0.39289
C         -5.58372        1.17997        0.47819
C         -3.67512        1.50796       -0.82513
C         -5.75538        0.44529       -0.80040
O         -6.33477        1.23653        1.42619
C         -4.60019        0.62100       -1.56773
O         -2.59331        1.93258       -1.16578
C         -6.77528       -0.36754       -1.24136
C         -4.44750       -0.01546       -2.77844
C         -6.62743       -1.02025       -2.46915
F         -7.88838       -0.57376       -0.53933
C         -5.47457       -0.85013       -3.22765
F         -3.35771        0.12394       -3.52972
F         -7.58716       -1.82501       -2.91396
F         -5.35429       -1.49156       -4.38593
N         -2.65650       -2.81540       -1.26702
C         -2.60811       -1.99818       -0.11829
C         -3.90104       -3.46256       -1.39947
C         -3.91041       -2.18958        0.56011
O         -1.69087       -1.27445        0.20613
C         -4.69303       -3.04560       -0.21755
O         -4.22111       -4.20782       -2.29755
C         -4.39952       -1.65059        1.72900
C         -5.98354       -3.35224        0.15229
C         -5.70507       -1.96310        2.11588
F         -3.68078       -0.83808        2.50314
C         -6.48971       -2.80384        1.33395
F         -6.77158       -4.14015       -0.57519
F         -6.20608       -1.45587        3.23627
F         -7.73371       -3.07611        1.71345
149
l_tfpi_dimer_rh_cod_45.log
C          1.89036       -4.16102        1.52701
C          2.94853       -4.53939        2.35471
C          3.22227       -3.78234        3.48916
C          2.48394       -2.64176        3.78107
C          1.42996       -2.26732        2.94605
C          1.11200       -3.04527        1.83779
C          0.67141       -1.00270        3.25409
O         -0.25319       -0.72094        2.17593
H          3.56976       -5.39145        2.10957
H          4.04728       -4.07238        4.13328
H          2.73277       -2.03594        4.64936
H          0.29637       -2.75537        1.19098
H          1.36234       -0.16653        3.40062
H          0.06651       -1.11278        4.16192
C         -2.47223        4.28210        0.03204
C         -1.94624        5.56734        0.14719
C         -0.91601        5.95340       -0.70499
C         -0.43451        5.07804       -1.67343
C         -0.97542        3.79618       -1.79209
C         -1.99060        3.39526       -0.92689
C         -0.47920        2.84992       -2.84372
O          0.68363        2.09058       -2.36641
H         -2.33972        6.25713        0.88616
H         -0.49996        6.95282       -0.61977
H          0.35871        5.39206       -2.34742
H         -2.40001        2.38975       -0.99963
H         -0.11278        3.39275       -3.71882
H         -1.27620        2.17005       -3.15804
Rh        -1.22093       -0.13284       -0.77377
C         -3.40534       -0.24378       -0.05029
C         -2.73784       -1.33638        0.46378
C         -1.85531       -1.71413       -2.28268
C         -2.33143       -0.49477       -2.73121
C         -4.36910       -0.29307       -1.21228
H         -3.45958        0.64036        0.58569
C         -2.71613       -2.72669       -0.10154
H         -2.38730       -1.27126        1.49108
C         -2.69201       -2.79532       -1.63811
H         -0.88787       -2.03592       -2.65994
C         -3.71602        0.05768       -2.55730
H         -1.74304        0.00257       -3.49995
H         -5.16953        0.42830       -1.02162
H         -4.83570       -1.28078       -1.25233
H         -1.82753       -3.22926        0.29568
H         -3.58122       -3.28664        0.28695
H         -2.27079       -3.76338       -1.92953
H         -3.70669       -2.75942       -2.04380
H         -4.35162       -0.28711       -3.38780
H         -3.65502        1.14792       -2.65401
P         -0.36611        0.55460        1.21083
O         -1.34481        1.62815        1.97387
O          1.11772        1.21374        1.44528
C         -1.03859        1.89620        3.31729
C          1.34194        2.59090        1.50326
C         -1.88439        1.32890        4.28281
C          0.03899        2.70119        3.61966
C          0.81646        3.34399        2.53711
C          2.20028        3.12379        0.52643
C         -1.62607        1.55545        5.60950
H         -2.72776        0.72693        3.95732
C          0.37456        2.86003        5.00432
C          1.05089        4.75923        2.51281
C          2.49895        4.45987        0.54912
H          2.61825        2.46158       -0.22193
C         -0.48724        2.29970        6.00222
H         -2.27673        1.14129        6.37529
C          1.55730        3.51388        5.43091
C          1.91532        5.31232        1.51481
C          0.41932        5.64905        3.41675
H          3.16843        4.88340       -0.19511
C         -0.16872        2.47328        7.37173
C          1.84655        3.64808        6.76834
H          2.24819        3.90211        4.69021
C          2.14954        6.70895        1.49045
C          0.65480        7.00231        3.35631
H         -0.27712        5.25780        4.14883
C          0.97038        3.14022        7.75030
H         -0.83991        2.05380        8.11714
H          2.76349        4.14558        7.07203
C          1.53563        7.54031        2.39453
H          2.81499        7.10937        0.72938
H          0.14948        7.66592        4.05271
H          1.20866        3.26350        8.80294
H          1.71479        8.61140        2.36427
P          0.58222        0.53266       -1.96303
O          2.13732        0.48030       -1.44755
O          0.66356       -0.31866       -3.35902
C          2.87261       -0.70188       -1.48744
C          1.70379       -0.07485       -4.25783
C          3.30708       -1.21168       -0.25387
C          3.22961       -1.26030       -2.70124
C          2.96873       -0.53791       -3.96566
C          1.37369        0.59321       -5.44774
C          4.03947       -2.36830       -0.22612
H          3.04913       -0.67458        0.65350
C          3.86739       -2.54183       -2.67302
C          4.01749       -0.23358       -4.89632
C          2.35451        0.82356       -6.37608
H          0.34614        0.90406       -5.61176
C          4.28043       -3.09294       -1.41770
H          4.39550       -2.76962        0.71800
C          4.05781       -3.31748       -3.84338
C          3.69212        0.43480       -6.12132
C          5.38012       -0.52359       -4.63533
H          2.12021        1.32795       -7.30981
C          4.89353       -4.36981       -1.38811
C          4.63546       -4.56401       -3.77727
H          3.72011       -2.92945       -4.79924
C          4.72138        0.72402       -7.05066
C          6.35710       -0.21390       -5.55220
H          5.65791       -0.98384       -3.69343
C          5.06718       -5.09390       -2.54269
H          5.20805       -4.77220       -0.42785
H          4.75443       -5.15005       -4.68471
C          6.02773        0.40042       -6.77818
H          4.45528        1.22056       -7.98066
H          7.39562       -0.43944       -5.32609
H          5.52417       -6.07904       -2.50768
H          6.81055        0.63150       -7.49496
N         -3.51911        3.85552        0.89452
C         -3.49731        4.00042        2.29634
C         -4.67368        3.18238        0.45395
C         -4.72219        3.32721        2.78441
O         -2.63951        4.56079        2.93881
C         -5.42524        2.83298        1.68275
O         -4.97044        2.96272       -0.69999
C         -5.18474        3.13264        4.06621
C         -6.60363        2.14112        1.85021
C         -6.37956        2.43080        4.24375
F         -4.54091        3.58260        5.14106
C         -7.08166        1.94173        3.14803
F         -7.30214        1.64889        0.82860
F         -6.85730        2.22719        5.46801
F         -8.21766        1.27887        3.34468
N          1.65662       -4.85975        0.30740
C          1.25200       -4.24176       -0.90341
C          1.93169       -6.23206        0.11041
C          1.35031       -5.28835       -1.94257
O          0.88922       -3.09611       -1.04592
C          1.75826       -6.47797       -1.33880
O          2.23165       -7.03066        0.96925
C          1.15688       -5.21399       -3.30332
C          1.97082       -7.61425       -2.08664
C          1.37944       -6.35967       -4.07056
F          0.77628       -4.09651       -3.92104
C          1.78117       -7.54664       -3.46912
F          2.36933       -8.76630       -1.55140
F          1.21921       -6.31761       -5.39034
F          1.99577       -8.62068       -4.22388
149
l_tfpi_dimer_rh_cod_46.log
C         -1.94813       -3.80662       -1.24614
C         -2.60218       -4.46330       -0.20683
C         -1.88758       -4.78706        0.94302
C         -0.54375       -4.44829        1.05670
C          0.10068       -3.77402        0.01659
C         -0.60337       -3.46104       -1.14280
C          1.54821       -3.39791        0.12449
O          1.78721       -2.50857        1.27563
H         -3.65309       -4.71677       -0.29605
H         -2.38800       -5.30835        1.75368
H          0.00960       -4.71184        1.95463
H         -0.10789       -2.94862       -1.96174
H          1.90099       -2.92851       -0.79571
H          2.17329       -4.26823        0.34369
C         -3.23611        2.13194        3.18983
C         -4.02903        2.34116        4.31084
C         -3.48140        3.01399        5.40036
C         -2.16554        3.45782        5.36232
C         -1.37547        3.23992        4.22980
C         -1.91766        2.57725        3.13282
C          0.06209        3.69384        4.25967
O          0.76344        3.33950        3.05413
H         -5.05363        1.98209        4.32849
H         -4.08584        3.18617        6.28583
H         -1.74082        3.96846        6.22377
H         -1.32633        2.38586        2.24285
H          0.58132        3.30575        5.14451
H          0.11379        4.78764        4.30823
Rh         1.33705       -0.10937        3.39526
C          2.21239       -2.01504        4.23810
C          0.84286       -2.20695        4.18176
C          0.21996        0.37328        5.30913
C          1.56251        0.44786        5.62326
C          3.00521       -1.65573        5.46115
H          2.80924       -2.40608        3.41609
C         -0.08211       -2.15820        5.37277
H          0.44296       -2.68745        3.29169
C         -0.71609       -0.77212        5.55938
H         -0.28918        1.29993        5.06187
C          2.34389       -0.60613        6.37438
H          2.02537        1.43375        5.58447
H          3.98031       -1.28618        5.12964
H          3.20657       -2.57504        6.03318
H         -0.88495       -2.88579        5.21503
H          0.45329       -2.47028        6.27331
H         -1.55989       -0.66690        4.86798
H         -1.13763       -0.67390        6.57223
H          1.68541       -1.08588        7.10397
H          3.13027       -0.10487        6.94734
P          1.64160       -0.91054        1.29417
O          2.95499       -0.29707        0.54695
O          0.46714       -0.75683        0.15944
C          3.25660       -0.72846       -0.74887
C          0.36640        0.35531       -0.66869
C          4.38113       -1.55821       -0.88634
C          2.47162       -0.32296       -1.81004
C          1.34112        0.61226       -1.61145
C         -0.79691        1.12804       -0.53344
C          4.71453       -2.03211       -2.12727
H          4.96310       -1.80235       -0.00315
C          2.75652       -0.89394       -3.09486
C          1.21139        1.81358       -2.38167
C         -0.98585        2.21198       -1.34746
H         -1.52799        0.82782        0.21025
C          3.90484       -1.73599       -3.25062
H          5.58931       -2.66384       -2.25772
C          1.91044       -0.70269       -4.21618
C          0.01648        2.59436       -2.27190
C          2.24882        2.29030       -3.22083
H         -1.89064        2.80940       -1.27023
C          4.19510       -2.28808       -4.52247
C          2.20988       -1.27081       -5.43210
H          1.00866       -0.10961       -4.10902
C         -0.11940        3.76955       -3.04975
C          2.09713        3.45242       -3.94062
H          3.17942        1.73524       -3.28407
C          3.37019       -2.05583       -5.59549
H          5.07858       -2.91316       -4.62652
H          1.54155       -1.11744       -6.27492
C          0.89724        4.19110       -3.87169
H         -1.03796        4.34499       -2.96238
H          2.91213        3.80752       -4.56538
H          3.59783       -2.48899       -6.56535
H          0.78856        5.10109       -4.45510
P          1.66777        2.04512        2.72819
O          3.13220        2.61449        3.24820
O          1.78869        2.26899        1.12335
C          4.23000        2.00524        2.62650
C          2.43292        3.40787        0.62848
C          4.93215        1.02597        3.34610
C          4.56883        2.39242        1.34411
C          3.80955        3.48205        0.69260
C          1.62962        4.39869        0.04415
C          5.98792        0.38505        2.75021
H          4.62668        0.80477        4.36377
C          5.61871        1.67765        0.68737
C          4.43766        4.66453        0.18426
C          2.22706        5.50097       -0.50814
H          0.55372        4.26350        0.03107
C          6.34219        0.67487        1.41026
H          6.55098       -0.36910        3.29412
C          5.93271        1.87988       -0.67984
C          3.63210        5.66595       -0.44874
C          5.82715        4.90924        0.31977
H          1.62461        6.27295       -0.97976
C          7.38520       -0.02973        0.75977
C          6.93900        1.16561       -1.28588
H          5.36247        2.60212       -1.25503
C          4.25216        6.82690       -0.97240
C          6.39502        6.05477       -0.18624
H          6.44809        4.18578        0.83751
C          7.68379        0.21320       -0.55871
H          7.93586       -0.77913        1.32339
H          7.15692        1.32978       -2.33764
C          5.60707        7.01662       -0.85244
H          3.62845        7.57205       -1.46029
H          7.46148        6.22391       -0.06554
H          8.48178       -0.33713       -1.04924
H          6.07238        7.91252       -1.25357
N         -3.77120        1.41016        2.07997
C         -4.03590        0.03084        2.11333
C         -4.06889        1.98334        0.83227
C         -4.56996       -0.30015        0.76979
O         -3.84264       -0.70285        3.05702
C         -4.58605        0.86681       -0.00013
O         -3.92396        3.14891        0.53922
C         -5.01377       -1.49601        0.25316
C         -5.03051        0.84603       -1.30302
C         -5.47027       -1.52415       -1.06737
F         -5.03345       -2.62127        0.96346
C         -5.48580       -0.36414       -1.83370
F         -5.04964        1.92974       -2.07531
F         -5.90310       -2.66552       -1.59868
F         -5.93794       -0.41273       -3.08453
N         -2.66127       -3.47267       -2.43156
C         -2.64934       -2.19368       -3.02063
C         -3.43016       -4.39086       -3.17532
C         -3.48226       -2.31041       -4.23948
O         -2.08018       -1.21740       -2.58456
C         -3.95964       -3.62093       -4.32647
O         -3.59326       -5.55869       -2.90538
C         -3.84659       -1.36080       -5.16704
C         -4.79160       -4.00154       -5.35497
C         -4.68802       -1.74036       -6.21543
F         -3.43317       -0.09658       -5.10218
C         -5.15543       -3.04623       -6.30791
F         -5.27080       -5.23744       -5.47463
F         -5.05598       -0.84928       -7.13140
F         -5.95636       -3.38256       -7.31459
149
l_tfpi_dimer_rh_cod_47.log
C         -0.02947       -4.77320       -2.01779
C          0.34784       -4.95935       -3.34611
C          0.01010       -3.98592       -4.28025
C         -0.65555       -2.82936       -3.88656
C         -1.01641       -2.64711       -2.55141
C         -0.72443       -3.63686       -1.61758
C         -1.75022       -1.39926       -2.15087
O         -1.51445       -1.08576       -0.74730
H          0.90333       -5.84397       -3.64010
H          0.30067       -4.11606       -5.31863
H         -0.87588       -2.05363       -4.61622
H         -1.01648       -3.52065       -0.58010
H         -2.83205       -1.55141       -2.23036
H         -1.46874       -0.55813       -2.78968
C         -3.94184        4.17148        1.77907
C         -4.91125        4.64677        2.65208
C         -4.54594        4.91043        3.97072
C         -3.24516        4.67935        4.40210
C         -2.27839        4.19719        3.51462
C         -2.62921        3.95908        2.19096
C         -0.89294        3.91410        4.03700
O          0.02033        3.52001        2.99794
H         -5.92998        4.80012        2.30930
H         -5.28805        5.28674        4.66845
H         -2.97639        4.86981        5.43875
H         -1.90152        3.60908        1.46642
H         -0.91730        3.16166        4.83581
H         -0.45797        4.82355        4.46588
Rh        -1.29363        0.41028        2.09334
C         -1.58456       -1.83083        2.18804
C         -2.83365       -1.26559        1.98153
C         -2.46735        0.76772        3.99045
C         -1.35377        0.04632        4.37441
C         -1.04987       -2.33524        3.49683
H         -1.04800       -2.20820        1.31988
C         -3.89425       -1.12581        3.04756
H         -3.17840       -1.17675        0.95433
C         -3.85175        0.24370        3.74390
H         -2.42194        1.84805        4.09478
C         -1.34903       -1.42960        4.70442
H         -0.50323        0.61338        4.74944
H          0.03187       -2.45762        3.38978
H         -1.45431       -3.34451        3.67481
H         -4.87514       -1.24168        2.57520
H         -3.79927       -1.93649        3.77573
H         -4.37428        0.97793        3.12167
H         -4.39403        0.20548        4.70186
H         -2.30982       -1.69384        5.15599
H         -0.58584       -1.60714        5.46890
P         -0.74524        0.16709       -0.10833
O          0.85779       -0.06993       -0.26788
O         -1.08911        1.27256       -1.27418
C          1.41940       -0.35782       -1.51374
C         -0.23054        2.28190       -1.69276
C          1.99894       -1.62942       -1.64736
C          1.44924        0.60462       -2.50283
C          1.00200        1.99331       -2.24873
C         -0.74013        3.58909       -1.59994
C          2.59581       -1.97165       -2.83031
H          1.96591       -2.31232       -0.80479
C          1.94707        0.20127       -3.78890
C          1.85241        3.10712       -2.56907
C          0.01128        4.64524       -2.03822
H         -1.73236        3.73649       -1.18686
C          2.55194       -1.08847       -3.93561
H          3.07126       -2.94215       -2.94592
C          1.82966        1.01829       -4.94073
C          1.33195        4.43827       -2.50187
C          3.22035        2.94455       -2.90275
H         -0.38273        5.65714       -1.98998
C          3.06244       -1.47830       -5.19776
C          2.31504        0.60017       -6.15770
H          1.33391        1.98023       -4.86424
C          2.16424        5.53240       -2.83974
C          4.01299        4.03083       -3.19204
H          3.65287        1.94988       -2.91120
C          2.95304       -0.65086       -6.28839
H          3.52654       -2.45758       -5.28772
H          2.20011        1.23883       -7.02915
C          3.47957        5.33629       -3.18254
H          1.74598        6.53511       -2.79410
H          5.06346        3.88057       -3.42555
H          3.33964       -0.96259       -7.25455
H          4.11543        6.18284       -3.42579
P          0.25238        2.04922        2.36659
O          1.55072        1.60097        3.29040
O          0.99161        2.51284        0.99160
C          2.38290        0.64382        2.70086
C          2.21712        3.18341        1.04828
C          2.29325       -0.67724        3.16540
C          3.26067        1.03989        1.70886
C          3.35951        2.47410        1.35960
C          2.21634        4.55046        0.73159
C          3.07358       -1.64619        2.58850
H          1.61151       -0.89840        3.98025
C          4.01799        0.02428        1.04567
C          4.59697        3.19419        1.41225
C          3.40485        5.23148        0.71015
H          1.27484        5.03495        0.49672
C          3.92864       -1.32940        1.50534
H          3.02609       -2.67346        2.94072
C          4.81607        0.29597       -0.09374
C          4.61531        4.58000        1.04882
C          5.80760        2.60273        1.85264
H          3.42821        6.28650        0.45011
C          4.68134       -2.33476        0.84917
C          5.51824       -0.70654       -0.71940
H          4.86174        1.30865       -0.48134
C          5.84139        5.28909        1.07244
C          6.97777        3.32426        1.87955
H          5.80838        1.56920        2.18193
C          5.46447       -2.03175       -0.23756
H          4.61312       -3.35606        1.21670
H          6.11476       -0.47747       -1.59828
C          7.00296        4.67402        1.47057
H          5.83937        6.33647        0.78054
H          7.89234        2.85034        2.22524
H          6.03106       -2.81175       -0.73844
H          7.93738        5.22775        1.48988
N         -4.27660        3.87123        0.42639
C         -4.63808        4.83830       -0.52952
C         -4.18051        2.58245       -0.12495
C         -4.79231        4.09190       -1.80216
O         -4.76880        6.02236       -0.31896
C         -4.51535        2.74286       -1.55926
O         -3.88338        1.57343        0.47931
C         -5.10563        4.53098       -3.06862
C         -4.54572        1.82127       -2.58028
C         -5.13734        3.59968       -4.11036
F         -5.37383        5.80547       -3.34227
C         -4.85830        2.25983       -3.86917
F         -4.28686        0.52945       -2.38934
F         -5.43648        3.99224       -5.34495
F         -4.89099        1.39323       -4.87750
N          0.31902       -5.74675       -1.03903
C          0.96207       -5.43980        0.17405
C          0.07099       -7.12835       -1.17048
C          1.14498       -6.73492        0.86724
O          1.29719       -4.33478        0.54308
C          0.61869       -7.74762        0.06063
O         -0.48730       -7.66082       -2.10213
C          1.72733       -7.02611        2.07989
C          0.66791       -9.06447        0.45904
C          1.78411       -8.36052        2.48918
F          2.23656       -6.08970        2.87904
C          1.26033       -9.36842        1.68802
F          0.18175      -10.05855       -0.28042
F          2.34301       -8.67576        3.65398
F          1.32693      -10.63044        2.10129
149
l_tfpi_dimer_rh_cod_48.log
C         -1.33064       -4.41910        1.07084
C         -1.68099       -5.74512        1.30139
C         -0.68761       -6.64337        1.68065
C          0.62979       -6.22201        1.81301
C          0.97352       -4.88889        1.57182
C         -0.01451       -3.98039        1.20486
C          2.41664       -4.48441        1.71439
O          2.57238       -3.04923        1.75781
H         -2.70986       -6.06933        1.18296
H         -0.94636       -7.68088        1.87005
H          1.39905       -6.93083        2.11106
H          0.21991       -2.93570        1.02996
H          3.03132       -4.91671        0.91402
H          2.82078       -4.85329        2.66301
C         -3.65216        0.84874        2.70648
C         -3.66602       -0.28594        3.51379
C         -2.49780       -1.02976        3.65688
C         -1.33986       -0.65921        2.98529
C         -1.33878        0.46990        2.16128
C         -2.49578        1.23189        2.02753
C         -0.09857        0.86045        1.42038
O          0.23592       -0.25643        0.51714
H         -4.57618       -0.58587        4.02199
H         -2.50166       -1.91155        4.28990
H         -0.43258       -1.24798        3.09673
H         -2.49428        2.11973        1.40343
H          0.75798        0.98498        2.09124
H         -0.25008        1.78010        0.85032
Rh         1.98415       -2.07800       -1.47418
C          2.10870       -4.29795       -2.01323
C          3.31875       -3.75439       -2.38299
C          2.11780       -1.39604       -3.60977
C          0.92911       -2.10137       -3.49579
C          0.93524       -4.57769       -2.90422
H          2.05784       -4.77701       -1.03625
C          3.72592       -3.38071       -3.78835
H          4.12486       -3.83895       -1.65877
C          3.42553       -1.91108       -4.13592
H          2.05991       -0.30829       -3.55559
C          0.69209       -3.51144       -3.98609
H          0.03154       -1.51963       -3.30291
H          0.04610       -4.65561       -2.27168
H          1.07638       -5.56647       -3.36870
H          4.80477       -3.54112       -3.88593
H          3.24360       -4.05469       -4.50074
H          4.21862       -1.27420       -3.72639
H          3.45260       -1.76941       -5.22814
H          1.30571       -3.70479       -4.87008
H         -0.35149       -3.58635       -4.30820
P          3.06440       -2.14577        0.51248
O          3.12913       -0.70699        1.27256
O          4.66520       -2.57596        0.48457
C          3.93936       -0.57119        2.40559
C          5.57683       -1.60931        0.04963
C          3.29530       -0.46852        3.64850
C          5.30697       -0.49632        2.24688
C          5.89225       -0.55576        0.88946
C          6.16913       -1.77873       -1.21355
C          4.05326       -0.30700        4.77890
H          2.21171       -0.51718        3.68817
C          6.11083       -0.40699        3.42880
C          6.75669        0.46861        0.38577
C          7.05960       -0.84278       -1.67222
H          5.92621       -2.65350       -1.80569
C          5.46724       -0.29019        4.70325
H          3.57591       -0.21548        5.75103
C          7.52600       -0.47414        3.39499
C          7.35421        0.30928       -0.90605
C          6.99852        1.67346        1.09217
H          7.52977       -0.96586       -2.64444
C          6.25875       -0.18656        5.87338
C          8.26394       -0.38669        4.55184
H          8.03114       -0.60814        2.44420
C          8.20437        1.32416       -1.40979
C          7.81453        2.64703        0.56636
H          6.51969        1.83466        2.05238
C          7.62957       -0.22688        5.80156
H          5.75600       -0.08639        6.83224
H          9.34759       -0.44804        4.50345
C          8.43570        2.46910       -0.68800
H          8.65790        1.18251       -2.38787
H          7.97745        3.56726        1.12041
H          8.22767       -0.15140        6.70520
H          9.08343        3.24565       -1.08478
P          1.04614       -0.13402       -0.85055
O          1.96902        1.19400       -0.56258
O          0.01558        0.46236       -1.98159
C          2.59309        1.71871       -1.70023
C         -0.42468        1.78903       -1.92004
C          3.94548        1.40397       -1.90340
C          1.85481        2.50870       -2.55875
C          0.44956        2.81804       -2.21517
C         -1.77550        1.99544       -1.59579
C          4.57779        1.87931       -3.02287
H          4.45783        0.78920       -1.17029
C          2.48467        2.94787       -3.76616
C         -0.03681        4.16039       -2.10056
C         -2.26716        3.27368       -1.55298
H         -2.40355        1.14004       -1.37413
C          3.86721        2.63865       -3.98429
H          5.62723        1.65421       -3.19600
C          1.77943        3.63280       -4.78672
C         -1.41767        4.38047       -1.78938
C          0.80743        5.29082       -2.23612
H         -3.31137        3.44874       -1.30915
C          4.49470        3.07558       -5.17677
C          2.41596        4.02869       -5.93922
H          0.72139        3.83686       -4.65833
C         -1.90550        5.70663       -1.69023
C          0.30434        6.56514       -2.11992
H          1.86604        5.14716       -2.42486
C          3.78780        3.76209       -6.13324
H          5.54700        2.84442       -5.32355
H          1.85494        4.54683       -6.71197
C         -1.06548        6.77961       -1.85946
H         -2.95885        5.85558       -1.46531
H          0.97130        7.41659       -2.22281
H          4.27721        4.08846       -7.04647
H         -1.44769        7.79313       -1.77766
N         -4.83837        1.61956        2.55686
C         -5.33286        2.07339        1.32147
C         -5.65466        2.03322        3.63333
C         -6.57842        2.80728        1.63267
O         -4.82431        1.87793        0.23761
C         -6.77243        2.78482        3.01623
O         -5.44662        1.81160        4.80353
C         -7.48364        3.42338        0.79874
C         -7.86752        3.39575        3.58457
C         -8.59816        4.04435        1.36831
F         -7.33930        3.45135       -0.52433
C         -8.78744        4.03075        2.74535
F         -8.09056        3.39921        4.89625
F         -9.49106        4.65087        0.59237
F         -9.85775        4.62574        3.26259
N         -2.33111       -3.48884        0.66865
C         -3.53494       -3.26816        1.36770
C         -2.27045       -2.75191       -0.52675
C         -4.29077       -2.28895        0.54995
O         -3.85461       -3.79554        2.40822
C         -3.54413       -2.00050       -0.59523
O         -1.35473       -2.76232       -1.32084
C         -5.52055       -1.70391        0.75472
C         -4.03947       -1.16495       -1.57102
C         -6.01780       -0.83761       -0.22067
F         -6.25308       -1.92930        1.84404
C         -5.28888       -0.57455       -1.37417
F         -3.36982       -0.89031       -2.69034
F         -7.19119       -0.23499       -0.04089
F         -5.78287        0.25932       -2.28287
149
l_tfpi_dimer_rh_cod_49.log
C         -0.04344       -4.74634       -2.04117
C          0.35305       -4.93069       -3.36414
C          0.04582       -3.94677       -4.29784
C         -0.60838       -2.78233       -3.90822
C         -0.98831       -2.60215       -2.57809
C         -0.72723       -3.60167       -1.64555
C         -1.70920       -1.34568       -2.18160
O         -1.48473       -1.04072       -0.77403
H          0.89987       -5.82190       -3.65429
H          0.35170       -4.07535       -5.33200
H         -0.80469       -1.99911       -4.63668
H         -1.03487       -3.48694       -0.61237
H         -2.79212       -1.48201       -2.27366
H         -1.40848       -0.50630       -2.81385
C         -3.87487        4.24412        1.72402
C         -4.84866        4.73209        2.58508
C         -4.49639        4.99047        3.90828
C         -3.20419        4.74227        4.35559
C         -2.23291        4.24734        3.48010
C         -2.57052        4.01359        2.15219
C         -0.85781        3.94728        4.01987
O          0.06328        3.53997        2.99296
H         -5.86063        4.89985        2.22928
H         -5.24203        5.37642        4.59692
H         -2.94566        4.92953        5.39542
H         -1.83862        3.65388        1.43673
H         -0.90143        3.19687        4.81969
H         -0.41675        4.85204        4.45252
Rh        -1.27782        0.44797        2.07185
C         -1.60379       -1.78920        2.15821
C         -2.84189       -1.20501        1.93916
C         -2.46796        0.81985        3.95583
C         -1.36963        0.08127        4.35102
C         -1.09038       -2.30297        3.47189
H         -1.06372       -2.17340        1.29525
C         -3.91148       -1.05087        2.99408
H         -3.17384       -1.10869        0.90838
C         -3.85705        0.31791        3.69061
H         -2.40775        1.89908        4.06371
C         -1.38955       -1.39525        4.67800
H         -0.51536        0.63543        4.73661
H         -0.00936       -2.44002        3.37616
H         -1.51050       -3.30683        3.64403
H         -4.88903       -1.15366        2.51187
H         -3.83416       -1.86238        3.72322
H         -4.35869        1.06051        3.06100
H         -4.41316        0.28870        4.64090
H         -2.35858       -1.64677        5.11911
H         -0.63697       -1.58507        5.45000
P         -0.70564        0.19972       -0.12274
O          0.89568       -0.05954       -0.26223
O         -1.01885        1.31252       -1.29013
C          1.46929       -0.35426       -1.50093
C         -0.14023        2.30909       -1.69729
C          2.03337       -1.63349       -1.62806
C          1.52545        0.60854       -2.48859
C          1.09461        2.00325       -2.23881
C         -0.63186        3.62351       -1.60898
C          2.64136       -1.98288       -2.80319
H          1.98049       -2.31612       -0.78628
C          2.03484        0.19930       -3.76828
C          1.96467        3.10510       -2.54775
C          0.13975        4.66916       -2.03706
H         -1.62688        3.78487       -1.20798
C          2.62431       -1.09827       -3.90810
H          3.10546       -2.95952       -2.91312
C          1.94338        1.01842       -4.92098
C          1.46269        4.44356       -2.48510
C          3.33398        2.92331       -2.86562
H         -0.24003        5.68661       -1.99207
C          3.14644       -1.49401       -5.16361
C          2.43919        0.59459       -6.13177
H          1.45960        1.98689       -4.85043
C          2.31445        5.52591       -2.81231
C          4.14539        3.99831       -3.14486
H          3.75219        1.92257       -2.87003
C          3.06240       -0.66459       -6.25498
H          3.59867       -2.47930       -5.24812
H          2.34411        1.23523       -7.00415
C          3.63067        5.31129       -3.14015
H          1.91008        6.53444       -2.77040
H          5.19620        3.83310       -3.36642
H          3.45772       -0.98083       -7.21612
H          4.28125        6.14879       -3.37561
P          0.28549        2.06568        2.36622
O          1.56442        1.60092        3.30844
O          1.05058        2.51895        1.00190
C          2.38989        0.63025        2.73147
C          2.28529        3.17043        1.07533
C          2.27367       -0.68878        3.19598
C          3.28688        1.01160        1.75097
C          3.41243        2.44381        1.40197
C          2.30980        4.53736        0.75887
C          3.04566       -1.67042        2.62940
H          1.57905       -0.89899        4.00280
C          4.03665       -0.01639        1.09827
C          4.66016        3.14475        1.47064
C          3.50874        5.20009        0.75353
H          1.37918        5.03624        0.51114
C          3.91917       -1.36823        1.55693
H          2.97742       -2.69651        2.98178
C          4.85430        0.24179       -0.03038
C          4.70451        4.53013        1.10789
C          5.85578        2.53473        1.92643
H          3.55161        6.25473        0.49446
C          4.66357       -2.38617        0.91082
C          5.54869       -0.77228       -0.64602
H          4.92109        1.25336       -0.41778
C          5.94090        5.22029        1.14757
C          7.03657        3.23808        1.96830
H          5.83679        1.50117        2.25504
C          5.46643       -2.09634       -0.16506
H          4.57292       -3.40620        1.27710
H          6.16082       -0.55345       -1.51673
C          7.08769        4.58742        1.56038
H          5.95870        6.26768        0.85629
H          7.93909        2.75017        2.32597
H          6.02643       -2.88579       -0.65846
H          8.03025        5.12661        1.59147
N         -4.19677        3.95136        0.36647
C         -4.52674        4.92662       -0.59249
C         -4.11200        2.66269       -0.18703
C         -4.67434        4.18579       -1.86916
O         -4.64051        6.11229       -0.38116
C         -4.42354        2.83175       -1.62560
O         -3.83839        1.64810        0.41891
C         -4.96192        4.63311       -3.13882
C         -4.45565        1.91315       -2.64927
C         -4.99442        3.70495       -4.18332
F         -5.20484        5.91256       -3.41285
C         -4.74225        2.35993       -3.94137
F         -4.22213        0.61652       -2.45800
F         -5.26782        4.10560       -5.42127
F         -4.77593        1.49610       -4.95207
N          0.27280       -5.73053       -1.06211
C          0.89682       -5.43906        0.16473
C          0.00656       -7.10740       -1.20542
C          1.04490       -6.73977        0.85566
O          1.24181       -4.34091        0.54478
C          0.51963       -7.74054        0.03360
O         -0.54102       -7.62719       -2.15049
C          1.59448       -7.04505        2.08014
C          0.53805       -9.05947        0.42762
C          1.61876       -8.38155        2.48565
F          2.10053       -6.12000        2.89442
C          1.09655       -9.37758        1.66875
F          0.05165      -10.04243       -0.32634
F          2.14396       -8.71083        3.66215
F          1.13224      -10.64200        2.07846
149
l_tfpi_dimer_rh_cod_5.log
C          2.40009       -6.66940       -0.52232
C          2.92439       -7.43879        0.51397
C          3.85583       -6.86683        1.37424
C          4.23334       -5.53686        1.21700
C          3.69633       -4.76881        0.18164
C          2.78621       -5.34556       -0.70365
C          4.01453       -3.30883        0.08433
O          3.08592       -2.58347        0.97785
H          2.60177       -8.46666        0.64768
H          4.27650       -7.46080        2.18012
H          4.94472       -5.08624        1.90464
H          2.36622       -4.76430       -1.51818
H          3.92360       -2.93252       -0.93657
H          5.00903       -3.08275        0.47545
C         -2.87689        4.52956        2.91718
C         -2.94649        4.31680        4.29111
C         -3.17107        3.02686        4.76503
C         -3.34180        1.97107        3.87843
C         -3.26173        2.19200        2.50159
C         -3.02019        3.47476        2.01919
C         -3.43865        1.06103        1.53533
O         -2.47240       -0.02952        1.74069
H         -2.84096        5.14956        4.97882
H         -3.23299        2.85444        5.83545
H         -3.53412        0.96910        4.25422
H         -2.93995        3.65139        0.95075
H         -3.37429        1.40516        0.50052
H         -4.40234        0.56505        1.68232
Rh         0.05110       -2.00719        1.99525
C          1.21723       -3.37127        3.36218
C          0.70379       -4.18794        2.37234
C         -1.93577       -2.97838        2.44475
C         -1.51180       -2.40020        3.62781
C          0.64896       -3.15144        4.73481
H          2.23971       -3.01795        3.23027
C         -0.49752       -5.09354        2.50421
H          1.35299       -4.39903        1.52404
C         -1.79978       -4.41844        2.04239
H         -2.63068       -2.40466        1.83370
C         -0.88860       -3.13103        4.79520
H         -1.89122       -1.40357        3.84946
H          1.03538       -2.19369        5.10236
H          1.04480       -3.92155        5.41552
H         -0.32991       -5.97496        1.87711
H         -0.58297       -5.45064        3.53319
H         -1.85657       -4.46404        0.94896
H         -2.67112       -4.97770        2.41872
H         -1.29231       -4.14432        4.85913
H         -1.18644       -2.61921        5.71598
P          1.77159       -1.76509        0.56561
O          2.27162       -0.25465        0.20208
O          1.50528       -2.39651       -0.93254
C          3.22015       -0.10991       -0.81588
C          0.79820       -1.63493       -1.86241
C          4.53798        0.17639       -0.42750
C          2.82061       -0.23252       -2.13166
C          1.40768       -0.54127       -2.44732
C         -0.49933       -2.06196       -2.18637
C          5.49449        0.34970       -1.39265
H          4.76638        0.26984        0.62913
C          3.82846       -0.12659       -3.14438
C          0.62006        0.26318       -3.32921
C         -1.22560       -1.35026       -3.10596
H         -0.89385       -2.95124       -1.70390
C          5.17213        0.19413       -2.76246
H          6.51746        0.59009       -1.11475
C          3.56372       -0.37596       -4.51450
C         -0.69911       -0.16855       -3.68137
C          1.07767        1.50733       -3.83065
H         -2.22652       -1.67166       -3.38235
C          6.16817        0.31606       -3.76251
C          4.55801       -0.26553       -5.45771
H          2.56478       -0.66786       -4.82023
C         -1.47082        0.61940       -4.57067
C          0.29164        2.26131       -4.66939
H          2.05615        1.87236       -3.53483
C          5.86887        0.09855       -5.08491
H          7.17991        0.57198       -3.45742
H          4.33269       -0.46757       -6.50122
C         -0.98616        1.80746       -5.06013
H         -2.46531        0.27259       -4.84118
H          0.65604        3.21867       -5.03163
H          6.64125        0.18885       -5.84343
H         -1.59030        2.40955       -5.73303
P         -0.89411       -0.02075        1.48363
O         -0.44237        1.24990        2.42433
O         -0.62303        0.56471       -0.01537
C          0.85857        1.72491        2.24515
C         -0.75608        1.91345       -0.35740
C          1.80161        1.40158        3.23360
C          1.14620        2.50246        1.14149
C          0.07638        2.87203        0.19005
C         -1.71495        2.20367       -1.34388
C          3.08718        1.85865        3.10518
H          1.48652        0.80596        4.08522
C          2.51058        2.89574        0.94771
C         -0.15208        4.23880       -0.18686
C         -1.87533        3.49326       -1.77443
H         -2.30079        1.38903       -1.75732
C          3.47606        2.59821        1.96212
H          3.82812        1.63796        3.86918
C          2.96100        3.52625       -0.23927
C         -1.11508        4.54101       -1.20167
C          0.52081        5.31975        0.43556
H         -2.60138        3.72708       -2.54861
C          4.81852        3.01680        1.78784
C          4.27658        3.89736       -0.38783
H          2.25874        3.70797       -1.04592
C         -1.30841        5.88647       -1.60178
C          0.31077        6.61519        0.02500
H          1.20785        5.12275        1.25105
C          5.21204        3.66216        0.64138
H          5.53568        2.79864        2.57555
H          4.60002        4.37023       -1.31110
C         -0.59813        6.90426       -1.01382
H         -2.03677        6.09590       -2.38153
H          0.84347        7.42530        0.51586
H          6.24535        3.97272        0.51446
H         -0.74967        7.93281       -1.33011
N         -2.67165        5.84570        2.41675
C         -1.64383        6.70602        2.84873
C         -3.51717        6.46129        1.47319
C         -1.85887        7.97663        2.11554
O         -0.77680        6.42903        3.64612
C         -2.97701        7.82868        1.29131
O         -4.48124        5.95183        0.94746
C         -1.12309        9.13969        2.10527
C         -3.37647        8.84411        0.45256
C         -1.52463       10.17671        1.26000
F         -0.03889        9.31262        2.85925
C         -2.64133       10.03167        0.44464
F         -4.42568        8.73631       -0.36071
F         -0.83593       11.31440        1.22764
F         -3.00387       11.03548       -0.34964
N          1.42491       -7.22933       -1.39487
C          0.15687       -6.65830       -1.60753
C          1.59997       -8.42277       -2.12195
C         -0.53058       -7.56386       -2.55657
O         -0.25916       -5.64451       -1.09057
C          0.32889       -8.62419       -2.85971
O          2.59711       -9.10774       -2.12452
C         -1.79122       -7.49505       -3.10499
C         -0.06561       -9.62983       -3.71348
C         -2.19890       -8.51310       -3.97054
F         -2.63608       -6.49908       -2.84417
C         -1.34507       -9.56743       -4.27295
F          0.71810      -10.65948       -4.02486
F         -3.41165       -8.47709       -4.51502
F         -1.75714      -10.52314       -5.10058
149
l_tfpi_dimer_rh_cod_50.log
C          0.59927       -4.63971        1.46505
C         -0.36607       -5.63212        1.32913
C         -0.41580       -6.36579        0.14695
C          0.48892       -6.11340       -0.88028
C          1.45637       -5.11671       -0.73770
C          1.50615       -4.37923        0.44480
C          2.46976       -4.85028       -1.81386
O          2.13427       -3.75146       -2.72875
H         -1.05720       -5.83577        2.14167
H         -1.16077       -7.14780        0.03383
H          0.45214       -6.70060       -1.79442
H          2.26729       -3.61781        0.57634
H          2.56857       -5.71360       -2.47479
H          3.44581       -4.62216       -1.37424
C         -4.22880        2.93213        1.27624
C         -3.98135        3.98827        2.15219
C         -2.88492        3.91049        3.00294
C         -2.02845        2.81378        2.95322
C         -2.27864        1.76864        2.06506
C         -3.39729        1.81934        1.23589
C         -1.37009        0.57634        2.03711
O         -1.25465        0.09500        0.66346
H         -4.63411        4.85494        2.16370
H         -2.68104        4.72557        3.69097
H         -1.15376        2.77623        3.59807
H         -3.61945        1.00107        0.55908
H         -1.79457       -0.25578        2.60816
H         -0.38941        0.82763        2.44814
Rh        -0.50057       -2.04684       -1.60492
C         -1.25486       -3.78408       -2.87672
C         -1.18008       -2.66196       -3.68330
C         -2.72159       -1.36867       -1.59312
C         -2.55078       -2.38395       -0.67734
C         -2.51985       -4.37421       -2.29567
H         -0.39309       -4.44873       -2.89104
C         -2.31331       -1.75252       -4.06417
H         -0.29531       -2.55781       -4.31185
C         -3.35222       -1.53332       -2.95403
H         -2.63460       -0.34608       -1.23375
C         -2.87537       -3.83304       -0.89610
H         -2.36878       -2.10746        0.36020
H         -2.37805       -5.45704       -2.21300
H         -3.34657       -4.22301       -2.99501
H         -1.88785       -0.78502       -4.35047
H         -2.80012       -2.15202       -4.96788
H         -3.91333       -0.62102       -3.18293
H         -4.07707       -2.35067       -2.92977
H         -3.94447       -3.99938       -0.69142
H         -2.33024       -4.40925       -0.14180
P          1.62478       -2.29048       -2.28145
O          2.73752       -1.66546       -1.25463
O          2.04034       -1.58820       -3.70554
C          4.04561       -1.40313       -1.68450
C          2.07444       -0.18903       -3.67727
C          5.06567       -2.17116       -1.09960
C          4.28473       -0.38087       -2.58382
C          3.16517        0.43568       -3.10678
C          1.00118        0.49984       -4.26148
C          6.36977       -1.92764       -1.44091
H          4.80112       -2.93009       -0.37055
C          5.63734       -0.18507       -3.01738
C          3.13927        1.86542       -3.02160
C          0.99365        1.86916       -4.23394
H          0.20344       -0.06876       -4.72704
C          6.68708       -0.95044       -2.41421
H          7.17303       -2.49967       -0.98412
C          5.97839        0.71214       -4.06041
C          2.03931        2.58053       -3.59841
C          4.13636        2.60747       -2.34259
H          0.17369        2.42476       -4.68162
C          8.02636       -0.73876       -2.82443
C          7.28686        0.88066       -4.44757
H          5.19390        1.26383       -4.56737
C          2.00257        3.99315       -3.50555
C          4.06520        3.97848       -2.26253
H          4.95676        2.08416       -1.86358
C          8.32429        0.16396       -3.81531
H          8.81236       -1.31877       -2.34709
H          7.52320        1.56826       -5.25488
C          2.99645        4.68198       -2.85462
H          1.16212        4.51973       -3.95121
H          4.83696        4.52462       -1.72751
H          9.35379        0.31495       -4.12741
H          2.95699        5.76529       -2.78385
P          0.05071       -0.45354       -0.09047
O          1.04152       -0.68162        1.20494
O          0.73191        0.83179       -0.84134
C          2.31750       -0.15406        1.37556
C          0.71359        2.03870       -0.13367
C          3.28521       -1.08843        1.78531
C          2.60012        1.19583        1.24654
C          1.55570        2.20267        0.94574
C         -0.18052        3.02369       -0.58243
C          4.57405       -0.69715        2.01452
H          2.98733       -2.12115        1.90733
C          3.97532        1.59956        1.38951
C          1.38188        3.38651        1.73722
C         -0.25619        4.21252        0.09370
H         -0.78658        2.82226       -1.46042
C          4.96175        0.64354        1.79072
H          5.31846       -1.42137        2.33491
C          4.41321        2.91804        1.10828
C          0.49099        4.40987        1.28008
C          2.01954        3.56247        2.99023
H         -0.92692        4.99737       -0.24604
C          6.31314        1.04155        1.93195
C          5.73480        3.27349        1.24566
H          3.70052        3.65489        0.75784
C          0.33041        5.58557        2.05273
C          1.81868        4.70402        3.73031
H          2.66094        2.77650        3.37567
C          6.69602        2.33422        1.67065
H          7.04182        0.29670        2.24241
H          6.04227        4.28939        1.01307
C          0.98245        5.73471        3.25223
H         -0.34213        6.35775        1.68705
H          2.30592        4.81098        4.69554
H          7.73529        2.63190        1.77706
H          0.84278        6.63519        3.84363
N         -5.35647        2.97965        0.40854
C         -5.29400        2.73752       -0.97659
C         -6.67438        3.21667        0.84637
C         -6.69229        2.83472       -1.45945
O         -4.28885        2.50863       -1.61258
C         -7.51676        3.12968       -0.37007
O         -7.01417        3.42600        1.98843
C         -7.22004        2.67421       -2.72067
C         -8.87717        3.26866       -0.52868
C         -8.60014        2.81310       -2.88958
F         -6.47205        2.38385       -3.78373
C         -9.41949        3.10797       -1.80638
F         -9.69458        3.54937        0.48340
F         -9.14122        2.65989       -4.09490
F        -10.72957        3.23667       -1.99515
N          0.68953       -3.88326        2.66970
C          1.82474       -3.88241        3.50232
C         -0.29695       -2.98844        3.11283
C          1.53371       -2.88895        4.56237
O          2.81223       -4.56516        3.34792
C          0.25784       -2.36170        4.33775
O         -1.36112       -2.78863        2.56820
C          2.30860       -2.45124        5.61240
C         -0.26310       -1.40309        5.17802
C          1.78980       -1.46986        6.46079
F          3.53128       -2.92054        5.84739
C          0.51720       -0.95394        6.24671
F         -1.47942       -0.88376        5.01811
F          2.51228       -1.02425        7.48354
F          0.04140       -0.02720        7.07270
149
l_tfpi_dimer_rh_cod_51.log
C          1.16683       -5.61293       -0.25435
C          1.87732       -6.78510        0.00613
C          3.20953       -6.86756       -0.37883
C          3.83232       -5.78516       -0.99572
C          3.11892       -4.61398       -1.24812
C          1.77318       -4.53413       -0.88552
C          3.80119       -3.42329       -1.85315
O          4.19774       -2.47375       -0.80619
H          1.39397       -7.61609        0.50985
H          3.76817       -7.77796       -0.18341
H          4.87957       -5.84779       -1.28007
H          1.20112       -3.63249       -1.08178
H          3.16438       -2.91510       -2.58213
H          4.73925       -3.70856       -2.33510
C         -0.29640        5.19007        0.11936
C          0.56370        6.28050        0.24026
C          1.88173        6.05640        0.62059
C          2.33648        4.76293        0.86453
C          1.47103        3.67846        0.72526
C          0.14384        3.89346        0.35664
C          1.97740        2.27952        0.92090
O          0.93652        1.51011        1.58112
H          0.20552        7.28498        0.03929
H          2.55998        6.89785        0.72603
H          3.36824        4.59483        1.16296
H         -0.54433        3.05958        0.26346
H          2.87647        2.25867        1.54473
H          2.21412        1.83675       -0.05354
Rh         2.21142       -1.55704        1.66551
C          4.25247       -2.32097        2.47671
C          3.44953       -3.39980        2.16964
C          1.43176       -2.04729        3.73075
C          2.13197       -0.84832        3.80345
C          4.50438       -1.79462        3.87025
H          4.96902       -2.00208        1.72248
C          2.65180       -4.21491        3.14722
H          3.58248       -3.85355        1.18893
C          1.93357       -3.38558        4.22743
H          0.35478       -1.97312        3.59567
C          3.54887       -0.65795        4.26412
H          1.54581        0.07115        3.81316
H          5.53008       -1.41454        3.91325
H          4.44408       -2.61803        4.58692
H          1.91175       -4.78655        2.58027
H          3.31822       -4.95387        3.61870
H          1.07157       -3.95927        4.58303
H          2.58181       -3.23158        5.09477
H          3.55175       -0.52141        5.35744
H          3.91315        0.28403        3.83864
P          3.31326       -1.21885       -0.29821
O          4.48308       -0.11136       -0.01544
O          2.70265       -0.73934       -1.76162
C          5.46855        0.05396       -0.99900
C          2.66047        0.58108       -2.20241
C          6.74050       -0.47445       -0.72908
C          5.15380        0.73842       -2.15033
C          3.81358        1.33881       -2.32508
C          1.39852        1.06677       -2.59405
C          7.73152       -0.33093       -1.66384
H          6.91329       -0.98183        0.21502
C          6.15866        0.81999       -3.17083
C          3.66397        2.73063       -2.64057
C          1.26378        2.36599       -3.00251
H          0.54780        0.39842       -2.56786
C          7.46462        0.29500       -2.90626
H          8.72797       -0.72054       -1.47280
C          5.90196        1.36229       -4.45450
C          2.37458        3.24136       -2.99091
C          4.74808        3.64130       -2.57226
H          0.29240        2.74675       -3.30347
C          8.46599        0.38784       -3.90368
C          6.89269        1.42223       -5.40642
H          4.90757        1.72450       -4.69241
C          2.22794        4.61480       -3.30327
C          4.56886        4.97426       -2.85967
H          5.72711        3.28359       -2.27061
C          8.19074        0.94671       -5.12761
H          9.45555       -0.00489       -3.68293
H          6.67082        1.83535       -6.38651
C          3.30367        5.46674       -3.24250
H          1.24149        4.98189       -3.57649
H          5.41077        5.65698       -2.78515
H          8.96430        1.00911       -5.88772
H          3.18156        6.52121       -3.47355
P          0.60939       -0.03566        1.28649
O         -0.13070        0.09586       -0.17635
O         -0.67778       -0.21621        2.27321
C         -1.15253       -0.80080       -0.49221
C         -1.75920        0.66140        2.09937
C         -0.87117       -1.79775       -1.43982
C         -2.39521       -0.64012        0.09280
C         -2.61933        0.48029        1.03376
C         -1.91973        1.66796        3.06396
C         -1.85135       -2.68985       -1.78844
H          0.11867       -1.83642       -1.88265
C         -3.40504       -1.60859       -0.21318
C         -3.68346        1.42772        0.87151
C         -2.97425        2.53616        2.95397
H         -1.20710        1.73421        3.88014
C         -3.12698       -2.63066       -1.17849
H         -1.65110       -3.46623       -2.52273
C         -4.66414       -1.62960        0.43860
C         -3.87172        2.44499        1.86283
C         -4.55034        1.41864       -0.25049
H         -3.12522        3.31371        3.69817
C         -4.12840       -3.58299       -1.49197
C         -5.61240       -2.57024        0.11352
H         -4.87680       -0.89965        1.21224
C         -4.95912        3.34491        1.73761
C         -5.59333        2.31007       -0.34335
H         -4.38955        0.69723       -1.04460
C         -5.35177       -3.54811       -0.87023
H         -3.90275       -4.34747       -2.23172
H         -6.56911       -2.56840        0.62853
C         -5.81796        3.26607        0.66945
H         -5.09882        4.10002        2.50771
H         -6.24946        2.27996       -1.20933
H         -6.11336       -4.28261       -1.11757
H         -6.65632        3.95249        0.58879
N         -1.65223        5.39998       -0.26089
C         -2.52469        6.29211        0.39176
C         -2.27569        4.74251       -1.33773
C         -3.80708        6.20245       -0.34744
O         -2.25570        6.96130        1.36347
C         -3.65687        5.27438       -1.38075
O         -1.75901        3.92205       -2.06331
C         -5.01268        6.83119       -0.13318
C         -4.71194        4.95567       -2.20469
C         -6.08656        6.51797       -0.97028
F         -5.19963        7.71766        0.84265
C         -5.93788        5.59074       -1.99474
F         -4.61501        4.05707       -3.18236
F         -7.26868        7.09830       -0.78225
F         -6.98252        5.29202       -2.76233
N         -0.19260       -5.51566        0.15613
C         -1.17272       -6.48962       -0.12959
C         -0.68907       -4.49844        0.99041
C         -2.38388       -6.05873        0.60534
O         -1.01788       -7.45708       -0.83910
C         -2.09095       -4.87236        1.28349
O         -0.06916       -3.53360        1.38445
C         -3.63310       -6.63090        0.69121
C         -3.03795       -4.25166        2.06616
C         -4.59885       -6.00749        1.48410
F         -3.95729       -7.75038        0.04783
C         -4.30323       -4.83397        2.16733
F         -2.79516       -3.12642        2.73545
F         -5.81842       -6.52871        1.58363
F         -5.24105       -4.26250        2.91652
149
l_tfpi_dimer_rh_cod_52.log
C         -0.87072       -4.47111       -1.17945
C         -0.95347       -5.66708       -0.46716
C          0.21631       -6.25751       -0.00195
C          1.44721       -5.64151       -0.20859
C          1.52239       -4.43754       -0.91133
C          0.35748       -3.86464       -1.42312
C          2.82165       -3.69469       -0.99767
O          2.91756       -2.81195        0.18223
H         -1.91869       -6.12329       -0.27288
H          0.16113       -7.19356        0.54574
H          2.35484       -6.08907        0.18846
H          0.40369       -2.93847       -1.98492
H          2.90986       -3.10248       -1.91099
H          3.68002       -4.36408       -0.90837
C         -4.38001        1.91296        2.01939
C         -4.58599        2.64528        3.18420
C         -3.51283        3.33255        3.74413
C         -2.25506        3.28582        3.15188
C         -2.05714        2.54203        1.98693
C         -3.12639        1.85196        1.41935
C         -0.72824        2.50933        1.29016
O          0.36267        2.45411        2.26430
H         -5.56795        2.67045        3.64663
H         -3.66180        3.90841        4.65264
H         -1.42414        3.82503        3.59759
H         -2.98651        1.26877        0.51356
H         -0.57368        3.42121        0.70117
H         -0.68323        1.64969        0.60851
Rh         1.23483       -0.78525        2.10165
C          1.76457       -2.76008        3.07768
C          0.59116       -2.97399        2.38140
C         -0.66657       -0.52433        3.30540
C          0.36893       -0.46650        4.21699
C          1.89214       -2.49046        4.54953
H          2.69607       -3.03595        2.58534
C         -0.78524       -3.05870        2.99572
H          0.67844       -3.35942        1.36698
C         -1.52389       -1.71017        2.97490
H         -1.05976        0.42524        2.94625
C          0.79390       -1.58618        5.13988
H          0.72364        0.52614        4.49395
H          2.87035       -2.02779        4.71811
H          1.91311       -3.45159        5.08701
H         -1.37419       -3.77862        2.41756
H         -0.71738       -3.45477        4.01207
H         -1.94860       -1.54606        1.97894
H         -2.38111       -1.73539        3.66585
H         -0.08360       -2.17292        5.42399
H          1.18049       -1.13836        6.06086
P          2.49003       -1.26879        0.29408
O          3.88161       -0.42333        0.20664
O          1.84640       -1.06062       -1.20282
C          4.71069       -0.65909       -0.89518
C          1.91043        0.16026       -1.86661
C          5.88052       -1.39785       -0.65907
C          4.36348       -0.14825       -2.12995
C          3.12819        0.65279       -2.29488
C          0.68500        0.79682       -2.12247
C          6.73523       -1.64563       -1.70036
H          6.08720       -1.74567        0.34801
C          5.20948       -0.47584       -3.24131
C          3.13772        1.95398       -2.89295
C          0.67885        1.98953       -2.79677
H         -0.23069        0.32036       -1.78451
C          6.41849       -1.20920       -3.00944
H          7.65567       -2.19982       -1.53620
C          4.87577       -0.14471       -4.57863
C          1.89527        2.60751       -3.17459
C          4.34048        2.64900       -3.17358
H         -0.25985        2.49072       -3.01923
C          7.26547       -1.51800       -4.10218
C          5.71178       -0.47585       -5.61897
H          3.94145        0.36578       -4.78512
C          1.90624        3.88552       -3.78466
C          4.31581        3.90245       -3.73868
H          5.29131        2.18855       -2.92517
C          6.92580       -1.15344       -5.38167
H          8.18502       -2.06403       -3.90629
H          5.42988       -0.21871       -6.63625
C          3.09065        4.52110       -4.06599
H          0.95459        4.36392       -4.00410
H          5.24946        4.42353       -3.93170
H          7.57930       -1.39965       -6.21371
H          3.08842        5.50709       -4.52209
P          1.57071        1.43100        1.92728
O          2.60719        2.02781        3.05084
O          2.21243        1.98457        0.53235
C          3.93381        1.61818        2.83665
C          2.84989        3.22875        0.49488
C          4.43474        0.57965        3.63611
C          4.67103        2.24813        1.85423
C          4.07564        3.38147        1.11218
C          2.22217        4.24793       -0.23744
C          5.71413        0.13389        3.42378
H          3.80015        0.15657        4.40860
C          5.97405        1.73287        1.56860
C          4.69545        4.67114        1.05498
C          2.84116        5.46441       -0.35699
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C          6.50181        0.67740        2.37995
H          6.12810       -0.66174        4.03779
C          6.74206        2.18348        0.46644
C          4.07776        5.71046        0.28635
C          5.88397        4.97837        1.76365
H          2.37907        6.26017       -0.93537
C          7.79554        0.17165        2.10116
C          7.98466        1.65402        0.20931
H          6.33533        2.94939       -0.18594
C          4.70043        6.98017        0.20726
C          6.45482        6.22622        1.67682
H          6.34265        4.22029        2.38969
C          8.52616        0.65206        1.04197
H          8.19100       -0.61931        2.73401
H          8.55264        2.00682       -0.64715
C          5.86998        7.23361        0.88098
H          4.22477        7.75420       -0.39013
H          7.36315        6.44081        2.23300
H          9.51353        0.25078        0.83141
H          6.33784        8.21195        0.81750
N         -5.46710        1.20604        1.42596
C         -5.48859       -0.18585        1.23453
C         -6.62812        1.83044        0.93206
C         -6.78216       -0.47396        0.56954
O         -4.61566       -0.96005        1.55903
C         -7.46129        0.73303        0.38054
O         -6.85505        3.01827        0.95635
C         -7.31133       -1.66158        0.11658
C         -8.68166        0.76390       -0.25584
C         -8.54846       -1.63787       -0.53271
F         -6.68782       -2.83030        0.26104
C         -9.22588       -0.43804       -0.71709
F         -9.35746        1.89167       -0.46100
F         -9.07886       -2.76683       -0.99370
F        -10.39814       -0.44106       -1.34345
N         -2.05887       -3.83573       -1.63739
C         -2.35114       -2.47652       -1.41297
C         -3.09378       -4.49107       -2.33522
C         -3.67764       -2.24821       -2.03231
O         -1.64960       -1.68845       -0.81730
C         -4.13142       -3.45692       -2.56695
O         -3.09521       -5.65302       -2.67074
C         -4.44292       -1.10736       -2.11820
C         -5.36142       -3.54189       -3.18068
C         -5.68901       -1.18338       -2.74532
F         -4.04928        0.06588       -1.62217
C         -6.14637       -2.38844       -3.26574
F         -5.83425       -4.67590       -3.69010
F         -6.45532       -0.09923       -2.83605
F         -7.34434       -2.43752       -3.84000
149
l_tfpi_dimer_rh_cod_53.log
C         -1.69738       -3.81819       -1.45317
C         -1.70926       -5.20192       -1.64505
C         -0.59358       -5.81913       -2.19219
C          0.54112       -5.07281       -2.50105
C          0.55361       -3.69353       -2.30191
C         -0.58916       -3.05560       -1.80436
C          1.82510       -2.92161       -2.51458
O          2.44603       -2.63574       -1.21228
H         -2.57431       -5.78763       -1.35212
H         -0.59778       -6.89387       -2.34710
H          1.42957       -5.56671       -2.88577
H         -0.60662       -1.98002       -1.66039
H          1.66213       -1.98763       -3.05745
H          2.56586       -3.52272       -3.04638
C         -3.69073        2.25049        1.53821
C         -4.19289        3.47604        1.96298
C         -3.52917        4.15358        2.98248
C         -2.37786        3.62310        3.55044
C         -1.87571        2.39633        3.10771
C         -2.53911        1.70191        2.10302
C         -0.61582        1.87158        3.74230
O         -0.22225        0.60527        3.14678
H         -5.08131        3.89607        1.50340
H         -3.91080        5.11073        3.32519
H         -1.85865        4.16755        4.33593
H         -2.16538        0.74555        1.75603
H         -0.77696        1.66502        4.80648
H          0.19383        2.60599        3.66285
Rh         1.30859       -1.82889        1.74334
C          2.39538       -3.85758        1.76461
C          1.12068       -4.03668        1.26527
C          0.24373       -2.58521        3.60298
C          1.51830       -2.19801        3.97950
C          2.81175       -4.25170        3.16303
H          3.20238       -3.69982        1.05082
C         -0.05039       -4.58750        2.03010
H          0.99640       -4.02415        0.18501
C         -0.20938       -4.02055        3.45514
H         -0.54769       -1.84339        3.70153
C          2.69998       -3.10487        4.18091
H          1.63366       -1.21279        4.43096
H          3.85432       -4.58418        3.13273
H          2.21763       -5.11250        3.48332
H         -0.95351       -4.37634        1.45231
H          0.03657       -5.68423        2.07367
H         -1.26825       -4.07101        3.72910
H          0.32854       -4.64092        4.17866
H          2.66704       -3.51002        5.20470
H          3.60476       -2.49219        4.12664
P          2.15443       -1.33561       -0.29823
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O          1.31057       -0.42227       -1.36463
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C          1.63095        0.82810       -1.87395
C          5.48293       -1.45403       -1.40319
C          3.97591        0.15639       -2.47836
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C          0.53881        1.71105       -1.93760
C          6.22627       -1.57242       -2.54719
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C          4.67440       -0.05858       -3.71521
C          3.09369        2.51269       -2.78281
C          0.70861        2.97486       -2.42786
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C          5.82489       -0.91090       -3.73336
H          7.10800       -2.20740       -2.56823
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C          1.99046        3.42343       -2.82238
C          4.37275        3.01046       -3.13507
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C          6.52787       -1.10545       -4.94756
C          4.92982        0.27252       -6.10858
H          3.33876        1.10657       -4.96281
C          2.19816        4.76152       -3.23600
C          4.54451        4.31716       -3.52863
H          5.23607        2.35820       -3.07105
C          6.09605       -0.52038       -6.11250
H          7.40851       -1.74311       -4.93958
H          4.56956        0.70341       -7.03864
C          3.44987        5.20295       -3.58968
H          1.34421        5.43430       -3.25968
H          5.53924        4.67308       -3.78253
H          6.63728       -0.68203       -7.04039
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P          1.09266        0.34467        2.27036
O          2.21208        1.04469        3.25672
O          1.10012        1.38637        1.01003
C          3.47663        1.22954        2.68607
C          1.32319        2.76019        1.16266
C          4.48974        0.33564        3.06464
C          3.67275        2.28097        1.81382
C          2.56518        3.22633        1.55032
C          0.25278        3.60555        0.82537
C          5.73786        0.46938        2.51778
H          4.26293       -0.43578        3.79232
C          4.95672        2.38981        1.18635
C          2.70914        4.64048        1.74411
C          0.41156        4.96195        0.92303
H         -0.67698        3.16222        0.48583
C          5.99651        1.47557        1.55666
H          6.53920       -0.20701        2.80355
C          5.23426        3.34279        0.17629
C          1.62528        5.51143        1.40069
C          3.87302        5.21519        2.31326
H         -0.40270        5.62963        0.65365
C          7.26844        1.58178        0.94319
C          6.47952        3.41618       -0.40256
H          4.44873        4.01347       -0.15561
C          1.77501        6.90956        1.57141
C          3.97946        6.57563        2.48310
H          4.68570        4.57077        2.63101
C          7.51097        2.53822       -0.01218
H          8.04727        0.88418        1.24141
H          6.66618        4.15213       -1.17918
C          2.93112        7.43516        2.09385
H          0.94753        7.55698        1.29162
H          4.87865        6.99183        2.92876
H          8.48961        2.61248       -0.47786
H          3.03450        8.50847        2.22579
N         -4.35460        1.53778        0.49784
C         -5.73999        1.27484        0.46799
C         -3.69717        1.00352       -0.62284
C         -5.97292        0.51824       -0.78686
O         -6.53917        1.58774        1.32076
C         -4.74597        0.34223       -1.43020
O         -2.51156        1.08942       -0.85568
C         -7.12189       -0.04495       -1.29609
C         -4.64960       -0.39631       -2.58839
C         -7.03550       -0.79109       -2.47491
F         -8.30793        0.08035       -0.70471
C         -5.81193       -0.96862       -3.11201
F         -3.49182       -0.61007       -3.21109
F         -8.12520       -1.35176       -2.98834
F         -5.75508       -1.69600       -4.22223
N         -2.81555       -3.20666       -0.81312
C         -2.71023       -2.42462        0.35724
C         -4.15924       -3.52067       -1.11185
C         -4.09370       -2.28234        0.86747
O         -1.68757       -1.97568        0.82761
C         -4.96269       -2.92326       -0.01924
O         -4.54075       -4.14653       -2.07464
C         -4.56996       -1.66700        2.00390
C         -6.32140       -2.92898        0.20419
C         -5.94695       -1.67655        2.24281
F         -3.77333       -1.07478        2.89050
C         -6.81341       -2.30047        1.35213
F         -7.18566       -3.50881       -0.62606
F         -6.43749       -1.09212        3.32993
F         -8.11894       -2.29289        1.59751
149
l_tfpi_dimer_rh_cod_54.log
C         -1.19027       -4.73062       -1.73161
C         -1.17343       -5.78347       -0.82132
C         -1.31819       -5.50683        0.53556
C         -1.50011       -4.20052        0.97233
C         -1.51884       -3.14913        0.05128
C         -1.35200       -3.41399       -1.30423
C         -1.74091       -1.74114        0.50807
O         -0.69313       -1.37648        1.46692
H         -1.05685       -6.80474       -1.16857
H         -1.30822       -6.32347        1.25126
H         -1.63550       -3.99417        2.03098
H         -1.34281       -2.60172       -2.02445
H         -2.68160       -1.65644        1.05951
H         -1.74800       -1.04880       -0.33611
C         -3.09119        2.75956        3.54903
C         -3.70061        2.80078        4.79948
C         -3.04851        3.44626        5.84559
C         -1.81025        4.04984        5.64008
C         -1.20546        4.00712        4.38325
C         -1.85210        3.35125        3.33640
C          0.11833        4.66975        4.13213
O          1.27333        3.76964        4.23140
H         -4.67671        2.34695        4.94425
H         -3.51711        3.48894        6.82427
H         -1.31336        4.56543        6.45799
H         -1.40137        3.32536        2.34992
H          0.32079        5.43265        4.88628
H          0.13629        5.13385        3.14115
Rh         0.40511        0.53263        3.81533
C          0.55898       -1.70285        4.23029
C         -0.71613       -1.30664        4.58775
C          0.16359        1.07218        6.00261
C          1.42885        0.53193        5.88199
C          1.72475       -1.89965        5.15580
H          0.68961       -2.15524        3.24889
C         -1.18838       -1.09711        6.00779
H         -1.49768       -1.40555        3.83653
C         -1.08151        0.36867        6.45861
H          0.08766        2.15854        5.97680
C          1.82997       -0.86731        6.29148
H          2.25244        1.23421        5.76021
H          2.63553       -1.86523        4.54908
H          1.67660       -2.91669        5.57610
H         -2.24042       -1.39566        6.06529
H         -0.64032       -1.75783        6.68448
H         -1.93786        0.92717        6.06536
H         -1.15358        0.43765        7.55564
H          1.23153       -1.17473        7.15324
H          2.87034       -0.83612        6.63108
P          0.04897        0.03660        1.63270
O          1.47802       -0.10138        0.85802
O         -0.85956        0.94028        0.60090
C          1.48033       -0.73586       -0.38707
C         -0.39292        1.76061       -0.42127
C          2.06306       -2.01163       -0.44723
C          0.95661       -0.08012       -1.48009
C          0.50499        1.32667       -1.38258
C         -0.98165        3.03766       -0.46630
C          2.12643       -2.65922       -1.65258
H          2.47212       -2.44583        0.45967
C          0.88898       -0.81228       -2.71287
C          0.99837        2.30859       -2.31280
C         -0.60270        3.93886       -1.42186
H         -1.74402        3.28820        0.26091
C          1.52930       -2.09002       -2.80322
H          2.60567       -3.63153       -1.73076
C          0.17822       -0.33891       -3.84334
C          0.42773        3.61956       -2.33546
C          2.07828        2.04222       -3.19143
H         -1.06335        4.92256       -1.46023
C          1.51710       -2.78647       -4.03635
C          0.15055       -1.06044       -5.01417
H         -0.36318        0.59911       -3.77750
C          0.92066        4.58530       -3.24594
C          2.54963        3.00714       -4.05083
H          2.55931        1.07132       -3.16644
C          0.84921       -2.28068       -5.12490
H          2.03936       -3.73827       -4.09770
H         -0.41314       -0.68482       -5.86377
C          1.96166        4.28790       -4.09109
H          0.46792        5.57390       -3.24778
H          3.39210        2.78122       -4.69887
H          0.84181       -2.82538       -6.06503
H          2.34106        5.03728       -4.77991
P          1.46444        2.44953        3.32175
O          3.09427        2.41138        3.52562
O          1.32378        2.91382        1.75794
C          3.74989        1.52878        2.65882
C          2.27237        3.74001        1.14298
C          4.18377        0.30232        3.18482
C          3.95356        1.91374        1.34877
C          3.55292        3.27143        0.91192
C          1.82467        5.00121        0.71706
C          4.81255       -0.59302        2.35971
H          4.01921        0.09450        4.23729
C          4.53508        0.95175        0.46133
C          4.48347        4.16850        0.28963
C          2.68418        5.82920        0.04497
H          0.79502        5.28655        0.90406
C          4.98084       -0.30534        0.98373
H          5.16628       -1.54458        2.74810
C          4.63478        1.16902       -0.93435
C          4.02791        5.44477       -0.17464
C          5.86017        3.86078        0.14852
H          2.34585        6.79878       -0.31089
C          5.56041       -1.25524        0.10723
C          5.18122        0.21617       -1.76211
H          4.26124        2.09540       -1.35726
C          4.93808        6.31743       -0.82009
C          6.72171        4.73821       -0.46646
H          6.24109        2.92436        0.54125
C          5.66372       -1.00111       -1.23853
H          5.90455       -2.20000        0.52109
H          5.23628        0.40167       -2.83151
C          6.25762        5.97008       -0.97316
H          4.57041        7.27543       -1.17934
H          7.77371        4.48209       -0.55676
H          6.09942       -1.74103       -1.90407
H          6.94960        6.64801       -1.46476
N         -3.76145        2.14931        2.44802
C         -4.23140        2.87432        1.33741
C         -4.02015        0.77441        2.33632
C         -4.84166        1.86654        0.43900
O         -4.13617        4.07195        1.18805
C         -4.73159        0.61049        1.04389
O         -3.69773       -0.07240        3.14129
C         -5.43548        2.00961       -0.79448
C         -5.22624       -0.51425        0.42238
C         -5.92863        0.86983       -1.43510
F         -5.55631        3.18759       -1.40162
C         -5.82618       -0.37840       -0.83222
F         -5.15665       -1.72857        0.96713
F         -6.50282        0.97443       -2.62922
F         -6.31038       -1.44706       -1.45668
N         -1.02495       -4.99489       -3.11900
C         -1.86534       -4.48117       -4.12636
C          0.01780       -5.77862       -3.64932
C         -1.30919       -4.98820       -5.40268
O         -2.83457       -3.77801       -3.95042
C         -0.18547       -5.76773       -5.11661
O          0.89293       -6.31916       -3.01122
C         -1.70083       -4.76441       -6.70311
C          0.56571       -6.32408       -6.12688
C         -0.94826       -5.33295       -7.73431
F         -2.75767       -4.01879       -7.01960
C          0.17290       -6.10379       -7.44960
F          1.64980       -7.06148       -5.89479
F         -1.29917       -5.13523       -9.00187
F          0.87395       -6.63131       -8.44919
149
l_tfpi_dimer_rh_cod_55.log
C          1.60125       -1.64705        3.44487
C          1.81220       -0.42631        4.08525
C          2.80022        0.42935        3.60807
C          3.54366        0.09187        2.48383
C          3.30749       -1.11874        1.83033
C          2.35138       -2.00020        2.32437
C          4.02700       -1.44261        0.55849
O          3.51112       -0.56419       -0.50903
H          1.21507       -0.14721        4.94559
H          2.97325        1.37569        4.11215
H          4.29825        0.77478        2.10080
H          2.17978       -2.94659        1.82336
H          3.88582       -2.49498        0.28918
H          5.09822       -1.22994        0.62026
C         -3.39882        3.02035       -2.01229
C         -4.36123        2.48849       -2.87076
C         -3.97857        1.51761       -3.78802
C         -2.65499        1.08479       -3.84741
C         -1.69992        1.63200       -2.99375
C         -2.07510        2.60773       -2.07103
C         -0.27291        1.15914       -3.02543
O          0.23553        1.01536       -1.66915
H         -5.38981        2.83066       -2.81763
H         -4.71995        1.09014       -4.45661
H         -2.36626        0.31095       -4.55469
H         -1.34652        3.02232       -1.38139
H          0.38678        1.89835       -3.49100
H         -0.17466        0.21263       -3.57164
Rh         0.89231       -2.22568       -1.75914
C          1.81598       -4.27360       -2.02171
C          1.44704       -3.84482       -3.28159
C         -1.16333       -2.87367       -2.48013
C         -0.90553       -3.55565       -1.30729
C          1.03650       -5.19153       -1.12447
H          2.85319       -4.11828       -1.72181
C          0.23637       -4.31222       -4.05511
H          2.20096       -3.33358       -3.87663
C         -0.97857       -3.38578       -3.87892
H         -1.76097       -1.96485       -2.40799
C         -0.49039       -5.00388       -1.19570
H         -1.25757       -3.11014       -0.37979
H          1.37265       -5.01311       -0.09672
H          1.29889       -6.23596       -1.35439
H          0.50158       -4.33264       -5.11723
H         -0.00895       -5.33900       -3.77435
H         -0.86778       -2.51749       -4.53867
H         -1.89699       -3.90022       -4.20222
H         -0.91715       -5.57779       -2.02176
H         -0.92502       -5.40752       -0.27548
P          2.89496       -1.18727       -1.85532
O          2.83655        0.10647       -2.83344
O          4.24225       -1.98758       -2.39278
C          3.99223        0.89365       -2.95227
C          4.60996       -2.02855       -3.73435
C          3.96943        2.14751       -2.32311
C          5.05544        0.42338       -3.69105
C          4.96271       -0.87028       -4.40443
C          4.69136       -3.30277       -4.32614
C          5.07507        2.95194       -2.40664
H          3.07473        2.45216       -1.78909
C          6.24893        1.22009       -3.70861
C          5.24265       -0.97260       -5.80766
C          5.05395       -3.41804       -5.64168
H          4.47289       -4.17689       -3.72061
C          6.24124        2.50440       -3.07436
H          5.07849        3.93264       -1.93829
C          7.45953        0.76788       -4.28983
C          5.30212       -2.26381       -6.42235
C          5.42806        0.16817       -6.62795
H          5.13240       -4.39795       -6.10518
C          7.41260        3.30040       -3.10298
C          8.58441        1.55869       -4.28454
H          7.50166       -0.22115       -4.73333
C          5.59763       -2.36474       -7.80366
C          5.69636        0.03671       -7.97028
H          5.34336        1.15794       -6.19177
C          8.56055        2.84273       -3.70176
H          7.38648        4.27832       -2.62845
H          9.50349        1.18713       -4.72907
C          5.79761       -1.23859       -8.56409
H          5.65219       -3.35402       -8.25148
H          5.82552        0.92580       -8.58118
H          9.45502        3.45897       -3.71447
H          6.01927       -1.32537       -9.62398
P          0.02514       -0.34906       -0.84134
O         -1.60372       -0.26094       -0.56124
O          0.64897        0.07945        0.58855
C         -2.18391       -0.64775        0.64199
C          0.16853        1.26110        1.17274
C         -3.14733       -1.67106        0.58175
C         -1.88732        0.02646        1.81279
C         -1.06702        1.25684        1.78196
C          1.00641        2.38609        1.11766
C         -3.76553       -2.08946        1.73053
H         -3.39510       -2.10067       -0.38382
C         -2.42616       -0.49486        3.03316
C         -1.54734        2.49868        2.31902
C          0.58335        3.55956        1.68320
H          1.97402        2.29957        0.63436
C         -3.39658       -1.54509        2.98383
H         -4.52647       -2.86461        1.69325
C         -2.00455       -0.02967        4.30408
C         -0.69597        3.65051        2.28443
C         -2.84823        2.64690        2.86189
H          1.22061        4.43973        1.66254
C         -3.95908       -2.02841        4.19122
C         -2.54349       -0.54540        5.45904
H         -1.23717        0.73557        4.36035
C         -1.14944        4.86894        2.84738
C         -3.25612        3.84390        3.40274
H         -3.53386        1.80687        2.85110
C         -3.54608       -1.53767        5.40554
H         -4.71348       -2.80995        4.13587
H         -2.19332       -0.18645        6.42309
C         -2.39791        4.96271        3.41201
H         -0.48561        5.72986        2.82209
H         -4.25514        3.92830        3.82195
H         -3.97616       -1.92084        6.32684
H         -2.73302        5.89890        3.85012
N         -3.77443        4.00197       -1.05211
C         -4.80701        3.82522       -0.11178
C         -3.15007        5.25730       -0.92593
C         -4.86223        5.09202        0.65565
O         -5.47830        2.82704        0.02269
C         -3.86242        5.94314        0.17845
O         -2.23144        5.66279       -1.60185
C         -5.66639        5.46719        1.70736
C         -3.66020        7.18189        0.74383
C         -5.47086        6.72434        2.28270
F         -6.61368        4.67516        2.20590
C         -4.47806        7.57259        1.80653
F         -2.71091        8.01733        0.32630
F         -6.22743        7.11357        3.30541
F         -4.30510        8.76119        2.37846
N          0.58879       -2.52785        3.91554
C          0.32554       -2.78457        5.27867
C         -0.28384       -3.24758        3.07387
C         -0.81149       -3.73443        5.29379
O          0.93248       -2.32489        6.21894
C         -1.15936       -4.02802        3.97472
O         -0.29884       -3.21168        1.86321
C         -1.51409       -4.27612        6.34665
C         -2.21245       -4.86712        3.68994
C         -2.58308       -5.13023        6.06618
F         -1.22975       -4.00384        7.61846
C         -2.92613       -5.42520        4.75172
F         -2.58531       -5.15885        2.44434
F         -3.28922       -5.66236        7.06005
F         -3.95393       -6.23484        4.50980
149
l_tfpi_dimer_rh_cod_56.log
C          0.78925       -4.85612        1.92371
C         -0.04406       -5.93625        2.21361
C         -1.19741       -5.71948        2.95690
C         -1.53111       -4.43396        3.37532
C         -0.69614       -3.35697        3.07902
C          0.48424       -3.57411        2.36523
C         -1.09787       -1.96231        3.45455
O         -1.69611       -1.27624        2.30265
H          0.20485       -6.92918        1.85235
H         -1.84914       -6.55551        3.19213
H         -2.44883       -4.26271        3.93196
H          1.16186       -2.75275        2.14715
H         -0.25451       -1.37269        3.82387
H         -1.88987       -1.96732        4.20636
C         -2.93822        4.40582       -0.60639
C         -2.20855        5.55070       -0.91417
C         -1.01032        5.42051       -1.61292
C         -0.55789        4.17081       -2.02027
C         -1.30662        3.02779       -1.72649
C         -2.49392        3.14794       -1.01126
C         -0.87031        1.67390       -2.19960
O          0.42733        1.34753       -1.60018
H         -2.56501        6.52826       -0.60846
H         -0.43253        6.30973       -1.84703
H          0.37182        4.07985       -2.57657
H         -3.06998        2.26379       -0.76719
H         -0.73961        1.66586       -3.28847
H         -1.60423        0.90985       -1.91964
Rh        -0.66703       -1.67977       -0.82732
C         -2.88546       -2.04265       -0.52172
C         -2.21365       -3.24463       -0.34057
C         -0.57613       -2.95154       -2.69874
C         -1.40681       -1.88833       -3.00284
C         -3.60157       -1.58289       -1.75928
H         -3.19006       -1.50859        0.37693
C         -2.20314       -4.38628       -1.33599
H         -1.96342       -3.50684        0.68783
C         -1.03323       -4.33914       -2.34029
H          0.47291       -2.86577       -2.97932
C         -2.91413       -1.98039       -3.07221
H         -0.96373       -1.03806       -3.51674
H         -3.68003       -0.49047       -1.70872
H         -4.63517       -1.96376       -1.73695
H         -2.13633       -5.32360       -0.77415
H         -3.16224       -4.40884       -1.86283
H         -0.17714       -4.87521       -1.92279
H         -1.31192       -4.87283       -3.26205
H         -3.19734       -2.99551       -3.36550
H         -3.26517       -1.31313       -3.86611
P         -0.85844       -0.54688        1.12722
O         -1.77339        0.76442        0.82578
O          0.37949        0.05803        2.03319
C         -2.27040        1.50241        1.90561
C          0.84069        1.37231        2.03119
C         -3.65040        1.40659        2.14465
C         -1.41582        2.30038        2.63278
C          0.00370        2.45673        2.23915
C          2.23633        1.51378        1.91606
C         -4.19784        2.11940        3.17779
H         -4.25434        0.77458        1.50015
C         -1.96449        2.96997        3.78024
C          0.57583        3.76726        2.07783
C          2.80192        2.75731        1.87421
H          2.84632        0.62115        1.86850
C         -3.37403        2.89799        4.02627
H         -5.26587        2.07360        3.37398
C         -1.16227        3.67930        4.70784
C          1.98744        3.91315        1.89925
C         -0.22004        4.93777        2.04947
H          3.88025        2.86627        1.79250
C         -3.92595        3.59394        5.12946
C         -1.72745        4.32927        5.78003
H         -0.08615        3.70250        4.57483
C          2.54460        5.20622        1.75054
C          0.34740        6.17935        1.88394
H         -1.29684        4.85719        2.13137
C         -3.12257        4.30689        5.98486
H         -5.00022        3.54041        5.29044
H         -1.09020        4.86184        6.48055
C          1.74304        6.32188        1.74693
H          3.62125        5.29495        1.62717
H         -0.29140        7.05777        1.84697
H         -3.55419        4.83666        6.82929
H          2.17830        7.30980        1.62503
P          0.87921       -0.20102       -1.50791
O          2.21514        0.10859       -0.61720
O          1.54320       -0.56951       -2.96725
C          3.34646       -0.69352       -0.73262
C          2.49854        0.31801       -3.48033
C          3.67070       -1.50704        0.36676
C          4.13939       -0.59555       -1.85999
C          3.76971        0.34604       -2.94003
C          2.09725        1.12646       -4.55570
C          4.82172       -2.24845        0.33850
H          2.99793       -1.53656        1.21766
C          5.29073       -1.44583       -1.94045
C          4.67800        1.33916       -3.43473
C          2.98780        2.01935       -5.09119
H          1.08883        1.02175       -4.94438
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C          6.07311       -1.56042       -3.11652
C          4.28195        2.16502       -4.53601
C          5.94283        1.57716       -2.84109
H          2.70018        2.64503       -5.93202
C          6.79916       -3.07250       -0.87743
C          7.17395       -2.38341       -3.15533
H          5.78985       -1.00073       -4.00171
C          5.18304        3.13716       -5.03556
C          6.78647        2.54195       -3.33907
H          6.24354        0.99964       -1.97343
C          7.55389       -3.13446       -2.02316
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H          7.75253       -2.46335       -4.07144
C          6.41454        3.31890       -4.45600
H          4.87213        3.74610       -5.88102
H          7.74787        2.71209       -2.86238
H          8.42965       -3.77585       -2.06887
H          7.09666        4.07053       -4.84305
N         -4.13480        4.49843        0.15980
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C         -5.31304        3.78039       -0.12934
C         -5.62763        4.98573        1.84597
O         -3.40174        5.94629        1.84260
C         -6.25713        4.10393        0.96477
O         -5.48967        3.06158       -1.08736
C         -6.26655        5.42662        2.98292
C         -7.53444        3.65206        1.20764
C         -7.56360        4.97249        3.23627
F         -5.70244        6.26375        3.85036
C         -8.19025        4.09495        2.35896
F         -8.16524        2.80491        0.39702
F         -8.20955        5.37634        4.32624
F         -9.42352        3.67514        2.62644
N          1.94317       -5.06583        1.11719
C          2.13889       -4.42704       -0.11709
C          2.91906       -6.05623        1.35987
C          3.31394       -5.08292       -0.72722
O          1.46010       -3.52850       -0.56868
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O          2.98409       -6.75191        2.34681
C          3.91915       -4.87703       -1.94581
C          4.91709       -6.78510       -0.13820
C          5.04002       -5.64371       -2.27096
F          3.47500       -3.98295       -2.82634
C          5.53859       -6.58024       -1.37291
F          5.42259       -7.69626        0.68968
F          5.64249       -5.47903       -3.44400
F          6.61785       -7.28479       -1.69969
149
l_tfpi_dimer_rh_cod_57.log
C         -0.55139       -4.96851       -1.83243
C         -0.47393       -5.98775       -0.88629
C         -0.76949       -5.70113        0.44387
C         -1.16675       -4.42385        0.81903
C         -1.25305       -3.40919       -0.13805
C         -0.92768       -3.67772       -1.46340
C         -1.72092       -2.03936        0.24291
O         -0.84499       -1.48723        1.28198
H         -0.19354       -6.99212       -1.18375
H         -0.70891       -6.49230        1.18534
H         -1.41953       -4.21215        1.85508
H         -0.96508       -2.88624       -2.20470
H         -2.71597       -2.08086        0.69665
H         -1.74827       -1.37713       -0.62381
C         -3.57874        3.73581        3.33417
C         -3.93370        4.28993        4.56245
C         -3.01126        5.07874        5.24188
C         -1.74642        5.30084        4.70626
C         -1.39103        4.72895        3.48341
C         -2.31431        3.94549        2.79248
C         -0.02581        4.94963        2.90625
O          0.97386        4.02314        3.45009
H         -4.91837        4.10477        4.97944
H         -3.28514        5.52213        6.19454
H         -1.02898        5.92134        5.23764
H         -2.05431        3.51550        1.82965
H          0.36019        5.93607        3.17338
H         -0.04864        4.86016        1.81664
Rh        -0.14607        0.81932        3.42866
C         -0.15301       -1.29465        4.25913
C         -1.46288       -0.84838        4.26281
C         -0.80736        1.74499        5.37532
C          0.43707        1.20083        5.62845
C          0.76938       -1.33006        5.44424
H          0.16786       -1.91489        3.42383
C         -2.20940       -0.39102        5.49410
H         -2.07446       -1.08837        3.39568
C         -2.14141        1.13220        5.69763
H         -0.84108        2.80604        5.13149
C          0.69145       -0.09682        6.36264
H          1.28969        1.87532        5.56552
H          1.79050       -1.43852        5.06686
H          0.56132       -2.24242        6.02554
H         -3.26125       -0.67561        5.38509
H         -1.83215       -0.92000        6.37345
H         -2.88796        1.61066        5.05607
H         -2.41450        1.39202        6.73266
H         -0.07974       -0.23059        7.12694
H          1.64303       -0.00493        6.89613
P         -0.14608       -0.04541        1.33421
O          1.37864       -0.23896        0.79112
O         -0.91203        0.65723        0.06478
C          1.58882       -0.91078       -0.41444
C         -0.32397        1.49777       -0.86843
C          2.19548       -2.17392       -0.32772
C          1.26327       -0.29661       -1.60679
C          0.74852        1.09145       -1.64286
C         -0.95974        2.74095       -1.03729
C          2.49527       -2.85230       -1.47845
H          2.43850       -2.57136        0.65272
C          1.44947       -1.06178       -2.80820
C          1.34621        2.07866       -2.49942
C         -0.47629        3.63373       -1.95427
H         -1.83906        2.95839       -0.43910
C          2.12002       -2.32546       -2.73737
H          2.99577       -3.81618       -1.43613
C          0.96394       -0.63504       -4.06928
C          0.70544        3.34534       -2.67768
C          2.59060        1.86690       -3.14359
H         -0.97145        4.58954       -2.10561
C          2.36438       -3.05017       -3.92919
C          1.17997       -1.38453       -5.20242
H          0.40174        0.29016       -4.13863
C          1.28983        4.31011       -3.53310
C          3.15090        2.83808       -3.94060
H          3.11905        0.93244       -2.98870
C          1.91094       -2.58903       -5.14065
H          2.91074       -3.98775       -3.86040
H          0.78538       -1.04302       -6.15544
C          2.48911        4.06455       -4.15602
H          0.78097        5.26219       -3.66364
H          4.11642        2.65840       -4.40550
H          2.09589       -3.15803       -6.04778
H          2.93825        4.81685       -4.79826
P          1.17983        2.53748        2.84096
O          2.73062        2.41678        3.38300
O          1.39685        2.74116        1.23219
C          3.46681        1.38126        2.79952
C          2.51316        3.41299        0.72222
C          3.69404        0.22910        3.56709
C          3.95470        1.55023        1.51884
C          3.76909        2.84580        0.82874
C          2.26972        4.61680        0.04124
C          4.39885       -0.81169        3.01997
H          3.31585        0.19544        4.58379
C          4.61322        0.43579        0.90793
C          4.87889        3.58344        0.29835
C          3.31369        5.28429       -0.54201
H          1.25183        4.98125       -0.04019
C          4.85142       -0.74662        1.67984
H          4.59680       -1.70818        3.60197
C          4.99172        0.43279       -0.45754
C          4.63646        4.79817       -0.42011
C          6.22442        3.18027        0.49081
H          3.13733        6.20494       -1.09189
C          5.51700       -1.84408        1.07981
C          5.61148       -0.65976       -1.01685
H          4.77757        1.30176       -1.07062
C          5.72841        5.51172       -0.97231
C          7.26356        3.90536       -0.04305
H          6.43735        2.29316        1.07724
C          5.89524       -1.80247       -0.23964
H          5.70500       -2.72902        1.68301
H          5.88100       -0.64427       -2.06947
C          7.01728        5.07184       -0.79697
H          5.52372        6.42456       -1.52648
H          8.28641        3.57927        0.12409
H          6.39460       -2.65397       -0.69331
H          7.84891        5.62847       -1.21961
N         -4.52817        2.95939        2.61261
C         -5.82522        3.41565        2.29405
C         -4.27759        1.67583        2.09537
C         -6.44981        2.31904        1.51915
O         -6.28786        4.49205        2.59355
C         -5.52110        1.28219        1.39177
O         -3.25159        1.04330        2.22799
C         -7.70540        2.21801        0.96362
C         -5.83869        0.13389        0.70241
C         -8.03448        1.05359        0.26488
F         -8.61745        3.18119        1.06876
C         -7.11050        0.02346        0.13521
F         -4.98201       -0.87481        0.55011
F         -9.23857        0.92242       -0.28284
F         -7.44555       -1.07291       -0.53819
N         -0.23624       -5.23801       -3.19225
C         -1.00412       -4.78470       -4.28490
C          0.88904       -5.97572       -3.61195
C         -0.30126       -5.27070       -5.49396
O         -2.02725       -4.14190       -4.21539
C          0.82154       -5.99733       -5.09152
O          1.73120       -6.45953       -2.88955
C         -0.57571       -5.07366       -6.82813
C          1.68704       -6.53143       -6.01889
C          0.29453       -5.61811       -7.77605
F         -1.62732       -4.37495       -7.25086
C          1.41278       -6.34018       -7.37573
F          2.77406       -7.22058       -5.67753
F          0.05984       -5.44351       -9.07351
F          2.22728       -6.84691       -8.29703
149
l_tfpi_dimer_rh_cod_58.log
C         -1.55174       -2.96348       -2.18901
C         -1.75127       -2.87092       -3.56457
C         -0.64921       -2.98736       -4.40569
C          0.63064       -3.14712       -3.88286
C          0.81992       -3.23487       -2.50319
C         -0.28352       -3.17796       -1.65881
C          2.22369       -3.34387       -1.96322
O          2.32171       -2.95228       -0.56433
H         -2.74193       -2.69649       -3.96936
H         -0.78835       -2.91491       -5.48030
H          1.48892       -3.18293       -4.54986
H         -0.16334       -3.24601       -0.58357
H          2.91127       -2.74668       -2.57051
H          2.57218       -4.38244       -1.97056
C         -3.73484        2.58064        1.26036
C         -4.36463        3.73682        1.70546
C         -3.74979        4.48886        2.70339
C         -2.53084        4.08934        3.23818
C         -1.90493        2.92672        2.77930
C         -2.51146        2.16759        1.78406
C         -0.58373        2.53169        3.38109
O         -0.26625        1.16201        3.01326
H         -5.31505        4.04266        1.27960
H         -4.22956        5.39307        3.06589
H         -2.06206        4.68021        4.02164
H         -2.05451        1.25193        1.42423
H         -0.63248        2.56171        4.47496
H          0.21244        3.21360        3.06063
Rh         1.16033       -1.57259        2.07621
C          2.32269       -3.44442        2.57456
C          1.08900       -3.86287        2.10711
C         -0.41413       -1.92640        3.65609
C          0.76946       -1.72899        4.34272
C          2.73359       -3.32858        4.01407
H          3.15277       -3.44550        1.86764
C         -0.05489       -4.35635        2.96301
H          1.03321       -4.11991        1.05272
C         -1.05245       -3.23952        3.30936
H         -1.06513       -1.06046        3.53900
C          1.63480       -2.80575        4.95834
H          0.95525       -0.72161        4.71338
H          3.60018       -2.66120        4.06133
H          3.08761       -4.31231        4.36103
H         -0.58931       -5.13201        2.40465
H          0.32969       -4.83331        3.86769
H         -1.71111       -3.06781        2.45008
H         -1.70744       -3.55123        4.13828
H          1.00230       -3.62443        5.31116
H          2.11970       -2.38432        5.84465
P          2.13040       -1.46393        0.02974
O          3.59692       -0.74623        0.05017
O          1.41948       -0.76868       -1.26427
C          4.38157       -0.88650       -1.10370
C          1.69422        0.47266       -1.81300
C          5.46838       -1.77057       -1.01059
C          4.06339       -0.18078       -2.24703
C          2.96004        0.80662       -2.25857
C          0.57385        1.30238       -1.98781
C          6.25354       -1.98479       -2.11213
H          5.66369       -2.26240       -0.06251
C          4.81157       -0.48816       -3.43407
C          3.14901        2.14092       -2.75841
C          0.73082        2.53845       -2.54969
H         -0.39512        0.94386       -1.65756
C          5.93241       -1.37611       -3.34932
H          7.10969       -2.65186       -2.05684
C          4.44809        0.00561       -4.71222
C          2.01860        3.00608       -2.90664
C          4.42890        2.65966       -3.07456
H         -0.12726        3.19025       -2.69113
C          6.68292       -1.66449       -4.51575
C          5.18319       -0.31406       -5.82941
H          3.56827        0.63176       -4.81211
C          2.20716        4.32721       -3.37940
C          4.58122        3.95208       -3.52013
H          5.30450        2.03460       -2.94056
C          6.32309       -1.13866       -5.73197
H          7.54032       -2.32730       -4.42857
H          4.87785        0.06840       -6.79941
C          3.46296        4.79522       -3.68207
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H          5.57628        4.32931       -3.74015
H          6.89997       -1.37172       -6.62243
H          3.59861        5.81329       -4.03600
P          1.06878        0.65752        2.29115
O          2.19372        1.34944        3.28002
O          1.28033        1.53078        0.92718
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C          1.73030        2.85556        0.92461
C          4.31841        0.24940        3.37756
C          3.92624        2.08214        1.79325
C          3.02194        3.15274        1.31592
C          0.82534        3.81847        0.44598
C          5.59194        0.07239        2.90485
H          3.91890       -0.34606        4.19234
C          5.22856        1.85388        1.24243
C          3.41399        4.53285        1.30908
C          1.21969        5.12686        0.36385
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C          6.06698        0.84463        1.81727
H          6.24266       -0.68015        3.34286
C          5.70310        2.54981        0.10481
C          2.50981        5.51808        0.79571
C          4.65334        4.97502        1.83577
H          0.53781        5.88218       -0.01816
C          7.35302        0.61602        1.26958
C          6.95087        2.29224       -0.41315
H          5.06452        3.28444       -0.37328
C          2.90716        6.87711        0.76136
C          5.00164        6.30486        1.80365
H          5.33253        4.25477        2.27891
C          7.79121        1.32737        0.17899
H          7.98107       -0.14719        1.72287
H          7.28871        2.83265       -1.29327
C          4.13187        7.26515        1.24657
H          2.21353        7.60902        0.35466
H          5.95505        6.61968        2.21875
H          8.77650        1.13903       -0.23802
H          4.42583        8.31055        1.21997
N         -4.34817        1.78087        0.25134
C         -5.62652        1.20397        0.36758
C         -3.72357        1.44601       -0.96281
C         -5.82583        0.42899       -0.88245
O         -6.36893        1.31303        1.31773
C         -4.67608        0.55580       -1.66700
O         -2.63679        1.83441       -1.32925
C         -6.86818       -0.37443       -1.28642
C         -4.55269       -0.11900       -2.86009
C         -6.75031       -1.06543       -2.49622
F         -7.97647       -0.53451       -0.56510
C         -5.60323       -0.94347       -3.27251
F         -3.46974       -0.02613       -3.62830
F         -7.73449       -1.85871       -2.90693
F         -5.51100       -1.62158       -4.41225
N         -2.64294       -2.80319       -1.28793
C         -2.60078       -1.97372       -0.14727
C         -3.88762       -3.45110       -1.41974
C         -3.90855       -2.15382        0.52356
O         -1.68370       -1.25008        0.17751
C         -4.68713       -3.01793       -0.24885
O         -4.20306       -4.20813       -2.30956
C         -4.40360       -1.60161        1.68382
C         -5.97970       -3.32009        0.11739
C         -5.71166       -1.90874        2.06659
F         -3.68794       -0.78251        2.45362
C         -6.49247       -2.75778        1.28968
F         -6.76375       -4.11676       -0.60496
F         -6.21867       -1.38894        3.17861
F         -7.73865       -3.02541        1.66539
149
l_tfpi_dimer_rh_cod_59.log
C          2.36645       -6.66300       -0.70860
C          2.85491       -7.45236        0.32964
C          3.77448       -6.90490        1.21855
C          4.17687       -5.58016        1.08478
C          3.67476       -4.79086        0.04717
C          2.77510       -5.34208       -0.86424
C          4.02837       -3.33760       -0.02808
O          3.16347       -2.60637        0.92217
H          2.51549       -8.47751        0.44088
H          4.16809       -7.51492        2.02612
H          4.88138       -5.14968        1.79222
H          2.38332       -4.74462       -1.68141
H          3.90613       -2.93433       -1.03532
H          5.04433       -3.14772        0.32551
C         -2.89163        4.47056        2.96727
C         -2.92831        4.33343        4.35219
C         -3.09659        3.06532        4.90208
C         -3.24525        1.95547        4.07964
C         -3.19982        2.10131        2.69123
C         -3.01358        3.36221        2.13295
C         -3.35003        0.91029        1.79541
O         -2.32029       -0.11502        2.02849
H         -2.84092        5.20647        4.99065
H         -3.13223        2.95193        5.98153
H         -3.39480        0.96999        4.51416
H         -2.95941        3.48136        1.05495
H         -3.33623        1.19682        0.74138
H         -4.28090        0.37499        2.00295
Rh         0.25302       -2.00018        2.18745
C          1.41841       -3.64000        3.28172
C          0.71820       -4.22130        2.24130
C         -1.56089       -2.80427        3.35708
C         -0.81139       -2.00558        4.19789
C          1.03909       -3.68463        4.74431
H          2.44661       -3.35203        3.07282
C         -0.60986       -4.91549        2.31735
H          1.26509       -4.40970        1.31655
C         -1.57678       -4.31501        3.35110
H         -2.38263       -2.32549        2.82949
C          0.21659       -2.46345        5.19290
H         -1.13825       -0.97356        4.33191
H          1.96367       -3.70484        5.33028
H          0.51152       -4.61519        4.96527
H         -1.06464       -4.86451        1.32137
H         -0.44764       -5.98535        2.52334
H         -2.59168       -4.64028        3.10019
H         -1.36486       -4.69468        4.35281
H         -0.27857       -2.67422        6.15364
H          0.89454       -1.62273        5.37967
P          1.82646       -1.78650        0.59361
O          2.30211       -0.26843        0.23381
O          1.48466       -2.39829       -0.89566
C          3.22124       -0.11314       -0.81036
C          0.76443       -1.62764       -1.80690
C          4.54917        0.16959       -0.45592
C          2.78460       -0.22577       -2.11521
C          1.36375       -0.53123       -2.39769
C         -0.53618       -2.05677       -2.11560
C          5.47852        0.35183       -1.44557
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C         -0.76118       -0.16046       -3.60259
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C          5.75206        0.12907       -5.14809
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H          4.17926       -0.43187       -6.52561
C         -1.07458        1.82066       -4.96780
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O         -0.59441        0.48631        0.15577
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C         -1.78662        2.03762       -1.18898
C          3.22357        1.99599        3.03440
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C          2.52421        2.92582        0.86419
C         -0.22251        4.15926       -0.20214
C         -1.99993        3.30170       -1.66877
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C          4.86792        3.12023        1.58397
C          4.20563        3.89484       -0.59852
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C         -1.48341        5.71162       -1.63575
C          0.19063        6.55299       -0.12296
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C          5.19416        3.71962        0.39244
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H          4.47527        4.33192       -1.55609
C         -0.77097        6.77171       -1.13098
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H         -0.96139        7.78032       -1.48795
N         -2.74361        5.76234        2.38935
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C         -3.62398        6.28911        1.42414
C         -2.01850        7.90193        1.95364
O         -0.85262        6.48562        3.54886
C         -3.14107        7.66358        1.15725
O         -4.57366        5.71347        0.94224
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C         -3.59246        8.61212        0.26836
C         -1.78693       10.06191        0.97095
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C         -2.90700        9.82569        0.18211
F         -4.64566        8.41429       -0.52258
F         -1.14858       11.22431        0.86547
F         -3.31984       10.76536       -0.66438
N          1.40997       -7.20230       -1.61451
C          0.14876       -6.62443       -1.84597
C          1.59820       -8.38482       -2.35597
C         -0.51782       -7.51015       -2.82847
O         -0.27781       -5.62086       -1.31812
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O          2.59252       -9.07379       -2.34508
C         -1.76406       -7.42705       -3.40699
C         -0.03252       -9.55958       -4.00661
C         -2.15428       -8.42968       -4.29829
F         -2.61149       -6.43193       -3.15173
C         -1.29766       -9.48306       -4.59603
F          0.75460      -10.58765       -4.31470
F         -3.35282       -8.37926       -4.87235
F         -1.69375      -10.42427       -5.44777
149
l_tfpi_dimer_rh_cod_6.log
C          1.02222       -4.84601        1.33282
C          0.33669       -6.01862        1.65061
C         -0.68240       -5.97014        2.59323
C         -1.03684       -4.75960        3.18493
C         -0.35239       -3.58943        2.85961
C          0.69995       -3.64023        1.94293
C         -0.78456       -2.27012        3.42928
O         -1.56569       -1.50851        2.44926
H          0.59295       -6.95124        1.15770
H         -1.21801       -6.87898        2.85057
H         -1.85544       -4.72084        3.89893
H          1.25951       -2.74438        1.69240
H          0.06629       -1.66580        3.75714
H         -1.46696       -2.41062        4.27039
C         -2.47996        4.52938       -0.39821
C         -2.23761        5.83770       -0.80632
C         -1.01863        6.13229       -1.41062
C         -0.07183        5.13542       -1.62531
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C         -1.53774        3.52402       -0.59837
C          0.71826        2.76462       -1.42283
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H         -1.74302        2.51513       -0.26315
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Rh        -0.82418       -1.51678       -0.78745
C         -2.99373       -2.22396       -0.33960
C         -2.12534       -3.29759       -0.29449
C         -1.18271       -2.33226       -2.84421
C         -1.85032       -1.11147       -2.74625
C         -3.92083       -1.90270       -1.48877
H         -3.25056       -1.75597        0.60776
C         -1.91385       -4.30558       -1.39102
H         -1.74929       -3.58991        0.68547
C         -1.84024       -3.69673       -2.80506
H         -0.19049       -2.30347       -3.29115
C         -3.31304       -0.90069       -2.47866
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H         -4.84013       -1.47250       -1.07746
H         -4.20558       -2.82951       -1.99428
H         -0.98188       -4.83878       -1.17907
H         -2.71620       -5.05813       -1.34457
H         -1.25848       -4.37312       -3.43965
H         -2.83617       -3.63598       -3.25396
H         -3.85879       -0.92738       -3.43579
H         -3.43559        0.11351       -2.08378
P         -0.91910       -0.59530        1.27394
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O          0.33689        0.06219        2.13231
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C          0.66863        1.40849        2.21501
C         -3.73113        0.87323        2.83575
C         -1.58105        2.01887        3.13986
C         -0.24100        2.37407        2.61854
C          2.02552        1.70953        1.98298
C         -4.21341        1.39418        4.00624
H         -4.33239        0.22583        2.20444
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C          0.18208        3.74624        2.54928
C          2.46071        3.00512        2.02555
H          2.71146        0.89677        1.78244
C         -3.38549        2.19755        4.82750
H         -5.22779        1.17638        4.33079
C         -1.21313        3.19924        5.31952
C          1.54534        4.05949        2.25149
C         -0.72388        4.82132        2.71546
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C         -3.85934        2.69262        6.06720
C         -1.69716        3.64648        6.52652
H         -0.17633        3.38218        5.06016
C          1.95336        5.41337        2.17784
C         -0.30410        6.12672        2.61556
H         -1.77041        4.61144        2.90056
C         -3.03709        3.41275        6.89832
H         -4.88590        2.47586        6.35329
H         -1.03690        4.18160        7.20340
C          1.04834        6.43083        2.35762
H          2.99641        5.62868        1.95881
H         -1.02753        6.92981        2.72357
H         -3.40795        3.78485        7.84909
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O          1.28584       -0.31675       -2.93218
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C          3.54008        0.53246       -2.98324
C          1.83312        1.35453       -4.54337
C          4.66342       -2.11231        0.23311
H          2.90866       -1.34186        1.19962
C          5.06211       -1.29707       -2.05564
C          4.45289        1.50827       -3.50494
C          2.72673        2.22568       -5.10816
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H          4.95887       -2.74306        1.06780
C          5.80460       -1.40730       -3.25719
C          4.04014        2.34401       -4.59248
C          5.74051        1.71819       -2.95141
H          2.42722        2.85642       -5.94100
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C          6.89784       -2.23815       -3.33852
H          5.49892       -0.83599       -4.12734
C          4.94528        3.29781       -5.11919
C          6.58819        2.66603       -3.47456
H          6.05634        1.13283       -2.09445
C          7.30440       -3.00706       -2.22849
H          6.86360       -3.56753       -0.20671
H          7.44734       -2.31137       -4.27289
C          6.19776        3.45283       -4.57807
H          4.62079        3.91446       -5.95383
H          7.56739        2.81510       -3.02805
H          8.17374       -3.65385       -2.30796
H          6.88318        4.19047       -4.98561
N         -3.69705        4.19353        0.26272
C         -4.21171        4.88384        1.37966
C         -4.47655        3.06586       -0.06059
C         -5.39495        4.10556        1.81734
O         -3.75506        5.89393        1.86505
C         -5.56002        3.02595        0.94741
O         -4.28000        2.30661       -0.98347
C         -6.22339        4.26746        2.90512
C         -6.55933        2.10137        1.14570
C         -7.23991        3.33196        3.11434
F         -6.08437        5.26519        3.77547
C         -7.40892        2.26316        2.24170
F         -6.73321        1.04685        0.35011
F         -8.05032        3.45210        4.16225
F         -8.37815        1.38081        2.46943
N          2.03616       -4.88030        0.33302
C          1.99263       -4.11043       -0.83732
C          3.10858       -5.80000        0.31666
C          3.10799       -4.58701       -1.67943
O          1.18307       -3.24236       -1.09476
C          3.79003       -5.58765       -0.98228
O          3.37948       -6.57746        1.20191
C          3.51035       -4.19230       -2.93566
C          4.89335       -6.20033       -1.53263
C          4.61798       -4.82303       -3.50638
F          2.88189       -3.24559       -3.62897
C          5.30659       -5.80813       -2.80812
F          5.57993       -7.14948       -0.90097
F          5.02586       -4.48316       -4.72451
F          6.37354       -6.37299       -3.36463
149
l_tfpi_dimer_rh_cod_60.log
C         -0.49532       -3.77176       -2.29420
C         -0.47878       -3.74666       -3.68776
C          0.75000       -3.76770       -4.33914
C          1.93915       -3.76165       -3.61441
C          1.91066       -3.78069       -2.22031
C          0.68551       -3.82355       -1.56252
C          3.20064       -3.70238       -1.44654
O          3.02806       -3.06089       -0.14594
H         -1.40492       -3.69234       -4.24991
H          0.77912       -3.74587       -5.42452
H          2.89258       -3.71657       -4.13564
H          0.63903       -3.83951       -0.48040
H          3.96611       -3.17890       -2.02749
H          3.57841       -4.69904       -1.19432
C         -4.87953        1.77168        1.72128
C         -5.00772        1.82912        3.10855
C         -3.85884        1.79667        3.88813
C         -2.60161        1.67790        3.29866
C         -2.48619        1.60517        1.91203
C         -3.63186        1.67372        1.11803
C         -1.17565        1.38382        1.21556
O         -0.06689        1.71161        2.09733
H         -5.98977        1.89822        3.56489
H         -3.94402        1.85186        4.96937
H         -1.71287        1.64198        3.92038
H         -3.55119        1.64017        0.03490
H         -1.10299        2.01229        0.32045
H         -1.10156        0.33060        0.89789
Rh         1.42389       -1.29960        2.00288
C          2.58312       -2.98658        2.97834
C          1.42108       -3.54204        2.47327
C         -0.29435       -1.42717        3.46246
C          0.80204       -1.03659        4.20750
C          2.82086       -2.60090        4.40953
H          3.48790       -3.07675        2.37774
C          0.21383       -3.92554        3.29680
H          1.48578       -3.99235        1.48643
C         -0.85017       -2.81612        3.33664
H         -0.96330       -0.63997        3.11335
C          1.61976       -1.93536        5.10912
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H          3.68012       -1.92483        4.43527
H          3.12427       -3.50007        4.96903
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H         -1.55912       -2.99364        4.16067
H          0.96351       -2.68975        5.55133
H          1.99946       -1.32937        5.93786
P          2.66898       -1.51280        0.12322
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C          2.38765        0.04842       -2.06800
C          6.14762       -1.68873       -0.39498
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C          3.68028        0.44483       -2.35705
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C          7.10873       -1.97054       -1.32921
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C          3.84863        1.71319       -3.00821
C          1.41035        1.87933       -3.26899
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H          7.99267       -2.54015       -1.05475
C          5.59736       -0.51177       -4.42363
C          2.70008        2.42353       -3.48021
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C          6.52468       -0.89769       -5.36278
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C          2.86760        3.67814       -4.11408
C          5.24782        3.54919       -3.76884
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C          7.69274       -1.59026       -4.98187
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C          4.11579        4.23397       -4.25708
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H          4.23330        5.20296       -4.73386
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O          1.84265        1.52432        0.36463
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C          4.28309        0.79880        3.55568
C          4.20595        2.32415        1.63775
C          3.41173        3.27699        0.83007
C          1.39739        3.71325       -0.49764
C          5.62193        0.57737        3.36220
H          3.73631        0.34378        4.37491
C          5.58446        2.04084        1.38201
C          3.78034        4.65378        0.68818
C          1.77673        5.01488       -0.69617
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C          6.29459        1.16125        2.26142
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C          2.96506        5.51665       -0.11424
C          4.90343        5.21580        1.34567
H          1.15741        5.68173       -1.29032
C          7.65569        0.86991        1.99836
C          7.57801        2.22724        0.00777
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C          5.23304        6.53949        1.17398
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C          8.28767        1.39251        0.89625
H          8.18590        0.20908        2.67996
H          8.07467        2.61743       -0.87648
C          4.45851        7.37378        0.34086
H          2.71991        7.50940       -0.90484
H          6.09616        6.94888        1.69149
H          9.32906        1.15455        0.69858
H          4.73747        8.41537        0.20927
N         -6.04897        1.80663        0.90893
C         -7.04761        2.79720        1.01182
C         -6.35751        0.84649       -0.07010
C         -8.08146        2.42010        0.01897
O         -7.02452        3.74783        1.75915
C         -7.66775        1.25220       -0.62796
O         -5.67449       -0.10974       -0.36912
C         -9.27621        3.02185       -0.30536
C         -8.44534        0.67092       -1.60425
C        -10.07076        2.43759       -1.29539
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C         -9.66075        1.27464       -1.93647
F         -8.08723       -0.44055       -2.24403
F        -11.23181        2.99251       -1.62960
F        -10.43669        0.73817       -2.87361
N         -1.72755       -3.68178       -1.58706
C         -1.95135       -2.77030       -0.53684
C         -2.87959       -4.44118       -1.87915
C         -3.35043       -2.98636       -0.11109
O         -1.14884       -1.96712       -0.10768
C         -3.91678       -3.96753       -0.93130
O         -2.96232       -5.30038       -2.72685
C         -4.08963       -2.37385        0.87462
C         -5.23423       -4.33617       -0.77989
C         -5.42902       -2.73786        1.02810
F         -3.58412       -1.44492        1.68261
C         -5.99546       -3.70610        0.20963
F         -5.81650       -5.26030       -1.54094
F         -6.17582       -2.14540        1.95537
F         -7.27613       -4.02842        0.36885
149
l_tfpi_dimer_rh_cod_61.log
C          0.91652       -3.98431        2.80743
C          1.18308       -3.72477        4.15217
C          0.23712       -3.03558        4.90222
C         -0.93157       -2.56422        4.31065
C         -1.18295       -2.81719        2.96349
C         -0.27141       -3.56258        2.21899
C         -2.40489       -2.23983        2.30030
O         -2.13618       -1.89769        0.90872
H          2.12061       -4.03665        4.59939
H          0.43625       -2.82658        5.94917
H         -1.63630       -1.97375        4.89088
H         -0.46024       -3.77905        1.17435
H         -2.76457       -1.36050        2.84301
H         -3.21734       -2.97161        2.23762
C         -3.07764        4.12564       -1.48052
C         -2.53664        5.39195       -1.27495
C         -1.15524        5.55617       -1.35084
C         -0.32631        4.48099       -1.64997
C         -0.87788        3.21695       -1.87637
C         -2.25519        3.04162       -1.78379
C         -0.01863        2.04985       -2.25821
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H         -3.18053        6.23592       -1.05290
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H          0.57962        2.27949       -3.14806
H         -0.63608        1.16550       -2.45662
Rh         0.09385       -1.45400       -1.37466
C         -1.90590       -2.07239       -2.25261
C         -1.25210       -3.22310       -1.83481
C          1.28339       -2.48543       -2.99493
C          0.56555       -1.49327       -3.63739
C         -1.97328       -1.53451       -3.65301
H         -2.68010       -1.67497       -1.59724
C         -0.57410       -4.22191       -2.74775
H         -1.51418       -3.58978       -0.84396
C          0.92718       -3.94496       -2.95332
H          2.30555       -2.25008       -2.69924
C         -0.68097       -1.71700       -4.46237
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H         -2.82141       -2.00486       -4.17582
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H          1.27781       -4.42883       -3.87807
H         -0.64389       -2.70962       -4.91894
H         -0.68138       -0.99345       -5.28402
P         -1.12748       -0.74923        0.39448
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O         -0.57801       -0.20869        1.84760
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C         -0.36280        1.13046        2.17239
C         -4.40636        0.60433        0.35042
C         -2.78535        1.66926        1.85696
C         -1.38553        2.06293        2.13386
C          0.92212        1.44012        2.65249
C         -5.45269        1.02460        1.12833
H         -4.56136        0.03920       -0.56395
C         -3.86880        2.02847        2.72801
C         -1.03618        3.43416        2.38384
C          1.23543        2.72818        2.98857
H          1.64630        0.64272        2.75225
C         -5.21294        1.72535        2.33497
H         -6.47753        0.80689        0.83839
C         -3.66556        2.64382        3.98803
C          0.28634        3.76291        2.81971
C         -1.95036        4.49463        2.17479
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C         -6.28803        2.11580        3.17040
C         -4.73099        2.99379        4.78393
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C          0.62245        5.11506        3.07307
C         -1.58969        5.79973        2.41370
H         -2.94091        4.28076        1.79281
C         -6.05561        2.74816        4.36681
H         -7.30223        1.89148        2.84821
H         -4.54925        3.46045        5.74809
C         -0.29750        6.11676        2.88012
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H         -2.30653        6.59497        2.22729
H         -6.88642        3.04282        5.00157
H         -0.02888        7.15195        3.07114
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O          2.40871        0.51053        0.24608
O          2.71404        0.20261       -2.25823
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C          3.77616        1.10740       -2.20181
C          3.41638       -1.21595        1.56694
C          4.65644       -0.16158       -0.26191
C          4.75292        0.94268       -1.24145
C          3.81587        2.11069       -3.18345
C          4.48007       -2.02971        1.85561
H          2.49526       -1.27243        2.13724
C          5.72095       -1.09606       -0.05050
C          5.81128        1.90807       -1.19500
C          4.86253        2.99524       -3.19128
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C          5.63388       -2.02374        1.03637
H          4.42701       -2.72511        2.69010
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C          5.86987        2.92885       -2.19856
C          6.78530        1.92581       -0.16536
H          4.91939        3.77138       -3.94998
C          6.68264       -2.95261        1.24293
C          7.82967       -2.10782       -0.70191
H          6.90749       -0.50444       -1.76458
C          6.92364        3.87509       -2.16734
C          7.78661        2.86823       -0.15633
H          6.73369        1.19236        0.63202
C          7.75980       -2.99711        0.39161
H          6.60643       -3.64405        2.07916
H          8.67088       -2.16475       -1.38709
C          7.86932        3.84318       -1.17210
H          6.95951        4.63563       -2.94352
H          8.51857        2.86582        0.64663
H          8.55244       -3.72342        0.54869
H          8.67110        4.57590       -1.15481
N         -4.47840        3.90661       -1.34516
C         -5.25143        4.37588       -0.26236
C         -5.23676        3.09341       -2.21265
C         -6.60619        3.81560       -0.46474
O         -4.85805        5.07703        0.64272
C         -6.59677        3.04348       -1.62813
O         -4.83279        2.56282       -3.22306
C         -7.73769        3.90988        0.31370
C         -7.71939        2.35451       -2.02812
C         -8.88104        3.21269       -0.08515
F         -7.78564        4.63037        1.43183
C         -8.87226        2.44437       -1.24370
F         -7.74803        1.59809       -3.12356
F         -9.98847        3.27382        0.64864
F         -9.97132        1.78386       -1.59686
N          1.90306       -4.61779        2.00091
C          2.30380       -4.13072        0.74074
C          2.69349       -5.71189        2.41364
C          3.48462       -4.93402        0.35743
O          1.77596       -3.22925        0.12513
C          3.71132       -5.88948        1.35168
O          2.54456       -6.34809        3.43157
C          4.34789       -4.80307       -0.70694
C          4.78366       -6.74937        1.27366
C          5.44456       -5.66450       -0.78703
F          4.19672       -3.87234       -1.64769
C          5.65711       -6.63069        0.18912
F          5.03458       -7.67194        2.19921
F          6.30685       -5.55176       -1.79274
F          6.71483       -7.43097        0.09618
149
l_tfpi_dimer_rh_cod_63.log
C          0.02777       -4.75605       -2.01910
C          0.37937       -4.94748       -3.35330
C          0.03170       -3.97379       -4.28356
C         -0.62345       -2.81486       -3.88029
C         -0.95927       -2.62720       -2.53894
C         -0.65065       -3.61361       -1.60677
C         -1.67829       -1.37172       -2.13465
O         -1.43866       -1.06220       -0.73182
H          0.92284       -5.83714       -3.65470
H          0.30199       -4.10804       -5.32684
H         -0.85743       -2.04182       -4.60847
H         -0.91456       -3.48972       -0.56226
H         -2.76278       -1.50644       -2.21642
H         -1.38333       -0.53435       -2.77211
C         -3.88756        4.11899        1.53349
C         -4.72864        4.49869        2.57584
C         -4.16617        4.88184        3.78957
C         -2.78330        4.88439        3.95585
C         -1.94699        4.50303        2.90564
C         -2.50728        4.11596        1.68976
C         -0.45408        4.53360        3.04858
O          0.11952        3.25285        3.46657
H         -5.80539        4.49606        2.43452
H         -4.81219        5.18528        4.60791
H         -2.34901        5.19466        4.90294
H         -1.86708        3.83743        0.85811
H         -0.15049        5.22685        3.83609
H          0.01082        4.83899        2.10752
Rh        -1.26388        0.51450        2.07278
C         -1.82012       -1.68266        2.23520
C         -2.98388       -0.98132        1.97372
C         -2.41677        1.09704        3.91614
C         -1.41940        0.24881        4.35978
C         -1.36185       -2.17975        3.57545
H         -1.31319       -2.14776        1.39208
C         -4.04496       -0.64798        2.99711
H         -3.28378       -0.88997        0.93250
C         -3.84785        0.73952        3.63286
H         -2.22308        2.16571        3.99403
C         -1.60744       -1.20364        4.73822
H         -0.51729        0.71572        4.75249
H         -0.29193       -2.39718        3.50087
H         -1.85476       -3.14301        3.78258
H         -5.01925       -0.65921        2.49732
H         -4.07915       -1.42691        3.76352
H         -4.24868        1.50202        2.95679
H         -4.42751        0.81738        4.56626
H         -2.61032       -1.33865        5.15266
H         -0.90361       -1.43968        5.54277
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O         -0.97463        1.27570       -1.30742
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C          2.05435       -1.60962       -1.62024
C          1.61483        0.66985       -2.41594
C          1.15487        2.04981       -2.14126
C         -0.66228        3.60269       -1.61058
C          2.68076       -1.93271       -2.79335
H          1.96690       -2.31948       -0.80466
C          2.16120        0.30039       -3.69204
C          2.00836        3.17956       -2.37695
C          0.10763        4.67985       -1.95841
H         -1.70101        3.71947       -1.31808
C          2.72337       -1.00612       -3.86253
H          3.12142       -2.91722       -2.92765
C          2.13278        1.16540       -4.81443
C          1.46720        4.50258       -2.30921
C          3.39592        3.03837       -2.62841
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C          2.66447        0.77674       -6.02185
H          1.67104        2.14270       -4.72388
C          2.30764        5.61390       -2.56083
C          4.19291        4.13993       -2.83572
H          3.83705        2.04718       -2.63905
C          3.25934       -0.49299       -6.17302
H          3.71150       -2.35938       -5.22077
H          2.61993        1.45419       -6.87016
C          3.64449        5.43954       -2.82260
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H          5.25762        4.00710       -3.00724
H          3.68311       -0.78143       -7.13081
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O          1.62670        1.42317        3.34576
O          1.13364        2.61970        1.14412
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C          2.42038        3.16559        1.22320
C          2.26836       -0.86874        3.06480
C          3.33310        0.90982        1.75554
C          3.50560        2.35970        1.51371
C          2.54164        4.52897        0.90660
C          3.03220       -1.82298        2.44476
H          1.55861       -1.11882        3.84661
C          4.07358       -0.08654        1.04205
C          4.79079        2.98995        1.61655
C          3.77769        5.11820        0.91663
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C          3.93116       -1.46282        1.41214
H          2.93947       -2.86929        2.72240
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C          4.92402        4.37687        1.28754
C          5.94081        2.30104        2.07758
H          3.88718        6.16741        0.65548
C          4.67823       -2.44849        0.72103
C          5.60866       -0.75445       -0.71859
H          4.99709        1.26009       -0.38184
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C          7.15960        2.93266        2.15735
H          5.85475        1.26405        2.38348
C          5.50687       -2.10367       -0.31834
H          4.56744       -3.48739        1.02255
H          6.23769       -0.49028       -1.56437
C          7.29742        4.28501        1.78106
H          6.28150        6.04329        1.09600
H          8.02439        2.38514        2.52184
H          6.06986       -2.86783       -0.84694
H          8.26914        4.76693        1.84110
N         -4.43464        3.75585        0.26850
C         -5.11962        4.65361       -0.57309
C         -4.28001        2.48943       -0.31621
C         -5.42256        3.88298       -1.80385
O         -5.37541        5.80667       -0.31264
C         -4.91086        2.59044       -1.65254
O         -3.74956        1.53075        0.20290
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C         -5.03327        1.65960       -2.65855
C         -6.20048        3.31299       -3.98510
F         -6.57914        5.47077       -3.14164
C         -5.68673        2.03007       -3.83627
F         -4.55130        0.42196       -2.55484
F         -6.82136        3.64015       -5.11423
F         -5.82315        1.15263       -4.82621
N          0.38509       -5.73576       -1.04923
C          1.07976       -5.44533        0.13850
C          0.09664       -7.11016       -1.17097
C          1.25638       -6.74557        0.82473
O          1.45574       -4.34893        0.49383
C          0.67506       -7.74411        0.03834
O         -0.50985       -7.62714       -2.08099
C          1.87936       -7.05316        2.01300
C          0.70810       -9.06243        0.43334
C          1.92192       -8.38957        2.41761
F          2.44117       -6.13040        2.79241
C          1.34266       -9.38291        1.63679
F          0.16721      -10.04335       -0.28544
F          2.52133       -8.72091        3.55760
F          1.39537      -10.64720        2.04529
149
l_tfpi_dimer_rh_cod_64.log
C          1.37787       -4.67866        1.72462
C          1.17351       -5.82247        2.49775
C          0.23977       -5.77667        3.52623
C         -0.51351       -4.62645        3.75562
C         -0.30841       -3.49011        2.97516
C          0.66265       -3.51371        1.97616
C         -1.13601       -2.24996        3.17873
O         -1.65087       -1.80034        1.88951
H          1.72064       -6.73492        2.28810
H          0.07187       -6.66193        4.13232
H         -1.27222       -4.61808        4.53391
H          0.85303       -2.63826        1.36649
H         -0.56182       -1.44559        3.64905
H         -2.01561       -2.46010        3.79244
C         -2.43952        4.52001       -0.25431
C         -2.17420        5.86929       -0.47232
C         -0.95622        6.22494       -1.04582
C         -0.03498        5.25327       -1.42231
C         -0.31646        3.90185       -1.20866
C         -1.51673        3.53753       -0.60873
C          0.70471        2.86673       -1.59484
O          0.02093        1.58677       -1.73318
H         -2.90348        6.62602       -0.20627
H         -0.73542        7.27400       -1.21936
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H         -1.73844        2.49508       -0.42111
H          1.48320        2.77817       -0.82815
H          1.17483        3.12691       -2.54858
Rh        -0.93511       -1.38831       -1.21865
C         -3.13763       -1.90951       -0.88815
C         -2.43203       -3.09640       -0.97081
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C         -3.89818       -1.22972       -1.99039
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H         -2.09046       -3.52882       -0.03034
C         -1.29078       -3.76263       -3.16319
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C         -3.25013       -1.34229       -3.37941
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H         -3.99076       -0.17227       -1.71953
H         -4.92445       -1.62990       -2.01669
H         -2.35729       -5.04788       -1.80347
H         -3.40852       -3.94212       -2.66952
H         -0.41154       -4.33194       -2.85239
H         -1.56989       -4.13567       -4.16072
H         -3.53271       -2.28097       -3.86495
H         -3.63928       -0.53390       -4.00679
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O          0.16290       -0.08954        1.85668
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C          1.76357        1.65190        1.94802
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C         -0.15013        3.45381        2.93453
C          2.14040        2.93732        2.22499
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C         -1.52554        2.30328        5.54959
C          1.19123        3.88117        2.67969
C         -1.09390        4.43202        3.33050
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C         -4.16256        1.57819        6.13734
C         -2.03537        2.48204        6.81411
H         -0.49366        2.56776        5.34602
C          1.54334        5.23833        2.87539
C         -0.72725        5.74731        3.49321
H         -2.12603        4.14421        3.49119
C         -3.37056        2.13752        7.10970
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H         -1.39973        2.88873        7.59576
C          0.60453        6.15628        3.27872
H          2.57038        5.54056        2.68545
H         -1.47690        6.47927        3.77889
H         -3.76165        2.29749        8.11045
H          0.88041        7.19758        3.41910
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O          1.95499        0.37086       -0.76127
O          1.36137       -0.16083       -3.16048
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C          2.32791        0.74466       -3.61301
C          3.44054       -1.22939        0.19670
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C          3.58055        0.76450       -3.03048
C          1.95571        1.57568       -4.68257
C          4.63658       -1.89811        0.19015
H          2.75259       -1.30946        1.03205
C          5.12580       -1.01456       -2.05278
C          4.48854        1.79156       -3.45541
C          2.85283        2.49522       -5.15759
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C          5.50324       -1.81253       -0.92509
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C          5.94704       -1.05885       -3.20681
C          4.12070        2.64527       -4.54519
C          5.72269        2.03540       -2.80277
H          2.58893        3.14107       -5.99082
C          6.72170       -2.53363       -0.95866
C          7.11031       -1.79276       -3.21745
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C          5.02093        3.65020       -4.97656
C          6.56515        3.03293       -3.23435
H          5.99997        1.43749       -1.94129
C          7.51960       -2.51410       -2.07642
H          7.00325       -3.11653       -0.08457
H          7.72079       -1.81749       -4.11588
C          6.22359        3.83767       -4.34096
H          4.73163        4.28044       -5.81402
H          7.50147        3.20729       -2.71156
H          8.45107       -3.07270       -2.09519
H          6.90513        4.61455       -4.67546
N         -3.66374        4.10925        0.34689
C         -4.22490        4.69526        1.50090
C         -4.43291        3.01927       -0.11097
C         -5.40284        3.86162        1.83779
O         -3.80918        5.67323        2.07861
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O         -4.21716        2.36482       -1.10659
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C         -6.53619        1.92755        0.94650
C         -7.27510        2.96016        3.00586
F         -6.15616        4.83317        3.87255
C         -7.41376        1.97889        2.03127
F         -6.68173        0.95276        0.04970
F         -8.11102        2.97565        4.04048
F         -8.37899        1.07106        2.15188
N          2.28324       -4.70008        0.62765
C          1.97526       -4.16684       -0.63907
C          3.56297       -5.29565        0.64600
C          3.14497       -4.45191       -1.49286
O          0.94150       -3.60885       -0.94409
C          4.09192       -5.14032       -0.72962
O          4.09518       -5.79862        1.60909
C          3.39976       -4.11137       -2.80169
C          5.30091       -5.50674       -1.27475
C          4.62279       -4.48626       -3.36326
F          2.53330       -3.43255       -3.55200
C          5.56000       -5.18051       -2.60883
F          6.24129       -6.14542       -0.58214
F          4.90026       -4.17528       -4.62591
F          6.72013       -5.51967       -3.16181
149
l_tfpi_dimer_rh_cod_65.log
C         -1.27204       -3.10111       -2.10769
C         -1.44836       -2.66394       -3.42257
C         -0.34179       -2.59354       -4.25982
C          0.93256       -2.88198       -3.77712
C          1.09922       -3.30900       -2.46192
C         -0.01623       -3.47639       -1.64386
C          2.48489       -3.47875       -1.89901
O          2.58072       -3.01996       -0.51157
H         -2.42693       -2.36632       -3.77996
H         -0.46909       -2.25493       -5.28390
H          1.80192       -2.73932       -4.41465
H          0.10239       -3.81007       -0.61939
H          3.21878       -2.94914       -2.51402
H          2.77522       -4.53283       -1.83549
C         -4.24940        1.59050        1.88076
C         -5.03478        1.38059        3.01576
C         -4.45029        1.47642        4.27217
C         -3.09041        1.74785        4.39787
C         -2.30908        1.94722        3.26050
C         -2.89411        1.88363        1.99467
C         -0.82792        2.13381        3.37576
O         -0.23604        0.81029        3.10995
H         -6.08703        1.13819        2.91498
H         -5.05826        1.31726        5.15770
H         -2.63118        1.79861        5.38174
H         -2.29131        2.04856        1.10705
H         -0.52853        2.43275        4.38370
H         -0.45038        2.85762        2.64909
Rh         1.46914       -1.73570        2.19669
C          2.87072       -3.46074        2.57573
C          1.63532       -4.00145        2.25368
C          0.13985       -2.21058        3.96185
C          1.37039       -1.87350        4.49402
C          3.42902       -3.29086        3.95989
H          3.61569       -3.40267        1.78254
C          0.66264       -4.60345        3.24293
H          1.48004       -4.27600        1.21281
C         -0.39261       -3.59394        3.72444
H         -0.60659       -1.41897        3.90521
C          2.40225       -2.84739        5.01875
H          1.49597       -0.84341        4.82524
H          4.23337       -2.55052        3.90321
H          3.90345       -4.23516        4.27107
H          0.14422       -5.43309        2.75106
H          1.20746       -5.03451        4.08684
H         -1.18357       -3.51376        2.97108
H         -0.87745       -3.95593        4.64475
H          1.89395       -3.71244        5.45327
H          2.94270       -2.36228        5.83796
P          2.26451       -1.55735        0.08611
O          3.63893       -0.67837        0.00071
O          1.37369       -0.94377       -1.13549
C          4.35243       -0.74628       -1.20257
C          1.47505        0.29055       -1.74481
C          5.53906       -1.49687       -1.18092
C          3.87547       -0.09858       -2.32427
C          2.66685        0.75499       -2.27077
C          0.25439        0.97448       -1.89851
C          6.26658       -1.63110       -2.33340
H          5.85461       -1.95117       -0.24664
C          4.57188       -0.32997       -3.55952
C          2.67257        2.08837       -2.80619
C          0.23444        2.19254       -2.51904
H         -0.64987        0.51118       -1.51494
C          5.79326       -1.07837       -3.54784
H          7.19734       -2.19220       -2.33535
C          4.06946        0.10466       -4.81199
C          1.44036        2.80175       -2.94232
C          3.87048        2.75154       -3.16983
H         -0.70290        2.72710       -2.65037
C          6.49320       -1.28909       -4.76144
C          4.76117       -0.13845       -5.97529
H          3.11682        0.62103       -4.85560
C          1.44962        4.11869       -3.46126
C          3.84907        4.03957       -3.65245
H          4.81965        2.24248       -3.04254
C          5.99436       -0.82232       -5.95227
H          7.42707       -1.84505       -4.73047
H          4.34858        0.19451       -6.92364
C          2.62973        4.72968       -3.81097
H          0.50219        4.64310       -3.56076
H          4.78342        4.53286       -3.90627
H          6.53449       -0.99564       -6.87868
H          2.62832        5.74486       -4.19759
P          1.14466        0.48300        2.38000
O          2.20756        1.33517        3.31499
O          1.20325        1.35403        0.99373
C          3.51338        1.29358        2.80570
C          1.57757        2.69827        0.91517
C          4.41248        0.39426        3.40117
C          3.84571        2.11500        1.74771
C          2.85809        3.09679        1.24999
C          0.60784        3.58105        0.40668
C          5.67965        0.28121        2.89252
H          4.08156       -0.18998        4.25403
C          5.14078        1.94615        1.15950
C          3.16555        4.49538        1.15293
C          0.92136        4.90174        0.23125
H         -0.36936        3.18980        0.14664
C          6.06470        1.02589        1.75121
H          6.39421       -0.40338        3.34238
C          5.52480        2.60679       -0.03249
C          2.19478        5.39352        0.60410
C          4.38776        5.04011        1.62017
H          0.18777        5.59012       -0.18018
C          7.34240        0.85198        1.16523
C          6.76631        2.40110       -0.58752
H          4.82283        3.27348       -0.52164
C          2.51026        6.76818        0.47613
C          4.65642        6.38335        1.49853
H          5.11772        4.38936        2.08944
C          7.69127        1.52814        0.02141
H          8.03649        0.15732        1.63228
H          7.03434        2.91175       -1.50860
C          3.72026        7.25551        0.90538
H          1.76576        7.43220        0.04363
H          5.59824        6.77752        1.86996
H          8.67077        1.38082       -0.42479
H          3.95164        8.31238        0.80762
N         -4.84462        1.47291        0.59307
C         -6.09310        2.03495        0.24464
C         -4.29380        0.72836       -0.46602
C         -6.36209        1.57731       -1.13844
O         -6.76909        2.74738        0.95021
C         -5.28635        0.79212       -1.56037
O         -3.22447        0.15648       -0.45335
C         -7.43708        1.80434       -1.96820
C         -5.27563        0.21535       -2.81004
C         -7.43258        1.22423       -3.23998
F         -8.48126        2.54585       -1.60750
C         -6.36484        0.43707       -3.65623
F         -4.27051       -0.54487       -3.24160
F         -8.45674        1.42126       -4.06403
F         -6.38709       -0.10488       -4.86966
N         -2.36154       -3.07230       -1.19215
C         -2.25887       -2.54000        0.11335
C         -3.69062       -3.41490       -1.51095
C         -3.63047       -2.56904        0.66650
O         -1.24861       -2.13498        0.64325
C         -4.49159       -3.06856       -0.31188
O         -4.06924       -3.89845       -2.55400
C         -4.11192       -2.11594        1.87391
C         -5.85053       -3.11873       -0.09526
C         -5.48806       -2.17397        2.10535
F         -3.32055       -1.61948        2.82402
C         -6.34815       -2.66450        1.12865
F         -6.70981       -3.57127       -1.00621
F         -5.98937       -1.75854        3.26536
F         -7.65571       -2.69997        1.37031
149
l_tfpi_dimer_rh_cod_66.log
C         -1.45643       -3.30381       -2.08046
C         -1.65838       -3.39048       -3.45498
C         -0.54646       -3.51533       -4.28280
C          0.73907       -3.51519       -3.75096
C          0.93104       -3.41967       -2.37117
C         -0.17643       -3.34153       -1.53488
C          2.34146       -3.37352       -1.83857
O          2.40734       -2.95280       -0.44786
H         -2.65902       -3.34779       -3.87120
H         -0.68590       -3.58303       -5.35766
H          1.59963       -3.57234       -4.41358
H         -0.06017       -3.26845       -0.45951
H          2.95981       -2.71892       -2.46126
H          2.79349       -4.37146       -1.83724
C         -3.73287        2.48539        1.02634
C         -4.34782        3.69486        1.32268
C         -3.74712        4.53608        2.25649
C         -2.55879        4.16722        2.87490
C         -1.94841        2.94736        2.56730
C         -2.53925        2.10161        1.63452
C         -0.66632        2.58822        3.26855
O         -0.31145        1.20907        2.98066
H         -5.27607        3.97170        0.83205
H         -4.21322        5.48538        2.50298
H         -2.10054        4.82821        3.60717
H         -2.09564        1.14348        1.38436
H         -0.78818        2.65823        4.35508
H          0.14331        3.26708        2.97705
Rh         1.17944       -1.52794        2.14487
C          2.35232       -3.37818        2.70757
C          1.13640       -3.82648        2.22541
C         -0.42925       -1.87159        3.69238
C          0.73562       -1.64013        4.40066
C          2.72940       -3.21905        4.15216
H          3.19578       -3.37763        2.01645
C         -0.01857       -4.31411        3.06875
H          1.10557       -4.10683        1.17613
C         -1.03879       -3.20366        3.36637
H         -1.09130       -1.01954        3.53824
C          1.60186       -2.69036        5.05952
H          0.89822       -0.62209        4.75270
H          3.58454       -2.53735        4.20123
H          3.09027       -4.18806        4.53183
H         -0.53076       -5.10981        2.51773
H          0.35270       -4.76438        3.99242
H         -1.68354       -3.06675        2.49089
H         -1.70524       -3.50437        4.19027
H          0.97297       -3.50994        5.41654
H          2.06100       -2.24259        5.94656
P          2.15895       -1.45579        0.10164
O          3.59665       -0.68475        0.11463
O          1.43753       -0.83269       -1.22423
C          4.39444       -0.80274       -1.03259
C          1.65237        0.41596       -1.78565
C          5.51657       -1.63961       -0.92412
C          4.05840       -0.11545       -2.18195
C          2.90577        0.81338       -2.21343
C          0.49220        1.18133       -1.98766
C          6.32444       -1.82043       -2.01520
H          5.72112       -2.12164        0.02699
C          4.83685       -0.38833       -3.35803
C          3.03014        2.15150       -2.72255
C          0.59008        2.41541       -2.56731
H         -0.46091        0.77464       -1.66807
C          5.99542       -1.22472       -3.25646
H          7.20778       -2.44988       -1.94786
C          4.47198        0.09003       -4.64170
C          1.85641        2.94857       -2.90867
C          4.28662        2.73901       -3.01136
H         -0.30094        3.01577       -2.73119
C          6.77632       -1.47772       -4.41109
C          5.23846       -0.19428       -5.74726
H          3.56676        0.67618       -4.75532
C          1.98198        4.27203       -3.39540
C          4.37708        4.03345       -3.46764
H          5.19191        2.16525       -2.84705
C          6.41275       -0.96682       -5.63248
H          7.66095       -2.10165       -4.31040
H          4.93146        0.17554       -6.72163
C          3.21669        4.80810       -3.67090
H          1.07849        4.86146       -3.53206
H          5.35450        4.46549       -3.66466
H          7.01353       -1.17239       -6.51385
H          3.30314        5.82822       -4.03425
P          1.04451        0.70476        2.29817
O          2.14190        1.43414        3.29004
O          1.27010        1.54530        0.91714
C          3.46360        1.31598        2.83789
C          1.71612        2.87149        0.88368
C          4.27219        0.35275        3.46095
C          3.89914        2.13613        1.81706
C          2.99832        3.18665        1.29193
C          0.81528        3.81588        0.36274
C          5.55629        0.17196        3.01887
H          3.86090       -0.22167        4.28487
C          5.21283        1.90040        1.29751
C          3.38467        4.56771        1.25094
C          1.20570        5.12302        0.24867
H         -0.17136        3.48526        0.05624
C          6.04727        0.91577        1.91863
H          6.20351       -0.56262        3.49120
C          5.70222        2.56231        0.14591
C          2.48636        5.53276        0.69117
C          4.61210        5.03129        1.78711
H          0.52724        5.86374       -0.16655
C          7.34542        0.68135        1.40263
C          6.96042        2.29735       -0.34221
H          5.06663        3.27681       -0.36547
C          2.87908        6.89184        0.62248
C          4.95579        6.36107        1.72084
H          5.28554        4.32806        2.26505
C          7.79793        1.36055        0.29752
H          7.97110       -0.06162        1.89141
H          7.30973        2.81128       -1.23371
C          4.09310        7.29988        1.11795
H          2.19022        7.60795        0.18102
H          5.89989        6.69263        2.14410
H          8.79215        1.16697       -0.09520
H          4.38355        8.34526        1.06478
N         -4.33771        1.59081        0.09293
C         -5.56993        0.95010        0.30809
C         -3.73250        1.19292       -1.11076
C         -5.75899        0.05652       -0.86186
O         -6.28557        1.09582        1.27362
C         -4.64774        0.18547       -1.70062
O         -2.68729        1.61952       -1.54852
C         -6.75753       -0.84732       -1.14499
C         -4.51908       -0.59566       -2.82730
C         -6.63105       -1.64749       -2.28402
F         -7.82564       -1.00877       -0.36598
C         -5.52441       -1.52307       -3.11647
F         -3.46765       -0.51642       -3.63993
F         -7.56489       -2.54932       -2.56911
F         -5.42258       -2.30552       -4.18691
N         -2.56330       -3.15409       -1.19632
C         -2.61680       -2.19782       -0.16226
C         -3.70883       -3.97532       -1.21286
C         -3.88462       -2.46008        0.55714
O         -1.79276       -1.33492        0.05408
C         -4.55007       -3.50619       -0.08507
O         -3.92271       -4.87810       -1.98934
C         -4.43432       -1.84282        1.65865
C         -5.78424       -3.93295        0.35309
C         -5.68261       -2.27289        2.11401
F         -3.82358       -0.84924        2.30461
C         -6.35201       -3.30554        1.46526
F         -6.45902       -4.91241       -0.24364
F         -6.24200       -1.69472        3.17093
F         -7.54448       -3.68875        1.90888
149
l_tfpi_dimer_rh_cod_68.log
C         -0.18979       -5.38395       -1.54109
C         -0.03117       -6.57502       -0.83723
C          1.18619       -6.83272       -0.21396
C          2.21772       -5.90160       -0.27384
C          2.04683       -4.70294       -0.97167
C          0.83987       -4.45106       -1.62073
C          3.12111       -3.65978       -0.95231
O          3.03799       -2.93342        0.33453
H         -0.84871       -7.28643       -0.77802
H          1.32359       -7.76318        0.32870
H          3.16167       -6.10024        0.22796
H          0.69800       -3.53122       -2.17865
H          3.02909       -2.95883       -1.78465
H          4.12021       -4.10151       -0.95120
C         -2.87447        3.34486        2.18161
C         -3.23350        4.64769        2.51082
C         -2.39238        5.38175        3.34328
C         -1.23039        4.81544        3.85327
C         -0.88388        3.50294        3.52241
C         -1.70333        2.77020        2.67173
C          0.38902        2.92877        4.08277
O          0.49894        1.52327        3.73972
H         -4.15495        5.07773        2.13261
H         -2.65729        6.40159        3.60602
H         -0.58638        5.39406        4.51157
H         -1.43999        1.75988        2.38066
H          0.38308        2.97508        5.17738
H          1.26392        3.48620        3.72853
Rh         1.29270       -1.36655        2.58695
C          1.74190       -3.50773        3.13478
C          0.61344       -3.55775        2.33903
C         -0.68501       -1.32494        3.67717
C          0.28763       -1.49103        4.64659
C          1.79349       -3.53594        4.63519
H          2.69996       -3.67717        2.64342
C         -0.80804       -3.73466        2.81870
H          0.77107       -3.75213        1.27907
C         -1.53023       -2.39596        3.05038
H         -1.04470       -0.31232        3.50274
C          0.63694       -2.79467        5.32748
H          0.64141       -0.59035        5.14632
H          2.74465       -3.08429        4.94054
H          1.82989       -4.58347        4.97340
H         -1.35650       -4.28980        2.05038
H         -0.82325       -4.35133        3.72078
H         -1.89144       -2.01107        2.08979
H         -2.42704       -2.55041        3.67108
H         -0.25033       -3.42870        5.39506
H          0.94084       -2.57254        6.35542
P          2.34034       -1.51692        0.60125
O          3.43827       -0.37290        0.21618
O          1.32891       -1.45187       -0.69582
C          3.91604       -0.31622       -1.09686
C          0.87126       -0.19959       -1.10830
C          5.22637       -0.76843       -1.31624
C          3.10764        0.19768       -2.09205
C          1.73523        0.65072       -1.77150
C         -0.47545        0.10690       -0.85673
C          5.75189       -0.70382       -2.57955
H          5.79938       -1.14565       -0.47562
C          3.62242        0.19754       -3.42971
C          1.25456        1.95662       -2.10323
C         -0.96885        1.31944       -1.26286
H         -1.09866       -0.63320       -0.36533
C          4.96931       -0.23331       -3.66134
H          6.77123       -1.03086       -2.76798
C          2.83562        0.56365       -4.55068
C         -0.12211        2.27640       -1.87178
C          2.10442        2.97191       -2.60863
H         -2.01478        1.56736       -1.10228
C          5.48830       -0.21442       -4.97935
C          3.36550        0.55431       -5.81945
H          1.79865        0.84639       -4.40489
C         -0.60404        3.56190       -2.22078
C          1.61046        4.21870       -2.91146
H          3.16048        2.76173       -2.74506
C          4.70743        0.17870       -6.03820
H          6.51654       -0.53159       -5.13541
H          2.74140        0.83399       -6.66372
C          0.24171        4.51372       -2.73527
H         -1.65505        3.78503       -2.05245
H          2.28219        4.98654       -3.28532
H          5.11331        0.18526       -7.04579
H         -0.13501        5.50050       -2.98953
P          1.58206        0.86091        2.76546
O          2.94710        1.40895        3.50259
O          1.59728        1.69559        1.36436
C          4.14074        1.32032        2.78129
C          2.06972        3.00917        1.26515
C          5.05232        0.32596        3.16918
C          4.37822        2.21716        1.76001
C          3.40633        3.29447        1.47097
C          1.12619        3.97706        0.88201
C          6.24246        0.21384        2.49883
H          4.79784       -0.32587        3.99969
C          5.57187        2.03963        0.98878
C          3.80165        4.67335        1.42633
C          1.51624        5.28242        0.75021
H          0.10552        3.66641        0.68940
C          6.52425        1.04881        1.39065
H          6.97215       -0.53537        2.79451
C          5.82742        2.77299       -0.19698
C          2.84674        5.66803        1.04026
C          5.10084        5.10350        1.79554
H          0.80015        6.03951        0.44112
C          7.71869        0.89194        0.64511
C          6.98443        2.57650       -0.91344
H          5.09237        3.48996       -0.54765
C          3.24244        7.02648        0.97628
C          5.44831        6.43282        1.73999
H          5.82651        4.37430        2.13924
C          7.95058        1.64424       -0.48001
H          8.44005        0.14707        0.97259
H          7.15376        3.14199       -1.82563
C          4.51963        7.40397        1.31144
H          2.50731        7.76576        0.66777
H          6.44779        6.73866        2.03644
H          8.86521        1.50934       -1.05052
H          4.81273        8.44892        1.26441
N         -3.71447        2.56592        1.33662
C         -4.20538        2.99908        0.08967
C         -4.14665        1.26224        1.65116
C         -5.02192        1.87456       -0.42698
O         -3.97258        4.06646       -0.43176
C         -4.98025        0.83288        0.50411
O         -3.88190        0.65175        2.66284
C         -5.72326        1.74261       -1.60432
C         -5.64731       -0.34895        0.27303
C         -6.40402        0.54619       -1.84477
F         -5.77923        2.70583       -2.52135
C         -6.37149       -0.48476       -0.91374
F         -5.62477       -1.36967        1.12802
F         -7.08228        0.38119       -2.97654
F         -7.02195       -1.61634       -1.17001
N         -1.42579       -5.09662       -2.18577
C         -2.14496       -3.90439       -1.98919
C         -2.04756       -5.94419       -3.12412
C         -3.31053       -3.99046       -2.89830
O         -1.85488       -3.02074       -1.21305
C         -3.26399       -5.21805       -3.56468
O         -1.63716       -7.02474       -3.48020
C         -4.32686       -3.09417       -3.13577
C         -4.24539       -5.56817       -4.46501
C         -5.32919       -3.44324       -4.04352
F         -4.38733       -1.90371       -2.53847
C         -5.28797       -4.66732       -4.70147
F         -4.24109       -6.72633       -5.12033
F         -6.32782       -2.60040       -4.28998
F         -6.25073       -4.97673       -5.56448
149
l_tfpi_dimer_rh_cod_69.log
C          0.89103       -5.56982        1.47020
C          0.37425       -6.71135        0.86112
C          0.73748       -7.00406       -0.45022
C          1.59308       -6.16016       -1.14967
C          2.09119       -5.00567       -0.54107
C          1.74462       -4.71484        0.77660
C          3.01764       -4.08859       -1.28152
O          2.32858       -3.25898       -2.27892
H         -0.30138       -7.36257        1.40588
H          0.34741       -7.89937       -0.92515
H          1.87811       -6.39480       -2.17239
H          2.15245       -3.83518        1.26345
H          3.74231       -4.65297       -1.87368
H          3.55511       -3.44335       -0.58136
C         -3.77885        3.66904        0.66055
C         -3.75593        4.73507        1.55388
C         -2.98407        4.62325        2.70712
C         -2.23083        3.47950        2.94388
C         -2.25090        2.42067        2.03279
C         -3.04235        2.51018        0.89347
C         -1.40617        1.21096        2.32006
O         -1.31366        0.36315        1.14274
H         -4.32351        5.63664        1.34769
H         -2.95452        5.44670        3.41454
H         -1.60746        3.41395        3.83289
H         -3.07499        1.69736        0.17708
H         -1.86041        0.59348        3.10496
H         -0.41229        1.51469        2.66012
Rh        -0.43914       -1.91481       -0.95094
C         -1.03213       -3.84987       -2.00711
C         -1.23252       -2.80013       -2.88605
C         -2.72812       -1.61028       -0.70770
C         -2.28463       -2.50453        0.24295
C         -2.11396       -4.57948       -1.24439
H         -0.07946       -4.37123       -2.07907
C         -2.53863       -2.12139       -3.18426
H         -0.45315       -2.60927       -3.62401
C         -3.47001       -1.97476       -1.97053
H         -2.77636       -0.56354       -0.42138
C         -2.37002       -4.00138        0.16004
H         -2.04292       -2.11250        1.23009
H         -1.79937       -5.62214       -1.13024
H         -3.03357       -4.59493       -1.83519
H         -2.31957       -1.12665       -3.58600
H         -3.04856       -2.67093       -3.99124
H         -4.18937       -1.17739       -2.18437
H         -4.04972       -2.88648       -1.80923
H         -3.35451       -4.32952        0.52837
H         -1.63109       -4.41277        0.85492
P          1.61108       -1.86627       -1.88226
O          2.73576       -1.00395       -1.07024
O          1.70988       -1.23678       -3.39658
C          3.89926       -0.55026       -1.70598
C          1.49517        0.14547       -3.46770
C          5.11761       -1.08442       -1.25619
C          3.81735        0.43855       -2.66835
C          2.50666        0.99593       -3.06889
C          0.26693        0.59113       -3.97803
C          6.29221       -0.62910       -1.79381
H          5.11338       -1.82726       -0.46640
C          5.03642        0.85798       -3.29687
C          2.22561        2.39934       -3.05614
C          0.02252        1.93779       -4.05293
H         -0.45708       -0.14136       -4.31809
C          6.28458        0.33599       -2.82783
H          7.24343       -1.01705       -1.43929
C          5.05863        1.74659       -4.40135
C          0.97572        2.86836       -3.57409
C          3.11893        3.34715       -2.49827
H         -0.91603        2.30488       -4.45918
C          7.49229        0.77292       -3.42532
C          6.24756        2.13839       -4.97009
H          4.12385        2.11403       -4.81029
C          0.70308        4.25878       -3.57506
C          2.81203        4.68728       -2.48999
H          4.05104        3.00558       -2.06083
C          7.47813        1.66431       -4.46964
H          8.43084        0.37579       -3.04635
H          6.23782        2.81595       -5.81938
C          1.60306        5.15258       -3.04921
H         -0.24429        4.60073       -3.98512
H          3.50626        5.39489       -2.04472
H          8.40898        1.99057       -4.92479
H          1.37992        6.21582       -3.04453
P          0.02357       -0.17350        0.43307
O          0.97298       -0.24081        1.77279
O          0.69150        1.05924       -0.40207
C          2.34127       -0.01283        1.77298
C          0.93758        2.27523        0.24326
C          3.13917       -1.07515        2.23157
C          2.85743        1.22476        1.43518
C          1.96801        2.37538        1.15710
C          0.12090        3.35329       -0.13035
C          4.49802       -0.92336        2.29728
H          2.64961       -1.99110        2.54564
C          4.28611        1.34806        1.38036
C          2.10893        3.62374        1.85218
C          0.31694        4.57503        0.45560
H         -0.64936        3.19592       -0.87805
C          5.10719        0.27131        1.84412
H          5.12482       -1.73042        2.66798
C          4.92667        2.48865        0.83539
C          1.28816        4.73543        1.47230
C          2.99801        3.79444        2.94319
H         -0.29671        5.42553        0.16909
C          6.51640        0.40175        1.80254
C          6.29835        2.57179        0.77987
H          4.32358        3.29943        0.44066
C          1.43544        5.97271        2.14636
C          3.10310        5.00416        3.58864
H          3.59303        2.95425        3.28425
C          7.10425        1.52890        1.28258
H          7.12420       -0.42230        2.16868
H          6.76541        3.44840        0.33949
C          2.32981        6.11039        3.17918
H          0.81152        6.80755        1.83639
H          3.78467        5.10626        4.42862
H          8.18652        1.61386        1.24143
H          2.43149        7.06176        3.69364
N         -4.55628        3.76026       -0.52951
C         -4.04119        3.53746       -1.81830
C         -5.92994        4.07382       -0.55435
C         -5.18360        3.72599       -2.74191
O         -2.89142        3.26314       -2.08644
C         -6.31249        4.05698       -1.98734
O         -6.62301        4.29148        0.41279
C         -5.25143        3.63165       -4.11346
C         -7.52297        4.29811       -2.59687
C         -6.47629        3.87610       -4.73923
F         -4.19901        3.31473       -4.86613
C         -7.59928        4.20545       -3.98934
F         -8.62108        4.61703       -1.91574
F         -6.57599        3.79275       -6.06287
F         -8.75327        4.43475       -4.60891
N          0.54323       -5.27219        2.81786
C          0.61998       -6.20444        3.87508
C          0.06852       -4.02081        3.25449
C          0.14342       -5.47982        5.07691
O          1.00917       -7.34573        3.78309
C         -0.18107       -4.17254        4.70508
O         -0.10252       -3.04301        2.55970
C         -0.00669       -5.90043        6.37932
C         -0.66024       -3.27094        5.62825
C         -0.49576       -4.99199        7.32202
F          0.28881       -7.13594        6.77536
C         -0.81840       -3.69168        6.95107
F         -0.97923       -2.01713        5.31138
F         -0.65760       -5.36854        8.58668
F         -1.28211       -2.84707        7.86744
149
l_tfpi_dimer_rh_cod_7.log
C          1.37046       -6.32556       -0.69637
C          1.91709       -7.33441        0.09757
C          3.23285       -7.21027        0.52943
C          3.97166       -6.06764        0.22987
C          3.41453       -5.05835       -0.55566
C          2.12312       -5.21575       -1.05994
C          4.11498       -3.74289       -0.72853
O          3.58765       -2.79139        0.26729
H          1.32005       -8.19317        0.38592
H          3.66973       -7.99460        1.14037
H          4.97760       -5.94922        0.62453
H          1.68701       -4.45497       -1.69531
H          3.98916       -3.32554       -1.73034
H          5.17846       -3.81675       -0.49241
C         -3.53952        3.33291        2.33826
C         -3.82299        3.06822        3.67556
C         -3.95171        1.74545        4.09043
C         -3.81278        0.70590        3.17863
C         -3.52027        0.98081        1.84086
C         -3.37964        2.29983        1.42005
C         -3.32688       -0.13547        0.86195
O         -2.17635       -0.98949        1.20344
H         -3.95317        3.88523        4.37789
H         -4.17969        1.53112        5.13035
H         -3.92687       -0.32526        3.50457
H         -3.13297        2.52187        0.38641
H         -3.20111        0.23939       -0.15677
H         -4.16786       -0.83401        0.88194
Rh         0.67915       -2.36399        1.73092
C          2.29988       -2.99940        3.15403
C          1.79172       -4.14518        2.55813
C         -0.96932       -3.37587        2.89843
C         -0.47388       -2.38960        3.72995
C          1.95166       -2.49500        4.52541
H          3.21769       -2.58122        2.74172
C          0.86028       -5.12890        3.23226
H          2.32114       -4.52060        1.68547
C         -0.62487       -4.83766        2.95049
H         -1.84701       -3.12932        2.30121
C          0.46206       -2.62186        4.89503
H         -1.00200       -1.43712        3.74075
H          2.25367       -1.44475        4.58342
H          2.56755       -3.02958        5.26624
H          1.09067       -6.13097        2.85613
H          1.05658       -5.14816        4.30775
H         -0.90382       -5.28057        1.98868
H         -1.25816       -5.32718        3.70705
H          0.25374       -3.60164        5.33354
H          0.23456       -1.88047        5.66778
P          2.23905       -1.91441        0.15129
O          2.76176       -0.37229        0.19338
O          1.91147       -2.14239       -1.44060
C          3.83784       -0.04333       -0.64133
C          1.50650       -1.16684       -2.33920
C          5.07889        0.14941       -0.01515
C          3.63550        0.09299       -1.99965
C          2.28675       -0.05391       -2.59391
C          0.31871       -1.44707       -3.03779
C          6.16744        0.48252       -0.77587
H          5.14342        0.04287        1.06303
C          4.79269        0.33894       -2.81464
C          1.74714        0.93456       -3.48490
C         -0.12938       -0.57077       -3.98796
H         -0.21638       -2.36299       -2.80586
C          6.05895        0.56693       -2.18481
H          7.13270        0.65879       -0.30847
C          4.74852        0.31867       -4.23142
C          0.54822        0.65170       -4.21238
C          2.33791        2.21248       -3.64413
H         -1.03619       -0.78380       -4.54816
C          7.19655        0.83802       -2.98432
C          5.87611        0.56495       -4.97897
H          3.81490        0.09173       -4.73408
C          0.02809        1.62087       -5.10350
C          1.78976        3.14542       -4.49337
H          3.22587        2.46293       -3.07341
C          7.10858        0.84737       -4.35452
H          8.14578        1.02324       -2.48744
H          5.81746        0.53411       -6.06346
C          0.63465        2.84515       -5.24484
H         -0.87903        1.38414       -5.65466
H          2.25078        4.12522       -4.58329
H          7.98783        1.05080       -4.95912
H          0.21959        3.58869       -5.91945
P         -0.61997       -0.62193        1.12239
O         -0.55809        0.70798        2.09762
O         -0.33469        0.05555       -0.33831
C          0.68242        1.35244        2.10074
C         -0.61593        1.38384       -0.66709
C          1.52068        1.13473        3.20532
C          1.01841        2.16803        1.03951
C          0.03089        2.42630       -0.02957
C         -1.51443        1.57690       -1.73091
C          2.75982        1.71916        3.23104
H          1.16063        0.51301        4.01875
C          2.34532        2.70703        1.01395
C         -0.32089        3.76257       -0.41841
C         -1.78860        2.84620       -2.16476
H         -1.95857        0.70734       -2.20362
C          3.21122        2.49259        2.13390
H          3.41958        1.57305        4.08246
C          2.86332        3.39554       -0.11035
C         -1.20894        3.96591       -1.52277
C          0.15820        4.90613        0.26919
H         -2.46511        3.00588       -3.00020
C          4.52070        3.03287        2.11215
C          4.14885        3.88412       -0.11096
H          2.23813        3.52660       -0.98699
C         -1.50963        5.28504       -1.94324
C         -0.15527        6.17404       -0.16163
H          0.77964        4.77960        1.14900
C          4.98152        3.71962        1.01556
H          5.16137        2.87335        2.97608
H          4.52833        4.39736       -0.99050
C         -0.97872        6.37003       -1.28969
H         -2.17385        5.41876       -2.79386
H          0.23001        7.03399        0.37974
H          5.99113        4.12063        1.00478
H         -1.20949        7.37809       -1.62324
N         -3.41566        4.67996        1.89752
C         -2.57569        5.63350        2.50369
C         -4.14170        5.22147        0.81900
C         -2.81005        6.89417        1.76066
O         -1.82406        5.42779        3.42971
C         -3.74079        6.64628        0.74928
O         -4.92868        4.62132        0.12217
C         -2.23279        8.13536        1.90146
C         -4.10938        7.63860       -0.13026
C         -2.60854        9.15025        1.01885
F         -1.32490        8.40347        2.83800
C         -3.53689        8.90436        0.01354
F         -4.97988        7.43814       -1.11811
F         -2.07382       10.36311        1.13195
F         -3.87356        9.88690       -0.81782
N          0.00400       -6.37673       -1.08543
C         -0.88309       -5.29127       -0.92862
C         -0.64661       -7.51900       -1.59537
C         -2.20534       -5.79321       -1.35958
O         -0.59780       -4.18738       -0.51464
C         -2.06659       -7.12540       -1.75913
O         -0.11971       -8.57853       -1.84589
C         -3.43114       -5.16693       -1.38923
C         -3.15362       -7.84506       -2.20153
C         -4.53936       -5.89288       -1.83211
F         -3.60159       -3.90096       -1.01086
C         -4.40193       -7.21694       -2.23312
F         -3.06774       -9.11475       -2.58964
F         -5.73859       -5.32017       -1.87259
F         -5.47295       -7.88742       -2.64579
149
l_tfpi_dimer_rh_cod_71.log
C          0.77112       -5.10095       -1.00050
C          0.13589       -5.28893       -2.22947
C          0.75275       -4.82145       -3.38353
C          1.96118       -4.13413       -3.31465
C          2.58764       -3.94584       -2.08417
C          2.00438       -4.45978       -0.92679
C          3.87361       -3.16553       -2.00827
O          3.96635       -2.40104       -0.77304
H         -0.83375       -5.77063       -2.28279
H          0.26238       -4.96011       -4.34256
H          2.40830       -3.72525       -4.21726
H          2.48752       -4.33625        0.03423
H          3.97866       -2.50088       -2.87106
H          4.74324       -3.83042       -1.97056
C         -0.20109        5.34804        0.28816
C          0.01513        6.15104        1.40750
C          0.79400        5.65731        2.44710
C          1.33035        4.37259        2.37875
C          1.10672        3.57867        1.25583
C          0.34450        4.07484        0.19896
C          1.67778        2.19555        1.15793
O          0.58132        1.30295        0.78403
H         -0.42699        7.14085        1.46223
H          0.96845        6.27198        3.32511
H          1.92004        3.98362        3.20527
H          0.17276        3.47107       -0.68680
H          2.13372        1.88748        2.10290
H          2.42895        2.12958        0.36287
Rh         2.26074       -1.39951        1.79229
C          4.48007       -1.74085        2.40015
C          3.82689       -2.95505        2.32493
C          1.81747       -1.70449        3.97097
C          2.33691       -0.42198        3.82044
C          4.81375       -1.01829        3.68451
H          5.04610       -1.42441        1.52627
C          3.27369       -3.74194        3.47987
H          3.93095       -3.50873        1.39356
C          2.56760       -2.88653        4.54776
H          0.73217       -1.78705        3.98148
C          3.74985        0.01265        4.08625
H          1.62083        0.39830        3.80560
H          5.76820       -0.49966        3.54823
H          4.96610       -1.75156        4.48130
H          2.56435       -4.47150        3.07633
H          4.08712       -4.32533        3.93849
H          1.84983       -3.52129        5.07749
H          3.28183       -2.53516        5.29809
H          3.84976        0.26812        5.15336
H          3.92275        0.94275        3.53280
P          3.01247       -1.17307       -0.33575
O          3.98507        0.14520       -0.38522
O          2.14352       -1.01867       -1.73088
C          4.71772        0.37442       -1.55674
C          1.71396        0.20179       -2.24679
C          6.09385        0.09954       -1.51408
C          4.07255        0.88104       -2.66341
C          2.62310        1.17498       -2.62402
C          0.33198        0.33200       -2.47290
C          6.85147        0.32284       -2.63352
H          6.52991       -0.27576       -0.59342
C          4.84123        1.04151       -3.86474
C          2.10057        2.44716       -3.02949
C         -0.16611        1.50218       -2.97929
H         -0.31444       -0.50656       -2.24514
C          6.24918        0.77792       -3.83178
H          7.92092        0.13003       -2.62087
C          4.25850        1.40237       -5.10534
C          0.69143        2.60130       -3.22380
C          2.93086        3.58179       -3.20588
H         -1.23153        1.60861       -3.16708
C          7.01730        0.94913       -5.00960
C          5.03068        1.54286       -6.23466
H          3.18705        1.55673       -5.16908
C          0.17968        3.85524       -3.63735
C          2.39855        4.79480       -3.57637
H          3.99773        3.49338       -3.02571
C          6.42428        1.33246       -6.18732
H          8.08656        0.75788       -4.96291
H          4.55958        1.81271       -7.17580
C          1.01419        4.93260       -3.81162
H         -0.89160        3.94844       -3.80098
H          3.05051        5.65672       -3.68743
H          7.02104        1.45690       -7.08639
H          0.61218        5.89419       -4.11949
P          0.42479       -0.18728        1.35930
O         -0.66617       -0.62296        0.21668
O         -0.52228       -0.07358        2.69291
C         -1.69933       -1.51811        0.46061
C         -1.69503        0.68292        2.59727
C         -1.71219       -2.68223       -0.32712
C         -2.71041       -1.20452        1.35005
C         -2.78523        0.14813        1.94627
C         -1.68827        1.95242        3.19593
C         -2.70392       -3.60869       -0.14808
H         -0.92212       -2.82452       -1.05807
C         -3.67789       -2.22301        1.63492
C         -3.94265        0.98205        1.79634
C         -2.81225        2.73140        3.11531
H         -0.79275        2.29106        3.70823
C         -3.67656       -3.43084        0.86623
H         -2.72771       -4.51314       -0.75154
C         -4.61342       -2.09946        2.69122
C         -3.95099        2.27954        2.40471
C         -5.06332        0.60253        1.01617
H         -2.83181        3.71711        3.57275
C         -4.62502       -4.44054        1.15672
C         -5.50753       -3.10918        2.96251
H         -4.60693       -1.20401        3.30490
C         -5.08853        3.11010        2.25572
C         -6.14571        1.43994        0.87965
H         -5.06137       -0.35522        0.50729
C         -5.52442       -4.28554        2.18432
H         -4.61759       -5.34878        0.55841
H         -6.20470       -3.00161        3.78883
C         -6.16872        2.69911        1.51407
H         -5.08135        4.08802        2.73085
H         -6.98936        1.13024        0.26903
H         -6.24100       -5.07096        2.40801
H         -7.03380        3.34621        1.40058
N         -0.99169        5.83566       -0.79073
C         -0.70305        7.01541       -1.50060
C         -2.11519        5.16436       -1.30708
C         -1.74913        7.11207       -2.54643
O          0.22593        7.76053       -1.28560
C         -2.59260        6.00341       -2.43333
O         -2.57255        4.12340       -0.89086
C         -1.93705        8.04608       -3.53958
C         -3.63603        5.81803       -3.31218
C         -2.99598        7.86646       -4.43288
F         -1.14975        9.10990       -3.68529
C         -3.83609        6.76472       -4.32015
F         -4.45450        4.76952       -3.24688
F         -3.20598        8.75156       -5.40306
F         -4.83385        6.61405       -5.18691
N          0.11141       -5.48748        0.20129
C         -0.68963       -6.64578        0.33505
C         -0.00449       -4.64966        1.32800
C         -1.39263       -6.49900        1.63029
O         -0.76322       -7.54997       -0.46459
C         -0.97581       -5.30643        2.22506
O          0.56797       -3.59402        1.50225
C         -2.37054       -7.27325        2.21365
C         -1.53661       -4.86559        3.40236
C         -2.94602       -6.83241        3.40830
F         -2.81017       -8.40715        1.67342
C         -2.53591       -5.64084        3.99447
F         -1.18309       -3.72231        3.98710
F         -3.91283       -7.54115        3.98287
F         -3.11552       -5.23311        5.11900
149
l_tfpi_dimer_rh_cod_72.log
C         -0.92074       -3.38548       -1.74488
C         -0.80898       -3.03206       -3.09009
C          0.40255       -3.22705       -3.74431
C          1.50976       -3.70306       -3.05021
C          1.39724       -4.03047       -1.69941
C          0.16347       -3.92350       -1.05925
C          2.61634       -4.33582       -0.88858
O          3.18576       -3.14079       -0.23065
H         -1.65193       -2.59782       -3.61598
H          0.48969       -2.96346       -4.79425
H          2.47270       -3.78982       -3.54764
H          0.06828       -4.19134       -0.01199
H          3.43370       -4.69883       -1.51619
H          2.41221       -5.06962       -0.10463
C         -4.02390        1.89489        1.55372
C         -4.86813        1.88714        2.66746
C         -4.32582        2.07734        3.93157
C         -2.95217        2.23808        4.09545
C         -2.11475        2.23927        2.98206
C         -2.65432        2.08834        1.70371
C         -0.62723        2.30294        3.13874
O         -0.14178        0.92853        2.91706
H         -5.93289        1.72530        2.54859
H         -4.98100        2.07449        4.79753
H         -2.52861        2.35446        5.08961
H         -2.00195        2.09705        0.83756
H         -0.33462        2.60093        4.14897
H         -0.16943        2.97731        2.40963
Rh         1.51608       -1.74919        2.31389
C          2.92695       -3.33821        3.00873
C          1.72913       -3.95371        2.65982
C          0.07112       -2.03929        4.03495
C          1.24922       -1.60381        4.60894
C          3.36818       -3.01789        4.40880
H          3.73474       -3.35358        2.27765
C          0.70656       -4.47911        3.64523
H          1.66352       -4.37594        1.66107
C         -0.40669       -3.46069        3.94529
H         -0.68370       -1.28477        3.81339
C          2.25284       -2.48036        5.32474
H          1.33246       -0.53833        4.81785
H          4.17367       -2.28018        4.34352
H          3.81678       -3.92027        4.85424
H          0.24653       -5.37692        3.21938
H          1.20767       -4.79451        4.56455
H         -1.15902       -3.50398        3.15119
H         -0.92601       -3.72477        4.87993
H          1.72537       -3.30187        5.81722
H          2.71545       -1.88765        6.12052
P          2.50046       -1.77156        0.27469
O          3.77136       -0.75834        0.18984
O          1.60624       -1.36263       -1.02877
C          4.54895       -0.79903       -0.97534
C          1.59229       -0.16937       -1.72067
C          5.82559       -1.36785       -0.84806
C          4.05538       -0.28181       -2.15586
C          2.74565        0.40652       -2.22143
C          0.30736        0.35009       -1.96874
C          6.63818       -1.44611       -1.94686
H          6.14338       -1.72410        0.12675
C          4.85450       -0.47054       -3.33603
C          2.61341        1.69467       -2.84694
C          0.16845        1.50379       -2.68829
H         -0.55170       -0.19018       -1.58324
C          6.16877       -1.02662       -3.21496
H          7.63906       -1.86156       -1.86377
C          4.37466       -0.17653       -4.63722
C          1.31149        2.22474       -3.11219
C          3.73611        2.49238       -3.17978
H         -0.82024        1.90437       -2.89959
C          6.96859       -1.18512       -4.37330
C          5.16757       -0.36590       -5.74482
H          3.36075        0.18684       -4.76344
C          1.18624        3.48560       -3.74264
C          3.58134        3.72881       -3.76305
H          4.73202        2.12774       -2.95228
C          6.48446       -0.85315       -5.61469
H          7.97003       -1.59286       -4.25873
H          4.77128       -0.14373       -6.73183
C          2.29737        4.22673       -4.06536
H          0.18776        3.86760       -3.94231
H          4.45885        4.32833       -3.98928
H          7.10282       -0.98529       -6.49798
H          2.19046        5.20029       -4.53543
P          1.25763        0.49649        2.27599
O          2.28694        1.41208        3.19063
O          1.40507        1.24044        0.82695
C          3.61691        1.36224        2.75791
C          1.77051        2.57666        0.65180
C          4.50124        0.54819        3.48271
C          3.99498        2.10409        1.65735
C          3.02438        3.02240        1.02504
C          0.82463        3.39644        0.01132
C          5.80260        0.43737        3.06789
H          4.13283        0.03256        4.36383
C          5.32761        1.92515        1.16470
C          3.32103        4.41293        0.82754
C          1.13294        4.70244       -0.25727
H         -0.12891        2.96682       -0.27483
C          6.23961        1.09560        1.89273
H          6.50625       -0.17873        3.62192
C          5.76585        2.49032       -0.05794
C          2.37546        5.24530        0.14724
C          4.50659        5.01584        1.31773
H          0.41772        5.34098       -0.76907
C          7.56017        0.92545        1.40855
C          7.04707        2.28522       -0.51343
H          5.07330        3.08084       -0.64823
C          2.68248        6.60909       -0.07995
C          4.76773        6.34762        1.09548
H          5.21399        4.42033        1.88447
C          7.96048        1.51140        0.23261
H          8.24582        0.30421        1.97986
H          7.35678        2.71943       -1.46024
C          3.85969        7.15064        0.37475
H          1.95785        7.22110       -0.61154
H          5.68109        6.78732        1.48649
H          8.97238        1.36592       -0.13505
H          4.08523        8.19869        0.19921
N         -4.56709        1.65651        0.25960
C         -3.97405        0.81363       -0.70049
C         -5.81400        2.15350       -0.18596
C         -4.93055        0.74519       -1.82453
O         -2.90257        0.25466       -0.59628
C         -6.03804        1.53710       -1.51405
O         -6.52066        2.93137        0.41203
C         -4.87483        0.03022       -2.99932
C         -7.10605        1.62467       -2.37854
C         -5.95630        0.11023       -3.87999
F         -3.83354       -0.73334       -3.32669
C         -7.05939        0.89898       -3.57236
F         -8.18365        2.35984       -2.11814
F         -5.93858       -0.57234       -5.02008
F         -8.07767        0.95621       -4.42460
N         -2.12414       -3.11642       -1.03708
C         -2.15634       -2.51555        0.23922
C         -3.42138       -3.30724       -1.55696
C         -3.58940       -2.34466        0.56532
O         -1.19515       -2.18744        0.89972
C         -4.34424       -2.76679       -0.53076
O         -3.69181       -3.82402       -2.61689
C         -4.18947       -1.76660        1.66097
C         -5.70924       -2.58869       -0.55788
C         -5.57647       -1.60118        1.64919
F         -3.50055       -1.34945        2.72264
C         -6.32637       -1.99627        0.54642
F         -6.46055       -2.93643       -1.60105
F         -6.19403       -1.05648        2.69333
F         -7.64230       -1.80281        0.55006
149
l_tfpi_dimer_rh_cod_74.log
C         -0.53126       -4.97820       -1.00980
C         -0.38210       -6.33439       -0.73206
C          0.88728       -6.89707       -0.82625
C          1.99111       -6.10810       -1.14661
C          1.83137       -4.74970       -1.42544
C          0.55140       -4.19723       -1.38707
C          3.01729       -3.85823       -1.66543
O          3.33114       -3.11205       -0.43590
H         -1.23899       -6.93182       -0.43553
H          1.02041       -7.95468       -0.61888
H          2.98412       -6.54965       -1.17399
H          0.39190       -3.15223       -1.62208
H          2.84884       -3.15271       -2.48313
H          3.91983       -4.43933       -1.86577
C         -4.26009        2.03404        1.99358
C         -5.02195        1.58420        3.07039
C         -4.38087        1.24456        4.25656
C         -2.99548        1.33351        4.35823
C         -2.23893        1.78255        3.27482
C         -2.87790        2.14475        2.08934
C         -0.74563        1.82458        3.35481
O         -0.25996        0.51057        2.87801
H         -6.09980        1.49670        2.97744
H         -4.96768        0.89805        5.10199
H         -2.49642        1.05562        5.28326
H         -2.30148        2.51190        1.24631
H         -0.39584        1.94558        4.38354
H         -0.33295        2.61907        2.72709
Rh         1.70207       -1.95639        2.12779
C          3.26125       -3.49414        2.66406
C          2.11713       -4.17712        2.28033
C          0.32399       -2.52430        3.83482
C          1.47123       -2.03032        4.42399
C          3.69944       -3.23220        4.07742
H          4.04961       -3.37185        1.92218
C          1.16381       -4.86394        3.23322
H          2.05562       -4.49138        1.24004
C         -0.02316       -3.97432        3.64766
H         -0.50172       -1.82807        3.68611
C          2.55909       -2.87387        5.04924
H          1.47142       -0.97991        4.71221
H          4.42735       -2.41513        4.05445
H          4.24305       -4.11501        4.45004
H          0.76724       -5.75499        2.73528
H          1.71293       -5.21624        4.11087
H         -0.80011       -4.03139        2.88025
H         -0.47469       -4.35556        4.57702
H          2.11335       -3.77800        5.47316
H          2.98530       -2.31406        5.88800
P          2.64183       -1.75080        0.08445
O          3.82777       -0.63466        0.02979
O          1.74068       -1.38241       -1.23716
C          4.60666       -0.60027       -1.13442
C          1.62511       -0.14541       -1.85199
C          5.90790       -1.11593       -1.03017
C          4.08341       -0.06774       -2.29488
C          2.73184        0.53753       -2.32244
C          0.30613        0.29900       -2.05526
C          6.71754       -1.11590       -2.13442
H          6.24555       -1.49502       -0.07069
C          4.88834       -0.16277       -3.48126
C          2.50855        1.84691       -2.87012
C          0.08353        1.48695       -2.69495
H         -0.51303       -0.31628       -1.69527
C          6.22685       -0.66326       -3.38289
H          7.73556       -1.49110       -2.07109
C          4.39577        0.17266       -4.76747
C          1.17065        2.30719       -3.08122
C          3.57323        2.72947       -3.17881
H         -0.93159        1.83474       -2.86962
C          7.03167       -0.73343       -4.54654
C          5.19650        0.07237       -5.88089
H          3.36754        0.49895       -4.87760
C          0.95347        3.59550       -3.62600
C          3.32916        3.98591       -3.68256
H          4.59445        2.41452       -2.99350
C          6.53274       -0.36469       -5.77150
H          8.05014       -1.10173       -4.45020
H          4.79168        0.32582       -6.85679
C          2.00986        4.42209       -3.92267
H         -0.07068        3.92565       -3.78314
H          4.16272        4.65055       -3.89220
H          7.15612       -0.42754       -6.65889
H          1.83323        5.41431       -4.32823
P          1.17260        0.22777        2.22605
O          2.11563        1.18766        3.18444
O          1.25940        1.04005        0.80706
C          3.43782        1.29644        2.73596
C          1.45352        2.41967        0.71428
C          4.40768        0.52167        3.39115
C          3.72205        2.14246        1.68352
C          2.64837        2.98611        1.11557
C          0.40704        3.15978        0.13822
C          5.70534        0.56437        2.95290
H          4.10517       -0.09111        4.23449
C          5.05653        2.12928        1.16522
C          2.77530        4.41125        1.01445
C          0.54963        4.51082       -0.03029
H         -0.48805        2.63644       -0.17836
C          6.05579        1.34129        1.82183
H          6.47427       -0.02033        3.45136
C          5.41491        2.81341       -0.02188
C          1.72319        5.16993        0.40735
C          3.89142        5.11457        1.53287
H         -0.24451        5.09387       -0.48941
C          7.37515        1.32551        1.30661
C          6.69936        2.75680       -0.51040
H          4.65919        3.37513       -0.56061
C          1.85970        6.57413        0.28244
C          3.98640        6.48082        1.40940
H          4.67722        4.56696        2.04180
C          7.69458        2.02132        0.16617
H          8.12638        0.73296        1.82330
H          6.94859        3.27950       -1.42997
C          2.97235        7.21897        0.76441
H          1.05679        7.13225       -0.19301
H          4.84941        6.99779        1.81974
H          8.70696        1.99319       -0.22690
H          3.06627        8.29685        0.66743
N         -4.90496        2.36742        0.76855
C         -5.98662        3.26552        0.66890
C         -4.56916        1.80412       -0.47596
C         -6.36974        3.26553       -0.76312
O         -6.46835        3.89374        1.58342
C         -5.52236        2.38904       -1.44708
O         -3.68302        1.00221       -0.67942
C         -7.35729        3.95604       -1.42856
C         -5.66202        2.18139       -2.80082
C         -7.50192        3.75422       -2.80401
F         -8.18206        4.80270       -0.81707
C         -6.66470        2.87605       -3.48218
F         -4.88012        1.34976       -3.48701
F         -8.44959        4.40211       -3.47484
F         -6.82500        2.69958       -4.79043
N         -1.79010       -4.33044       -0.84905
C         -1.96787       -3.24660        0.02948
C         -2.95478       -4.61480       -1.58610
C         -3.37736       -2.83344       -0.12953
O         -1.11613       -2.76724        0.74766
C         -3.96440       -3.63001       -1.11749
O         -3.06543       -5.48166       -2.42241
C         -4.08931       -1.84311        0.50763
C         -5.27017       -3.42137       -1.50010
C         -5.41075       -1.62014        0.11456
F         -3.57055       -1.10234        1.48167
C         -5.99247       -2.39646       -0.88030
F         -5.87226       -4.14800       -2.43904
F         -6.12239       -0.65181        0.68871
F         -7.25111       -2.15956       -1.23920
149
l_tfpi_dimer_rh_cod_75.log
C          1.37747       -6.17987       -1.85258
C          1.96195       -6.72489       -2.99057
C          3.18293       -6.21189       -3.42132
C          3.79581       -5.16922       -2.73667
C          3.19545       -4.62280       -1.59826
C          1.98439       -5.13750       -1.15538
C          3.89990       -3.49200       -0.89510
O          3.15455       -2.99008        0.24850
H          1.47316       -7.52841       -3.53104
H          3.65353       -6.62551       -4.30830
H          4.74453       -4.77130       -3.08989
H          1.49136       -4.73387       -0.28028
H          4.11442       -2.68291       -1.60017
H          4.85102       -3.83484       -0.47401
C         -4.38709        3.55701        1.19722
C         -5.73187        3.24790        0.98316
C         -6.18210        1.96119        1.24900
C         -5.30813        0.99794        1.74598
C         -3.97143        1.31968        1.97769
C         -3.50370        2.60178        1.68725
C         -3.02828        0.29776        2.52961
O         -2.17196       -0.19967        1.43912
H         -6.41649        4.00763        0.62214
H         -7.22608        1.71439        1.08052
H         -5.66668       -0.00425        1.96615
H         -2.45928        2.85160        1.84680
H         -3.56730       -0.57028        2.91817
H         -2.40307        0.72441        3.31829
Rh         0.53430       -2.10314        1.90498
C          2.02901       -3.12094        3.27137
C          1.41372       -4.13870        2.57064
C         -1.26334       -3.03549        2.88837
C         -0.68448       -2.22746        3.85019
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H          1.93562       -4.48847        1.68552
C         -1.09027       -4.51777        2.73057
H         -2.09221       -2.61689        2.31624
C          0.19014       -2.68623        4.99503
H         -1.10376       -1.22957        3.97419
H          2.06778       -1.63366        4.77047
H          2.25097       -3.26874        5.38250
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H          0.41873       -5.19623        4.15550
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O         -0.23624        0.39310       -0.07781
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C         -0.47579        1.74033       -0.36927
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C          3.27663        1.67059        3.17004
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C          0.78418        5.16583        0.38714
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C          5.06024        2.78450        1.88547
C          4.57954        3.68745       -0.29558
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C          0.59211        6.44828       -0.07091
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C          5.49104        3.42030        0.74687
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C         -0.29949        6.70797       -1.13225
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H          6.53493        3.70071        0.63765
H         -0.42208        7.72296       -1.50008
N         -3.92049        4.87478        0.93897
C         -3.13153        5.61997        1.83956
C         -4.24978        5.61905       -0.21175
C         -2.94785        6.94426        1.20352
O         -2.71656        5.23263        2.90853
C         -3.63435        6.95174       -0.01251
O         -4.88638        5.21545       -1.15878
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C         -3.61167        8.05818       -0.83052
C         -2.18946        9.16482        0.78493
F         -1.51795        8.05648        2.74223
C         -2.88408        9.17678       -0.41910
F         -4.24076        8.10028       -2.00355
F         -1.48755       10.23614        1.14434
F         -2.83723       10.26068       -1.18881
N          0.14094       -6.69233       -1.36650
C         -0.95227       -5.88907       -0.99038
C         -0.09751       -8.05915       -1.11702
C         -1.97119       -6.82594       -0.46160
O         -1.01907       -4.68396       -1.09678
C         -1.46415       -8.12522       -0.54610
O          0.68091       -8.96261       -1.31963
C         -3.22181       -6.58799        0.06256
C         -2.20583       -9.20270       -0.11710
C         -3.97953       -7.67604        0.50243
F         -3.73606       -5.36393        0.17413
C         -3.47779       -8.96915        0.41218
F         -1.76140      -10.45539       -0.18466
F         -5.19094       -7.48056        1.01569
F         -4.22073       -9.98798        0.83439
149
l_tfpi_dimer_rh_cod_76.log
C          2.25304       -4.83972        1.52498
C          1.84646       -6.08705        2.00068
C          0.82927       -6.15250        2.94457
C          0.21247       -4.98868        3.39778
C          0.61786       -3.74528        2.91454
C          1.64787       -3.67227        1.97534
C         -0.06605       -2.49045        3.37205
O         -1.06118       -2.05585        2.38870
H          2.31758       -6.99220        1.63141
H          0.51069       -7.11962        3.32178
H         -0.58789       -5.04480        4.13117
H          1.97336       -2.71041        1.59354
H          0.64752       -1.68071        3.54887
H         -0.63826       -2.66571        4.28627
C         -3.34807        4.12607       -0.65918
C         -2.53719        5.25800       -0.70715
C         -1.24805        5.14511       -1.21695
C         -0.76192        3.91718       -1.64981
C         -1.57325        2.78275       -1.57762
C         -2.87468        2.88889       -1.09496
C         -1.07407        1.44718       -2.04214
O          0.28720        1.27145       -1.54615
H         -2.90259        6.21019       -0.34008
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H         -3.50975        2.01111       -1.04402
H         -1.04236        1.39645       -3.13823
H         -1.71137        0.63861       -1.66494
Rh        -0.41809       -1.88105       -0.82410
C         -2.39302       -3.07250       -0.54456
C         -1.32284       -3.88981       -0.24772
C         -0.24961       -3.00876       -2.79244
C         -1.17411       -1.98840       -2.95539
C         -3.18275       -3.10393       -1.83321
H         -2.88122       -2.56913        0.28815
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H         -1.03366       -3.96751        0.79960
C         -0.58037       -4.47525       -2.62465
H          0.77403       -2.78891       -3.08734
C         -2.66986       -2.10423       -2.88262
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H         -4.22406       -2.85726       -1.60231
H         -3.18311       -4.12071       -2.23478
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H          0.22162       -5.05846       -3.08888
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H         -3.05618       -2.37121       -3.87922
H         -3.07061       -1.10902       -2.65827
P         -0.81022       -0.97696        1.21089
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C         -0.03238        1.46069        2.10088
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C         -2.25221        1.12036        3.20683
C         -1.19207        1.98539        2.64599
C          1.05508        2.26812        1.71848
C         -4.45213       -0.42918        4.09851
H         -4.28132       -1.43249        2.20518
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C         -1.33568        3.41545        2.65128
C          0.96364        3.62987        1.81984
H          1.95474        1.78829        1.35442
C         -3.88821        0.53644        4.96798
H         -5.31486       -1.00006        4.43187
C         -2.16034        2.19215        5.46511
C         -0.23536        4.23992        2.25682
C         -2.55226        4.05380        3.00219
H          1.80615        4.25666        1.53919
C         -4.40616        0.73350        6.27159
C         -2.67532        2.34458        6.73100
H         -1.27445        2.74739        5.17559
C         -0.36966        5.64948        2.29232
C         -2.65815        5.42490        3.00598
H         -3.41515        3.44957        3.25615
C         -3.81864        1.62464        7.13581
H         -5.27220        0.15199        6.57850
H         -2.19216        3.02291        7.42888
C         -1.55426        6.23453        2.66670
H          0.48246        6.25800        1.99912
H         -3.60566        5.88859        3.26778
H         -4.21978        1.76438        8.13565
H         -1.65048        7.31658        2.68347
P          0.93241       -0.19877       -1.42461
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C          3.44467       -0.28683       -0.56833
C          2.50847        0.51276       -3.37285
C          3.90164       -0.93521        0.59156
C          4.22681       -0.11669       -1.69476
C          3.74995        0.73046       -2.81077
C          2.01849        1.23299       -4.47404
C          5.15460       -1.48789        0.60737
H          3.25796       -0.95661        1.46460
C          5.50339       -0.76963       -1.72090
C          4.51869        1.83357       -3.31120
C          2.78606        2.22997       -5.01600
H          1.04343        0.97911       -4.87859
C          5.97399       -1.44096       -0.54641
H          5.52743       -1.97987        1.50227
C          6.31560       -0.80402       -2.88165
C          4.03464        2.56908       -4.44104
C          5.72112        2.26716       -2.69842
H          2.43156        2.79034       -5.87713
C          7.24929       -2.05653       -0.56054
C          7.54577       -1.41876       -2.86503
H          5.95614       -0.34534       -3.79682
C          4.79969        3.64730       -4.95001
C          6.43019        3.33022       -3.20609
H          6.07957        1.76110       -1.80874
C          8.02759       -2.03665       -1.69200
H          7.59557       -2.55231        0.34337
H          8.14889       -1.43707       -3.76849
C          5.97901        4.01758       -4.35203
H          4.42385        4.18449       -5.81732
H          7.34473        3.64881       -2.71355
H          9.00437       -2.51261       -1.69392
H          6.55626        4.84893       -4.74658
N         -4.66351        4.22746       -0.12678
C         -5.22385        3.30244        0.77762
C         -5.55835        5.27793       -0.42161
C         -6.56760        3.82757        1.10621
O         -4.69260        2.29540        1.18845
C         -6.77013        5.00852        0.38845
O         -5.35642        6.18747       -1.19353
C         -7.53515        3.33715        1.95367
C         -7.94827        5.71147        0.50478
C         -8.73197        4.04648        2.07899
F         -7.37771        2.21614        2.65588
C         -8.93618        5.22015        1.36253
F         -8.18335        6.84037       -0.16034
F         -9.68850        3.60080        2.88868
F        -10.08499        5.87597        1.50003
N          3.29293       -4.76977        0.55478
C          3.17663       -4.10605       -0.67839
C          4.53312       -5.43187        0.68017
C          4.42365       -4.40598       -1.41529
O          2.23133       -3.43918       -1.04163
C          5.24215       -5.18931       -0.59769
O          4.90785       -6.04892        1.65072
C          4.83014       -4.03170       -2.67622
C          6.48313       -5.60054       -1.02945
C          6.08205       -4.45731       -3.12540
F          4.07816       -3.28771       -3.48533
C          6.90152       -5.22685       -2.30840
F          7.29971       -6.33587       -0.27803
F          6.50370       -4.12156       -4.34056
F          8.09985       -5.59640       -2.75109
149
l_tfpi_dimer_rh_cod_78.log
C          3.70271       -2.21266       -0.07544
C          5.02870       -1.76814       -0.05332
C          5.37244       -0.63072       -0.77048
C          4.40080        0.09164       -1.45984
C          3.07957       -0.34774       -1.46863
C          2.73746       -1.52468       -0.80197
C          2.00921        0.46773       -2.13686
O          1.00170        0.83205       -1.13557
H          5.77673       -2.29861        0.52340
H          6.40103       -0.28254       -0.75745
H          4.66755        1.01118       -1.97455
H          1.71311       -1.88013       -0.80925
H          1.53161       -0.07053       -2.96008
H          2.40918        1.41214       -2.51384
C         -3.03974        4.01858        0.66683
C         -4.04969        4.37772        1.55429
C         -3.78501        4.34693        2.91906
C         -2.52853        3.96873        3.38101
C         -1.51785        3.62190        2.48243
C         -1.77744        3.63978        1.11365
C         -0.15537        3.27728        3.01955
O          0.60887        2.43357        2.12246
H         -5.02414        4.67455        1.17835
H         -4.56507        4.61514        3.62536
H         -2.32991        3.93993        4.44980
H         -1.00954        3.36184        0.39872
H         -0.23077        2.81282        4.00863
H          0.45163        4.18410        3.12330
Rh        -1.23933       -0.18699        1.14677
C         -2.53057       -1.86982        0.40187
C         -3.30967       -0.73025        0.31498
C         -2.53954        0.22284        2.94706
C         -2.02057       -1.04857        3.10654
C         -2.55634       -2.91102        1.48240
H         -2.01079       -2.18694       -0.49758
C         -4.39960       -0.34043        1.28603
H         -3.33690       -0.21833       -0.64715
C         -3.89813        0.57538        2.41636
H         -2.03652        1.03828        3.46767
C         -2.76841       -2.34219        2.89295
H         -1.10349       -1.13629        3.67865
H         -1.59838       -3.44207        1.44987
H         -3.33201       -3.65631        1.24667
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H         -4.62048        0.58192        3.24806
H         -3.83057       -2.19893        3.10543
H         -2.39773       -3.07220        3.62043
P         -0.48077        0.27174       -0.95112
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C         -3.11146       -0.54889       -4.68403
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C         -4.76694       -2.20434       -5.44215
C         -4.84239        0.05163       -6.28134
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C          0.23392        2.56345       -7.71139
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C          1.01718       -1.47005        5.00348
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C          3.65546        0.48714        3.11954
C          3.72293        2.07637        1.25252
C          1.70548       -2.58127        5.41448
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C          4.83850        1.09406        3.65637
C          4.89258        2.61601        1.71832
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C          3.01765       -2.82677        4.94689
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C          4.94846       -2.14385        3.61393
C          5.47057        2.15209        2.92534
C          5.39052        0.72283        4.90771
H          5.37937        3.42270        1.17654
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C          5.57624       -3.32747        3.92312
H          5.43668       -1.43159        2.95714
C          6.65139        2.74235        3.43931
C          6.53000        1.32718        5.38479
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C          4.95855       -4.27108        4.77192
H          3.20835       -4.74783        5.91395
H          6.55676       -3.54078        3.50583
C          7.17802        2.33436        4.64018
H          7.12529        3.53574        2.86643
H          6.93144        1.03001        6.34968
H          5.47295       -5.19659        5.01585
H          8.08181        2.79644        5.02712
N         -3.30615        4.04961       -0.73362
C         -2.70834        4.96086       -1.62117
C         -4.27015        3.24388       -1.36274
C         -3.33258        4.69176       -2.93917
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O         -4.92896        2.38152       -0.82534
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C         -3.85008        4.81132       -5.26232
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C         -4.81135        3.82047       -5.10052
F         -5.95206        2.28446       -3.73698
F         -3.64901        5.33539       -6.46818
F         -5.52078        3.42484       -6.15406
N          3.32676       -3.35301        0.68913
C          2.14243       -3.43817        1.45622
C          4.12436       -4.50769        0.83911
C          2.20271       -4.74691        2.14287
O          1.27304       -2.59893        1.52890
C          3.39449       -5.38006        1.78867
O          5.17587       -4.72458        0.28047
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C          3.73715       -6.59657        2.33545
C          1.67388       -6.55648        3.59979
F          0.19147       -4.74673        3.41430
C          2.86323       -7.18614        3.25125
F          4.87421       -7.22386        2.04225
F          0.86195       -7.13386        4.48187
F          3.16870       -8.35585        3.80615
149
l_tfpi_dimer_rh_cod_8.log
C         -1.63034       -2.80444       -2.38062
C         -1.90300       -2.61435       -3.73312
C         -0.84023       -2.61100       -4.63112
C          0.46981       -2.75082       -4.18266
C          0.73249       -2.93606       -2.82445
C         -0.32862       -2.99569       -1.92784
C          2.16646       -3.02517       -2.36547
O          2.32344       -2.76769       -0.94112
H         -2.92006       -2.45836       -4.07556
H         -1.03580       -2.46124       -5.68881
H          1.29436       -2.69488       -4.88961
H         -0.15424       -3.13952       -0.86758
H          2.79277       -2.33821       -2.94346
H          2.55975       -4.03937       -2.49476
C         -3.82242        2.32284        1.67692
C         -4.46901        3.40899        2.25442
C         -3.82922        4.09544        3.28334
C         -2.57049        3.69980        3.71978
C         -1.92890        2.60737        3.12918
C         -2.55924        1.91529        2.10035
C         -0.56701        2.21014        3.63057
O         -0.22653        0.89111        3.12538
H         -5.45154        3.71149        1.90601
H         -4.32084        4.94465        3.74838
H         -2.08308        4.23807        4.52937
H         -2.08978        1.05406        1.63696
H         -0.56231        2.14142        4.72373
H          0.19023        2.94600        3.33651
Rh         1.22735       -1.70006        1.86968
C          2.45837       -3.57692        2.12678
C          1.21831       -3.98145        1.66414
C         -0.27200       -2.25994        3.46105
C          0.93312       -2.09555        4.11802
C          2.92149       -3.59735        3.55517
H          3.26002       -3.47973        1.39436
C          0.12496       -4.59589        2.50747
H          1.12671       -4.13005        0.59176
C         -0.88686       -3.55302        3.01083
H         -0.95044       -1.40716        3.45127
C          1.84774       -3.20430        4.58777
H          1.10862       -1.12487        4.58032
H          3.77294       -2.91445        3.63939
H          3.31206       -4.60110        3.78637
H         -0.41203       -5.32512        1.89206
H          0.56101       -5.15162        3.34111
H         -1.59130       -3.31711        2.20510
H         -1.49069       -3.96974        3.83236
H          1.24941       -4.07205        4.87773
H          2.35669       -2.86155        5.49429
P          2.09882       -1.35426       -0.19495
O          3.53368       -0.57670       -0.16574
O          1.30002       -0.57304       -1.38457
C          4.26693       -0.56085       -1.36111
C          1.49056        0.72877       -1.81596
C          5.39497       -1.39559       -1.40692
C          3.86583        0.24367       -2.40908
C          2.71831        1.16956       -2.27439
C          0.32488        1.51190       -1.86511
C          6.14053       -1.45112       -2.55436
H          5.65364       -1.97531       -0.52615
C          4.57371        0.10072       -3.65094
C          2.82129        2.55411       -2.64475
C          0.39670        2.80135       -2.31335
H         -0.61020        1.07301       -1.53354
C          5.73837       -0.73137       -3.70517
H          7.02868       -2.07540       -2.60457
C          4.13088        0.70622       -4.85383
C          1.64391        3.36752       -2.67213
C          4.06154        3.16814       -2.94798
H         -0.49769        3.41719       -2.35852
C          6.45027       -0.85468       -4.92377
C          4.83115        0.54594       -6.02628
H          3.21784        1.29132       -4.85287
C          1.74851        4.73501       -3.02331
C          4.13258        4.50320       -3.27095
H          4.97116        2.58001       -2.89961
C          6.01323       -0.22234       -6.06151
H          7.34188       -1.47669       -4.94219
H          4.46525        1.01172       -6.93712
C          2.96749        5.29588       -3.31891
H          0.84260        5.33622       -3.03847
H          5.09893        4.95296       -3.48238
H          6.56151       -0.32932       -6.99315
H          3.03865        6.34841       -3.57815
P          1.09024        0.49424        2.31042
O          2.23781        1.11701        3.31973
O          1.22966        1.49833        1.02985
C          3.53111        1.08169        2.78138
C          1.65216        2.82770        1.13573
C          4.38967        0.06828        3.23560
C          3.89465        2.02711        1.84383
C          2.95188        3.11678        1.50483
C          0.70935        3.80984        0.78673
C          5.64704       -0.03172        2.70081
H          4.03849       -0.60941        4.00733
C          5.17662        1.88138        1.22212
C          3.31774        4.49996        1.60989
C          1.07597        5.12858        0.80907
H         -0.29033        3.49949        0.50179
C          6.05997        0.84626        1.66942
H          6.33150       -0.80303        3.04444
C          5.58571        2.68517        0.13092
C          2.37563        5.50731        1.22308
C          4.56949        4.91989        2.12548
H          0.36511        5.90046        0.52582
C          7.32561        0.69869        1.05125
C          6.81457        2.50396       -0.45972
H          4.91202        3.44270       -0.25472
C          2.74660        6.87228        1.29616
C          4.89231        6.25455        2.19913
H          5.27889        4.17774        2.47511
C          7.70045        1.51257        0.00993
H          7.98867       -0.08552        1.40878
H          7.10192        3.12625       -1.30296
C          3.98315        7.24174        1.76558
H          2.02390        7.62247        0.98463
H          5.85625        6.55166        2.60279
H          8.67014        1.38574       -0.46314
H          4.25699        8.29144        1.82165
N         -4.46040        1.58862        0.63394
C         -3.89857        1.39836       -0.64048
C         -5.69540        0.92939        0.77415
C         -4.85044        0.52573       -1.36740
O         -2.85666        1.87574       -1.03149
C         -5.93952        0.26555       -0.53085
O         -6.37381        0.90232        1.77666
C         -4.77379       -0.02883       -2.62473
C         -6.96821       -0.54926       -0.94642
C         -5.81111       -0.86284       -3.05124
F         -3.74827        0.19074       -3.44427
C         -6.89760       -1.11800       -2.22187
F         -8.01904       -0.83243       -0.17819
F         -5.76092       -1.42496       -4.25500
F         -7.86712       -1.92240       -2.64580
N         -2.68283       -2.77691       -1.42158
C         -2.62592       -2.04627       -0.21664
C         -3.89163       -3.49071       -1.54632
C         -3.88388       -2.35993        0.49844
O         -1.73173       -1.30276        0.12680
C         -4.65166       -3.20496       -0.30565
O         -4.20803       -4.19237       -2.48002
C         -4.34708       -1.93592        1.72401
C         -5.90132       -3.61943        0.09860
C         -5.61053       -2.35786        2.14495
F         -3.64145       -1.13550        2.52256
C         -6.38044       -3.18960        1.33910
F         -6.67490       -4.40323       -0.64853
F         -6.08568       -1.96384        3.32092
F         -7.58484       -3.56785        1.75374
149
l_tfpi_dimer_rh_cod_80.log
C         -0.13892       -5.47494       -1.38406
C          0.01646       -6.62948       -0.62047
C          1.22468       -6.84752        0.03470
C          2.25002       -5.91192       -0.05105
C          2.08128       -4.74782       -0.80555
C          0.88499       -4.53748       -1.48832
C          3.14486       -3.69342       -0.80987
O          3.03793       -2.92516        0.45088
H         -0.79594       -7.34438       -0.54004
H          1.35913       -7.75033        0.62290
H          3.18627       -6.07855        0.47615
H          0.74745       -3.64583       -2.09091
H          3.05598       -3.02196       -1.66647
H          4.14837       -4.12413       -0.78131
C         -2.95676        3.31803        1.95596
C         -3.35849        4.61999        2.23773
C         -2.55263        5.40416        3.05920
C         -1.38514        4.88813        3.60891
C         -0.99667        3.57619        3.32671
C         -1.77757        2.79502        2.48313
C          0.27546        3.04958        3.93419
O          0.41173        1.63213        3.65656
H         -4.28539        5.01145        1.83243
H         -2.85158        6.42359        3.28447
H         -0.77148        5.50502        4.26137
H         -1.47946        1.78450        2.23002
H          0.24838        3.14455        5.02525
H          1.14872        3.60396        3.57139
Rh         1.23854       -1.28975        2.61477
C          1.69337       -3.40337        3.25575
C          0.58270       -3.49403        2.43836
C         -0.76207       -1.22339        3.66338
C          0.19057       -1.34485        4.65886
C          1.71336       -3.37446        4.75678
H          2.66345       -3.58126        2.79176
C         -0.84743       -3.66460        2.89411
H          0.76532       -3.73054        1.39103
C         -1.58492       -2.32410        3.05856
H         -1.12553       -0.22095        3.44385
C          0.53652       -2.61806        5.39645
H          0.52643       -0.42304        5.13144
H          2.65408       -2.90304        5.06454
H          1.75145       -4.40824        5.13488
H         -1.37508       -4.25418        2.13695
H         -0.87723       -4.24489        3.81955
H         -1.92807       -1.97840        2.07669
H         -2.49413       -2.46292        3.66463
H         -0.34648       -3.25722        5.47117
H          0.81747       -2.35369        6.42091
P          2.32529       -1.50590        0.65714
O          3.42051       -0.36665        0.25111
O          1.33608       -1.49421       -0.65847
C          3.91719       -0.34593       -1.05580
C          0.87261       -0.25955       -1.11525
C          5.23525       -0.79085       -1.24151
C          3.11945        0.13029       -2.07806
C          1.73812        0.57883       -1.79160
C         -0.48027        0.04119       -0.89174
C          5.78057       -0.75572       -2.49755
H          5.79845       -1.13693       -0.38110
C          3.65552        0.09738       -3.40686
C          1.25007        1.86978       -2.16854
C         -0.97896        1.23612       -1.34094
H         -1.10366       -0.68989       -0.38738
C          5.01087       -0.32413       -3.60447
H          6.80630       -1.07651       -2.66038
C          2.88298        0.42170       -4.55030
C         -0.13245        2.18310       -1.96536
C          2.09742        2.87754       -2.69292
H         -2.02953        1.47767       -1.20375
C          5.55142       -0.33526       -4.91388
C          3.43389        0.38369       -5.80953
H          1.84017        0.69472       -4.42969
C         -0.62132        3.45321       -2.35829
C          1.59598        4.10972       -3.04025
H          3.15709        2.67304       -2.80828
C          4.78381        0.01927       -5.99575
H          6.58576       -0.64397       -5.04450
H          2.82056        0.63186       -6.67135
C          0.22245        4.39705       -2.89052
H         -1.67653        3.67122       -2.21009
H          2.26550        4.87232       -3.42855
H          5.20631        0.00296       -6.99638
H         -0.15967        5.37225       -3.17904
P          1.51691        0.94368        2.72606
O          2.86439        1.51930        3.47455
O          1.55980        1.73572        1.30068
C          4.07300        1.40556        2.78241
C          2.03673        3.04475        1.16902
C          4.97400        0.42226        3.21994
C          4.33360        2.26915        1.73846
C          3.36868        3.33663        1.39480
C          1.10234        4.00038        0.73607
C          6.17767        0.28764        2.57849
H          4.70116       -0.20299        4.06494
C          5.54329        2.06681        0.99879
C          3.76509        4.71379        1.31784
C          1.49498        5.30159        0.57492
H          0.08629        3.68338        0.52963
C          6.48482        1.08750        1.45136
H          6.89935       -0.45305        2.91283
C          5.82594        2.76365       -0.20274
C          2.81873        5.69645        0.88308
C          5.05598        5.15505        1.70274
H          0.78560        6.04885        0.22868
C          7.69479        0.90612        0.73709
C          6.99830        2.54430       -0.88692
H          5.10040        3.47035       -0.59206
C          3.21550        7.05286        0.78956
C          5.40435        6.48258        1.61739
H          5.77407        4.43646        2.08281
C          7.95275        1.62399       -0.40470
H          8.40719        0.17033        1.10266
H          7.18899        3.08151       -1.81193
C          4.48496        7.44065        1.14200
H          2.48710        7.78266        0.44464
H          6.39703        6.79741        1.92700
H          8.87950        1.47105       -0.95056
H          4.77879        8.48413        1.07222
N         -3.76243        2.48418        1.13087
C         -4.12593        1.16569        1.47187
C         -4.28751        2.86946       -0.11861
C         -4.95172        0.67678        0.34414
O         -3.81940        0.58430        2.48901
C         -5.05472        1.69734       -0.60505
O         -4.11222        3.93635       -0.66278
C         -5.56350       -0.54009        0.14510
C         -5.76381        1.50859       -1.77012
C         -6.29560       -0.73362       -1.02842
F         -5.47903       -1.54090        1.01958
C         -6.38957        0.27656       -1.97806
F         -5.87776        2.44937       -2.70496
F         -6.89416       -1.90000       -1.25416
F         -7.07380        0.05643       -3.09678
N         -1.36472       -5.23259       -2.06497
C         -2.08388       -4.02736       -1.96940
C         -1.98612       -6.15380       -2.93226
C         -3.24360       -4.18476       -2.87656
O         -1.80035       -3.08579       -1.26200
C         -3.20081       -5.46583       -3.43309
O         -1.57564       -7.25944       -3.20029
C         -4.25296       -3.30702       -3.19849
C         -4.18178       -5.88975       -4.30129
C         -5.25470       -3.72997       -4.07487
F         -4.30680       -2.06746       -2.71045
C         -5.21882       -5.00840       -4.62050
F         -4.18324       -7.10290       -4.84807
F         -6.24943       -2.90855       -4.39780
F         -6.18239       -5.38967       -5.45339
149
l_tfpi_dimer_rh_cod_81.log
C          0.97169       -6.20166       -0.46483
C          0.60211       -6.94767        0.65212
C          1.07718       -6.56870        1.90328
C          1.88364       -5.44271        2.03734
C          2.24262       -4.69449        0.91425
C          1.79742       -5.08880       -0.34733
C          3.00411       -3.41489        1.07300
O          2.02204       -2.34186        1.34043
H         -0.05179       -7.80709        0.54239
H          0.80203       -7.14869        2.77912
H          2.23305       -5.13613        3.02013
H          2.07538       -4.52302       -1.23047
H          3.59548       -3.16937        0.18811
H          3.64804       -3.42859        1.95508
C         -4.55628        3.25010        2.20017
C         -5.83078        2.97238        1.70956
C         -6.00637        2.81673        0.33894
C         -4.91921        2.91155       -0.52504
C         -3.64470        3.18516       -0.02597
C         -3.46606        3.36963        1.34522
C         -2.45849        3.19077       -0.94004
O         -1.92107        1.81450       -0.97931
H         -6.66908        2.87483        2.39194
H         -6.99682        2.60684       -0.05367
H         -5.05787        2.77074       -1.59407
H         -2.48265        3.59320        1.74635
H         -1.68377        3.88556       -0.60830
H         -2.74049        3.41672       -1.97079
Rh        -0.74335       -0.82454        0.51448
C         -0.99221       -2.24082        2.25353
C         -1.13829       -3.00825        1.11309
C         -2.86198       -1.07930       -0.22180
C         -2.96374       -0.48770        1.02314
C         -2.08761       -1.65487        3.09727
H         -0.00603       -2.22840        2.71732
C         -2.44335       -3.49271        0.52646
H         -0.24976       -3.52441        0.75159
C         -3.01070       -2.53971       -0.54084
H         -2.89384       -0.41968       -1.08854
C         -3.32477       -1.19295        2.30883
H         -3.04095        0.59877        1.05074
H         -1.66831       -0.79775        3.63632
H         -2.38006       -2.38858        3.86516
H         -2.25906       -4.46206        0.05148
H         -3.16945       -3.66715        1.32446
H         -2.49885       -2.72602       -1.49158
H         -4.07529       -2.76109       -0.71711
H         -3.99242       -2.03187        2.09959
H         -3.88311       -0.48959        2.93492
P          1.45359       -1.26027        0.30590
O          2.47780        0.00917        0.35708
O          1.87912       -1.97317       -1.11592
C          3.80663       -0.17137       -0.03535
C          1.95397       -1.15609       -2.24580
C          4.77538       -0.16514        0.98072
C          4.10884       -0.30436       -1.37695
C          3.02524       -0.29574       -2.38579
C          0.93229       -1.28519       -3.19916
C          6.09694       -0.29691        0.64478
H          4.45576       -0.03871        2.00996
C          5.48080       -0.52091       -1.72964
C          3.01592        0.59411       -3.50596
C          0.96818       -0.50177       -4.32346
H          0.14217       -2.00988       -3.02671
C          6.48143       -0.48744       -0.70432
H          6.86409       -0.27619        1.41458
C          5.89106       -0.81527       -3.05433
C          1.98901        0.46379       -4.49573
C          3.95626        1.64500       -3.64709
H          0.19588       -0.59463       -5.08279
C          7.84093       -0.68066       -1.05277
C          7.21766       -1.01521       -3.35555
H          5.14591       -0.89406       -3.83857
C          1.99066        1.33352       -5.61402
C          3.91274        2.48950       -4.73132
H          4.71199        1.78919       -2.88162
C          8.20594       -0.93218       -2.35248
H          8.58851       -0.63933       -0.26429
H          7.50702       -1.24569       -4.37714
C          2.93486        2.32332       -5.73487
H          1.21381        1.21397       -6.36556
H          4.63633        3.29583       -4.81407
H          9.25057       -1.08438       -2.60872
H          2.92080        2.99228       -6.59078
P         -0.58058        1.26756       -0.29739
O         -0.34274        2.43785        0.83803
O          0.63344        1.56982       -1.34410
C          0.94731        2.57983        1.35357
C          0.93190        2.89262       -1.68024
C          1.16572        2.13235        2.66572
C          1.92528        3.16680        0.57457
C          1.58027        3.69744       -0.76369
C          0.58126        3.31425       -2.97242
C          2.41765        2.25206        3.21125
H          0.33546        1.70496        3.22031
C          3.25555        3.20178        1.09989
C          1.83674        5.05651       -1.13904
C          0.88999        4.58988       -3.36488
H          0.08801        2.61289       -3.63748
C          3.49030        2.76665        2.44377
H          2.60690        1.92582        4.23071
C          4.36881        3.59884        0.31769
C          1.51035        5.48988       -2.46536
C          2.36368        6.01187       -0.23398
H          0.64498        4.93051       -4.36756
C          4.80500        2.81925        2.96904
C          5.63660        3.61068        0.84965
H          4.21526        3.88397       -0.71821
C          1.78450        6.82640       -2.84676
C          2.60210        7.30626       -0.63199
H          2.57244        5.71892        0.78941
C          5.85749        3.23718        2.19230
H          4.96612        2.50000        3.99602
H          6.47764        3.90584        0.22829
C          2.32691        7.71676       -1.95315
H          1.54347        7.13607       -3.86079
H          3.00118        8.02223        0.08118
H          6.86364        3.26312        2.60120
H          2.52910        8.74070       -2.25440
N         -4.35434        3.39799        3.60121
C         -3.40522        2.66135        4.33280
C         -5.07917        4.28925        4.41681
C         -3.53371        3.12911        5.73237
O         -2.66193        1.81742        3.88151
C         -4.53732        4.10087        5.78435
O         -5.94658        5.04389        4.04089
C         -2.84711        2.75946        6.86660
C         -4.86410        4.71501        6.97233
C         -3.17351        3.37848        8.07574
F         -1.88243        1.84113        6.85694
C         -4.17061        4.34525        8.12788
F         -5.81091        5.64572        7.06654
F         -2.52477        3.04781        9.18869
F         -4.46121        4.92107        9.29069
N          0.47738       -6.56054       -1.75042
C         -0.22924       -5.67598       -2.58504
C          0.62196       -7.83685       -2.32844
C         -0.55598       -6.45550       -3.80156
O         -0.50444       -4.52468       -2.32520
C         -0.04965       -7.74946       -3.64750
O          1.19315       -8.77834       -1.82775
C         -1.23060       -6.09154       -4.94490
C         -0.20841       -8.69242       -4.63768
C         -1.39555       -7.04341       -5.95422
F         -1.73016       -4.87052       -5.12807
C         -0.89021       -8.32933       -5.80232
F          0.25878       -9.93396       -4.53012
F         -2.04317       -6.72391       -7.07099
F         -1.06231       -9.21749       -6.77684
149
l_tfpi_dimer_rh_cod_82.log
C         -1.86456       -3.64335       -1.53944
C         -1.92922       -5.02446       -1.74029
C         -0.83875       -5.68045       -2.29302
C          0.32407       -4.97666       -2.59696
C          0.38947       -3.60054       -2.38735
C         -0.72748       -2.92186       -1.88587
C          1.69178       -2.87743       -2.58152
O          2.30965       -2.63965       -1.26845
H         -2.81516       -5.57917       -1.44989
H         -0.88460       -6.75324       -2.45461
H          1.19331       -5.50164       -2.98443
H         -0.70145       -1.84756       -1.73243
H          1.57067       -1.92797       -3.10789
H          2.41218       -3.49875       -3.11811
C         -3.56079        2.49845        1.18698
C         -3.99225        3.77746        1.52219
C         -3.32207        4.46769        2.52857
C         -2.23593        3.89200        3.17510
C         -1.80397        2.61019        2.82306
C         -2.47089        1.90699        1.82585
C         -0.62152        2.03477        3.55536
O         -0.25953        0.73276        3.02100
H         -4.83322        4.22651        1.00408
H         -3.64754        5.46726        2.80085
H         -1.71250        4.44252        3.95356
H         -2.15138        0.90951        1.54610
H         -0.86783        1.86617        4.60991
H          0.23092        2.72240        3.51741
Rh         1.18935       -1.78983        1.68278
C          2.16155       -3.87612        1.69654
C          0.88251       -3.97847        1.18648
C          0.06683       -2.49841        3.52558
C          1.35874       -2.19242        3.91702
C          2.54087       -4.31166        3.09306
H          2.98268       -3.75754        0.99151
C         -0.32087       -4.47384        1.93924
H          0.76586       -3.94799        0.10588
C         -0.46396       -3.90551        3.36564
H         -0.68114       -1.71254        3.62304
C          2.47309       -3.17860        4.13098
H          1.53185       -1.21880        4.37477
H          3.56594       -4.69499        3.06945
H          1.90085       -5.14768        3.39105
H         -1.20709       -4.21583        1.35520
H         -0.28828       -5.57365        1.97860
H         -1.52634       -3.90029        3.63013
H          0.03460       -4.55664        4.09043
H          2.38128       -3.60079        5.14427
H          3.41836       -2.62866        4.11731
P          2.08848       -1.33179       -0.34627
O          3.58463       -0.67943       -0.23379
O          1.32529       -0.35387       -1.41761
C          4.35834       -0.74902       -1.40171
C          1.73984        0.87696       -1.90740
C          5.41487       -1.67324       -1.40056
C          4.04493        0.05366       -2.47772
C          3.02245        1.11942       -2.36787
C          0.71312        1.83478       -1.98182
C          6.16473       -1.83262       -2.53538
H          5.61277       -2.24116       -0.49649
C          4.74688       -0.19439       -3.70610
C          3.33633        2.46919       -2.75782
C          0.98178        3.09034       -2.44903
H         -0.27827        1.55270       -1.64947
C          5.83183       -1.12874       -3.71847
H          6.99770       -2.53049       -2.55160
C          4.37609        0.41507       -4.93062
C          2.30056        3.45523       -2.80578
C          4.65573        2.88215       -3.06961
H          0.19093        3.83359       -2.50877
C          6.53829       -1.35919       -4.92436
C          5.06821        0.15176       -6.08934
H          3.52527        1.08744       -4.95574
C          2.61119        4.78341       -3.18573
C          4.92843        4.18203       -3.42702
H          5.46923        2.16889       -3.00181
C          6.17072       -0.72765       -6.08715
H          7.36815       -2.06158       -4.91191
H          4.75778        0.62230       -7.01818
C          3.89984        5.14353       -3.49584
H          1.80644        5.51409       -3.21681
H          5.95178        4.47247       -3.64869
H          6.71400       -0.91643       -7.00870
H          4.13109        6.16571       -3.78180
P          1.08074        0.39357        2.21437
O          2.19565        1.01679        3.25843
O          1.21554        1.44300        0.96725
C          3.49878        1.07801        2.74865
C          1.56443        2.78902        1.12999
C          4.40885        0.10555        3.18992
C          3.82999        2.08768        1.86802
C          2.83348        3.13451        1.55299
C          0.59113        3.73423        0.76361
C          5.68541        0.10927        2.69407
H          4.08404       -0.62024        3.92696
C          5.14056        2.05855        1.28967
C          3.11309        4.52930        1.74019
C          0.88076        5.06895        0.85761
H         -0.37009        3.38387        0.40484
C          6.07371        1.05958        1.71972
H          6.40845       -0.62955        3.02951
C          5.54220        2.95282        0.26787
C          2.13136        5.50020        1.36055
C          4.31334        4.99144        2.33584
H          0.14331        5.81148        0.56378
C          7.37068        1.02849        1.15192
C          6.80628        2.88850       -0.26994
H          4.83644        3.68653       -0.10707
C          2.41560        6.87832        1.52294
C          4.55099        6.33632        2.49650
H          5.04882        4.27284        2.68061
C          7.73492        1.92800        0.18002
H          8.06898        0.26934        1.49582
H          7.08857        3.58033       -1.05839
C          3.60450        7.29183        2.07193
H          1.66427        7.60172        1.21580
H          5.47553        6.66570        2.96251
H          8.73078        1.89454       -0.25265
H          3.81133        8.35090        2.19720
N         -4.25072        1.77077        0.17338
C         -5.64612        1.56605        0.16051
C         -3.62107        1.15403       -0.92002
C         -5.91809        0.76650       -1.05886
O         -6.42566        1.94992        1.00247
C         -4.70332        0.51020       -1.69860
O         -2.43220        1.16327       -1.15191
C         -7.09215        0.22753       -1.53555
C         -4.64597       -0.28262       -2.82312
C         -7.04464       -0.57558       -2.67858
F         -8.26744        0.42475       -0.94232
C         -5.83417       -0.83054       -3.31432
F         -3.50349       -0.56921       -3.44446
F         -8.15980       -1.11612       -3.15793
F         -5.81413       -1.60746       -4.39140
N         -2.95728       -2.99353       -0.89385
C         -2.81848       -2.20010        0.26556
C         -4.31311       -3.26046       -1.18355
C         -4.19357       -1.99886        0.77798
O         -1.77815       -1.78133        0.72510
C         -5.08899       -2.62103       -0.09557
O         -4.72294       -3.87730       -2.14077
C         -4.64351       -1.33660        1.89862
C         -6.44673       -2.56437        0.12651
C         -6.02015       -1.27605        2.13200
F         -3.82265       -0.76009        2.77333
C         -6.91230       -1.88488        1.25620
F         -7.33451       -3.12598       -0.69166
F         -6.48538       -0.63972        3.20098
F         -8.21658       -1.81187        1.49718
149
l_tfpi_dimer_rh_cod_83.log
C         -0.05044       -5.43610       -1.53216
C          0.14262       -6.61989       -0.82451
C          1.37015       -6.84435       -0.20837
C          2.37733       -5.88754       -0.27782
C          2.17155       -4.69620       -0.97862
C          0.95486       -4.47790       -1.62167
C          3.21636       -3.62336       -0.96414
O          3.11273       -2.89618        0.32038
H         -0.65624       -7.35146       -0.75664
H          1.53434       -7.76895        0.33687
H          3.32875       -6.05982        0.21955
H          0.78620       -3.56399       -2.18178
H          3.10487       -2.92799       -1.79877
H          4.22739       -4.03693       -0.96157
C         -3.00715        3.23851        2.07155
C         -3.39075        4.53586        2.39452
C         -2.57842        5.28019        3.24606
C         -1.42032        4.72861        3.78006
C         -1.04879        3.42146        3.45494
C         -1.83943        2.67804        2.58616
C          0.22115        2.86794        4.04194
O          0.37030        1.46788        3.69132
H         -4.30915        4.95392        1.99591
H         -2.86268        6.29600        3.50413
H         -0.79780        5.31504        4.45200
H         -1.55530        1.67192        2.29886
H          0.18800        2.90558        5.13644
H          1.09199        3.44684        3.71300
Rh         1.29452       -1.39433        2.56057
C          1.82821       -3.51287        3.12006
C          0.71040       -3.61229        2.31386
C         -0.69383       -1.43196        3.63171
C          0.27552       -1.55435        4.61084
C          1.86651       -3.53393        4.62092
H          2.79724       -3.64471        2.63858
C         -0.70732       -3.84742        2.77944
H          0.88675       -3.80328        1.25651
C         -1.48664       -2.53932        2.99964
H         -1.09360       -0.43546        3.45008
C          0.67322       -2.83995        5.29974
H          0.58547       -0.63792        5.11115
H          2.79468       -3.04127        4.93355
H          1.94423       -4.57781        4.96354
H         -1.22380       -4.42650        2.00650
H         -0.70632       -4.46245        3.68273
H         -1.85263       -2.17243        2.03379
H         -2.38326       -2.72906        3.61083
H         -0.18747       -3.51006        5.36211
H          0.95801       -2.60152        6.32949
P          2.37087       -1.50226        0.58797
O          3.44312       -0.32644        0.22770
O          1.37619       -1.45534       -0.72271
C          3.94549       -0.25876       -1.07561
C          0.89897       -0.21339       -1.14393
C          5.26981       -0.68082       -1.26916
C          3.14408        0.23462       -2.08654
C          1.75576        0.65599       -1.79165
C         -0.45876        0.06298       -0.91746
C          5.81750       -0.60536       -2.52241
H          5.83517       -1.04331       -0.41697
C          3.68394        0.24541       -3.41419
C          1.25190        1.95043       -2.13350
C         -0.97179        1.26392       -1.33367
H         -1.07424       -0.68985       -0.43570
C          5.04468       -0.15447       -3.61948
H          6.84742       -0.90912       -2.69128
C          2.91040        0.59196       -4.55044
C         -0.13583        2.23886       -1.92894
C          2.08825        2.98445       -2.62327
H         -2.02564        1.48866       -1.19140
C          5.58791       -0.12545       -4.92751
C          3.46434        0.59318       -5.80896
H          1.86448        0.85056       -4.42509
C         -0.64024        3.51244       -2.28950
C          1.57192        4.21949       -2.93697
H          3.15136        2.79817       -2.73845
C          4.81846        0.24824       -6.00161
H          6.62595       -0.41897       -5.06369
H          2.85009        0.85726       -6.66538
C          0.19349        4.48301       -2.78843
H         -1.69914        3.71143       -2.14181
H          2.23305        5.00242       -3.29821
H          5.24304        0.26264       -7.00138
H         -0.20072        5.46057       -3.05163
P          1.49820        0.84152        2.74426
O          2.82747        1.42867        3.51620
O          1.52158        1.68120        1.34615
C          4.03967        1.36990        2.82281
C          1.96169        3.00681        1.26037
C          4.96606        0.39704        3.22971
C          4.27760        2.27316        1.80747
C          3.28538        3.32588        1.49757
C          1.00311        3.95118        0.85626
C          6.17275        0.31433        2.58502
H          4.70956       -0.26147        4.05430
C          5.49135        2.12528        1.06187
C          3.64666        4.71422        1.46365
C          1.36312        5.26620        0.73464
H         -0.00466        3.61508        0.64001
C          6.45822        1.15694        1.48356
H          6.91363       -0.41758        2.89584
C          5.75447        2.86567       -0.11787
C          2.67628        5.68495        1.05608
C          4.92554        5.17626        1.86397
H          0.63563        6.00539        0.40933
C          7.67192        1.02976        0.76389
C          6.93111        2.69793       -0.80920
H          5.01007        3.56486       -0.48440
C          3.03895        7.05303        1.00283
C          5.24044        6.51404        1.81826
H          5.66087        4.46489        2.22414
C          7.90986        1.78877       -0.35543
H          8.40388        0.30220        1.10645
H          7.10647        3.26826       -1.71723
C          4.29779        7.46213        1.36902
H          2.29295        7.77404        0.67759
H          6.22457        6.84458        2.13859
H          8.83964        1.67658       -0.90604
H          4.56526        8.51427        1.33032
N         -3.82008        2.45153        1.20766
C         -4.28441        2.87950       -0.05104
C         -4.25802        1.14911        1.51845
C         -5.08675        1.75126       -0.58176
O         -4.04325        3.94618       -0.57019
C         -5.06468        0.71354        0.35444
O         -4.01659        0.54456        2.53935
C         -5.76410        1.61457       -1.77252
C         -5.72741       -0.46883        0.11455
C         -6.44114        0.41775       -2.02171
F         -5.80126        2.57441       -2.69412
C         -6.42804       -0.60912       -1.08577
F         -5.72252       -1.48645        0.97354
F         -7.09749        0.24904       -3.16586
F         -7.07472       -1.74116       -1.34921
N         -1.29682       -5.18280       -2.17089
C         -2.04286       -4.00627       -1.97933
C         -1.90361       -6.05182       -3.09946
C         -3.21149       -4.12704       -2.88070
O         -1.76889       -3.10966       -1.21225
C         -3.13953       -5.35838       -3.53776
O         -1.46915       -7.12435       -3.45117
C         -4.24903       -3.25599       -3.12096
C         -4.11652       -5.73853       -4.43054
C         -5.24550       -3.63434       -4.02355
F         -4.33509       -2.06337       -2.53106
C         -5.17965       -4.86313       -4.67064
F         -4.08889       -6.90208       -5.07556
F         -6.26204       -2.81529       -4.27682
F         -6.13854       -5.20176       -5.52702
149
l_tfpi_dimer_rh_cod_84.log
C         -1.16680       -4.67802       -0.82016
C         -0.94964       -6.05213       -0.71257
C          0.24861       -6.58198       -1.17513
C          1.23870       -5.74597       -1.68728
C          1.01856       -4.37218       -1.78503
C         -0.21043       -3.84333       -1.38404
C          2.13094       -3.44994       -2.19184
O          2.72654       -2.84244       -0.98982
H         -1.70101       -6.69235       -0.26154
H          0.42444       -7.65111       -1.10237
H          2.19405       -6.16061       -1.99850
H         -0.41465       -2.78317       -1.47902
H          1.79762       -2.65900       -2.86804
H          2.95541       -3.99865       -2.65142
C         -3.62768        2.20111        1.34476
C         -4.55810        2.83699        2.16373
C         -4.23173        3.06833        3.49492
C         -2.99652        2.67021        3.99829
C         -2.07121        2.03032        3.17242
C         -2.39653        1.78283        1.83940
C         -0.70680        1.70093        3.71093
O         -0.25301        0.41957        3.17746
H         -5.51991        3.14163        1.76399
H         -4.95020        3.55687        4.14631
H         -2.74876        2.85774        5.04001
H         -1.69570        1.27693        1.18303
H         -0.72956        1.60110        4.79995
H          0.01036        2.49051        3.45471
Rh         1.45589       -2.01205        1.91921
C          3.03501       -3.60373        2.04611
C          1.82057       -4.22164        1.76846
C          0.35309       -2.74788        3.76066
C          1.59078       -2.33351        4.21029
C          3.69396       -3.53545        3.39443
H          3.71062       -3.42346        1.21097
C          1.01539       -5.01258        2.77750
H          1.60525       -4.43222        0.72277
C         -0.05418       -4.17120        3.49892
H         -0.46596       -2.03026        3.81449
C          2.73411       -3.25740        4.56608
H          1.66456       -1.32346        4.60934
H          4.45514       -2.75116        3.35366
H          4.23606       -4.47856        3.56992
H          0.51213       -5.82902        2.24948
H          1.69263       -5.48050        3.49829
H         -0.96684       -4.15496        2.89699
H         -0.32438       -4.64455        4.45582
H          2.32628       -4.19192        4.96257
H          3.30514       -2.79710        5.37888
P          2.15372       -1.56993       -0.18031
O          3.38142       -0.50138       -0.21623
O          1.11054       -0.98642       -1.30669
C          4.01914       -0.30884       -1.44900
C          0.98889        0.32844       -1.72711
C          5.30336       -0.85892       -1.58108
C          3.38587        0.40782       -2.44291
C          2.06688        1.04265       -2.21722
C         -0.32318        0.83545       -1.71526
C          5.97904       -0.70194       -2.76152
H          5.73684       -1.38677       -0.73749
C          4.04326        0.48372       -3.71828
C          1.84463        2.42577       -2.53586
C         -0.56116        2.10794       -2.15641
H         -1.12108        0.19224       -1.35668
C          5.36466       -0.05121       -3.85877
H          6.98329       -1.10088       -2.87806
C          3.41875        1.02634       -4.86924
C          0.51220        2.94532       -2.54330
C          2.90977        3.31861       -2.81039
H         -1.57178        2.50745       -2.16854
C          6.02684        0.04612       -5.10728
C          4.08147        1.08573       -6.07272
H          2.39776        1.38596       -4.80486
C          0.29336        4.30245       -2.87964
C          2.66739        4.64076       -3.10274
H          3.93135        2.95569       -2.77117
C          5.40403        0.61135       -6.19263
H          7.03496       -0.35230       -5.19086
H          3.57666        1.49666       -6.94265
C          1.34849        5.13718       -3.15720
H         -0.72798        4.67650       -2.88670
H          3.50242        5.31016       -3.29010
H          5.91789        0.67606       -7.14752
H          1.17282        6.18128       -3.40043
P          1.10197        0.17515        2.35763
O          2.18372        0.93551        3.35126
O          1.09696        1.20557        1.08094
C          3.47461        0.99927        2.80894
C          1.44381        2.55919        1.14360
C          4.42641        0.08679        3.28950
C          3.74918        1.94023        1.83841
C          2.72606        2.94530        1.48611
C          0.45033        3.47682        0.75915
C          5.68340        0.08026        2.74274
H          4.14573       -0.58769        4.09175
C          5.02866        1.88246        1.19928
C          3.00757        4.35113        1.54741
C          0.73533        4.81534        0.73610
H         -0.52411        3.10746        0.46481
C          6.00546        0.94848        1.67111
H          6.43907       -0.61026        3.10826
C          5.34676        2.67350        0.06803
C          2.00701        5.28806        1.13550
C          4.23373        4.86199        2.04318
H         -0.02152        5.52979        0.42311
C          7.27257        0.89320        1.03997
C          6.57791        2.57843       -0.53693
H          4.59985        3.35015       -0.33378
C          2.29422        6.67469        1.16323
C          4.47569        6.21533        2.07372
H          4.98737        4.17631        2.41465
C          7.55783        1.69453       -0.03850
H          8.01021        0.18936        1.41805
H          6.79544        3.18544       -1.41163
C          3.50785        7.13251        1.61370
H          1.52608        7.36907        0.83160
H          5.42100        6.58203        2.46400
H          8.52936        1.63719       -0.52134
H          3.71850        8.19797        1.63561
N         -3.92720        2.01010       -0.03623
C         -4.27951        3.06372       -0.90687
C         -3.83447        0.78225       -0.70912
C         -4.44684        2.43578       -2.23953
O         -4.38826        4.22803       -0.59895
C         -4.17290        1.07041       -2.12081
O         -3.53352       -0.28027       -0.20877
C         -4.75091        2.99029       -3.46225
C         -4.19521        0.24397       -3.22102
C         -4.78209        2.15649       -4.58369
F         -5.00869        4.28588       -3.62180
C         -4.50658        0.79920       -4.46496
F         -3.92455       -1.05808       -3.14959
F         -5.07311        2.66118       -5.77874
F         -4.53578        0.02940       -5.54846
N         -2.35327       -4.10532       -0.28425
C         -2.34460       -3.06342        0.66700
C         -3.65346       -4.59665       -0.51571
C         -3.74860       -2.91920        1.10855
O         -1.36970       -2.43978        1.02861
C         -4.53783       -3.80754        0.37414
O         -3.94704       -5.47667       -1.29264
C         -4.31241       -2.06261        2.02657
C         -5.90437       -3.84161        0.54162
C         -5.69678       -2.09316        2.20307
F         -3.59447       -1.21329        2.75617
C         -6.48500       -2.97042        1.46630
F         -6.69290       -4.66833       -0.14247
F         -6.27369       -1.27524        3.08022
F         -7.80190       -2.97937        1.65448
149
l_tfpi_dimer_rh_cod_85.log
C         -2.39232       -2.78174       -1.76407
C         -3.49125       -3.42095       -1.19934
C         -3.30965       -4.14973       -0.02603
C         -2.06210       -4.20167        0.59095
C         -0.96650       -3.55480        0.01477
C         -1.13285       -2.87730       -1.18869
C          0.37214       -3.52369        0.68630
O          0.44844       -2.44876        1.70381
H         -4.46721       -3.35122       -1.67053
H         -4.15323       -4.67435        0.41321
H         -1.93808       -4.74711        1.52315
H         -0.28776       -2.38529       -1.65912
H          1.17439       -3.39681       -0.04253
H          0.55161       -4.42975        1.26968
C         -3.38658        2.01906        0.90350
C         -3.45530        2.75030       -0.28357
C         -2.71838        3.92358       -0.40274
C         -1.90436        4.35617        0.63822
C         -1.82200        3.61178        1.81697
C         -2.57599        2.44682        1.95459
C         -0.97427        4.08916        2.95887
O          0.42716        3.67071        2.90368
H         -4.07183        2.40223       -1.10331
H         -2.78345        4.50130       -1.32013
H         -1.33861        5.27955        0.54560
H         -2.54248        1.88948        2.88461
H         -1.39518        3.77606        3.91715
H         -0.90685        5.17971        2.95308
Rh         0.24043        0.23944        3.45966
C          0.83870       -1.62558        4.60396
C         -0.54233       -1.62897        4.49495
C         -0.82110        1.15017        5.21913
C          0.51157        1.07779        5.58336
C          1.63119       -1.20749        5.80866
H          1.40040       -2.22272        3.88813
C         -1.49259       -1.28089        5.61647
H         -0.97447       -2.16945        3.65576
C         -1.91783        0.19683        5.59995
H         -1.17747        2.10378        4.83781
C          1.09923        0.04750        6.52219
H          1.11037        1.97612        5.44264
H          2.66137       -1.03252        5.48415
H          1.67245       -2.05171        6.51508
H         -2.39051       -1.89845        5.51029
H         -1.04278       -1.54473        6.57779
H         -2.73463        0.32784        4.88143
H         -2.32291        0.48868        6.58164
H          0.34668       -0.22139        7.26903
H          1.92626        0.51364        7.06711
P          0.74003       -0.88020        1.53119
O          2.30398       -0.68725        1.10178
O         -0.04965       -0.60579        0.12569
C          2.81084       -1.45234        0.04741
C          0.36459        0.18421       -0.93225
C          3.70860       -2.47352        0.39875
C          2.43390       -1.18084       -1.25322
C          1.56503       -0.03020       -1.58543
C         -0.57912        1.12955       -1.36619
C          4.22078       -3.28223       -0.58022
H          3.97842       -2.59457        1.44321
C          2.87314       -2.09863       -2.26757
C          1.91511        0.89203       -2.63099
C         -0.30482        1.92570       -2.44307
H         -1.51736        1.20112       -0.82859
C          3.79903       -3.13621       -1.92397
H          4.93151       -4.06571       -0.33063
C          2.37994       -2.05994       -3.59603
C          0.95344        1.84964       -3.08531
C          3.20481        0.91755       -3.21699
H         -1.03690        2.65100       -2.78994
C          4.25131       -4.02761       -2.92780
C          2.81919       -2.95724       -4.54076
H          1.63036       -1.32462       -3.86763
C          1.29270        2.74009       -4.13230
C          3.51445        1.81554       -4.21212
H          3.96387        0.22904       -2.86182
C          3.77950       -3.93685       -4.21421
H          4.96754       -4.79753       -2.65157
H          2.41405       -2.91503       -5.54813
C          2.54783        2.72416       -4.69061
H          0.54300        3.45285       -4.46867
H          4.51679        1.82624       -4.63132
H          4.12589       -4.63007       -4.97543
H          2.80409        3.41907       -5.48529
P          1.01825        2.19411        2.62601
O          2.51166        2.61406        3.18947
O          1.29224        2.13792        1.01265
C          3.56471        1.79082        2.79118
C          2.15862        3.04150        0.39428
C          4.08931        0.90555        3.74611
C          4.06422        1.90532        1.50861
C          3.52170        2.93955        0.60034
C          1.58018        3.97849       -0.47608
C          5.12385        0.07688        3.39759
H          3.66841        0.90826        4.74652
C          5.08239        0.98190        1.10873
C          4.36535        3.89987       -0.04921
C          2.38632        4.84499       -1.16562
H          0.50361        3.97766       -0.60292
C          5.62817        0.07638        2.07461
H          5.55268       -0.60548        4.12715
C          5.53470        0.88488       -0.23048
C          3.78716        4.83631       -0.96640
C          5.75615        3.99316        0.20974
H          1.95546        5.56061       -1.86115
C          6.64600       -0.82719        1.68099
C          6.50479       -0.02251       -0.58605
H          5.09766        1.52879       -0.98625
C          4.62318        5.76408       -1.63515
C          6.53697        4.91809       -0.44244
H          6.20839        3.33223        0.94128
C          7.08167       -0.87413        0.37940
H          7.06212       -1.49745        2.42937
H          6.82778       -0.08652       -1.62170
C          5.97330        5.80063       -1.38767
H          4.16798        6.45674       -2.33887
H          7.59930        4.97433       -0.22158
H          7.85546       -1.57799        0.08591
H          6.60583        6.51899       -1.90151
N         -4.15684        0.83520        1.05125
C         -3.71605       -0.32249        1.72078
C         -5.48188        0.68984        0.57812
C         -4.86257       -1.25668        1.70697
O         -2.61266       -0.50396        2.19091
C         -5.90182       -0.67083        0.98161
O         -6.12815        1.53379        0.00274
C         -5.00291       -2.51074        2.25614
C         -7.08637       -1.34099        0.77433
C         -6.20313       -3.19606        2.05447
F         -4.04597       -3.09548        2.97489
C         -7.23063       -2.62120        1.31562
F         -8.09764       -0.82025        0.08371
F         -6.36716       -4.41317        2.56549
F         -8.36024       -3.29795        1.13230
N         -2.53254       -1.94383       -2.91025
C         -3.19256       -0.70185       -2.85945
C         -1.72058       -2.06466       -4.05495
C         -2.80552        0.00422       -4.10422
O         -3.89528       -0.31218       -1.95206
C         -1.90767       -0.80327       -4.80894
O         -1.02175       -3.01499       -4.32415
C         -3.10795        1.27236       -4.54565
C         -1.30455       -0.35358       -5.96171
C         -2.49929        1.73622       -5.71428
F         -3.93679        2.08438       -3.89149
C         -1.60660        0.93304       -6.41437
F         -0.43000       -1.08528       -6.64848
F         -2.75734        2.96353       -6.15708
F         -1.03095        1.40489       -7.51599
149
l_tfpi_dimer_rh_cod_86.log
C         -0.17917       -5.45985       -1.38467
C         -0.02336       -6.62316       -0.63524
C          1.19054       -6.85509        0.00479
C          2.22114       -5.92531       -0.08387
C          2.05313       -4.75431       -0.82788
C          0.84998       -4.52926       -1.49350
C          3.12534       -3.70877       -0.83951
O          3.03624       -2.94203        0.42301
H         -0.84016       -7.33319       -0.55389
H          1.32578       -7.76413        0.58312
H          3.16201       -6.10310        0.43135
H          0.71063       -3.63192       -2.08743
H          3.03442       -3.03511       -1.69419
H          4.12542       -4.14792       -0.82080
C         -2.93670        3.38206        2.00037
C         -3.29176        4.69786        2.27803
C         -2.45669        5.45682        3.09409
C         -1.30408        4.90301        3.63774
C         -0.96142        3.57753        3.35844
C         -1.77532        2.81837        2.52590
C          0.30203        3.01875        3.95466
O          0.41934        1.60483        3.65085
H         -4.20538        5.11947        1.87233
H         -2.71884        6.48686        3.31682
H         -0.66393        5.50186        4.28157
H         -1.51490        1.79589        2.27709
H          0.27819        3.09380        5.04748
H          1.18197        3.56796        3.60026
Rh         1.26984       -1.31578        2.61703
C          1.76271       -3.42264        3.25384
C          0.63495       -3.52866        2.46241
C         -0.70760       -1.26778        3.70648
C          0.26787       -1.37391        4.68158
C          1.81535       -3.38689        4.75410
H          2.72381       -3.59333        2.76877
C         -0.78206       -3.71359        2.95172
H          0.79614       -3.76505        1.41155
C         -1.53039       -2.38054        3.12405
H         -1.08656       -0.27015        3.49025
C          0.64489       -2.63997        5.41674
H          0.60218       -0.44619        5.14378
H          2.75765       -2.90455        5.03931
H          1.87235       -4.41844        5.13589
H         -1.31977       -4.31435        2.21061
H         -0.78380       -4.28744        3.88152
H         -1.89551       -2.04394        2.14685
H         -2.42594       -2.52558        3.74884
H         -0.22924       -3.28816        5.51373
H          0.94581       -2.36784        6.43343
P          2.32809       -1.52242        0.64197
O          3.42170       -0.38389        0.23000
O          1.32574       -1.50359       -0.66329
C          3.91023       -0.36521       -1.08014
C          0.86487       -0.26764       -1.11906
C          5.22579       -0.81400       -1.27397
C          3.10707        0.11208       -2.09760
C          1.72932        0.56601       -1.80253
C         -0.48518        0.03915       -0.88679
C          5.76256       -0.78268       -2.53379
H          5.79378       -1.16051       -0.41687
C          3.63385        0.07516       -3.43002
C          1.24382        1.85818       -2.17868
C         -0.98212        1.23543       -1.33450
H         -1.10781       -0.68792       -0.37570
C          4.98645       -0.35098       -3.63620
H          6.78621       -1.10672       -2.70312
C          2.85441        0.39991       -4.56866
C         -0.13616        2.17728       -1.96751
C          2.09187        2.86178       -2.70982
H         -2.03031        1.48262       -1.18838
C          5.51766       -0.36689       -4.94939
C          3.39630        0.35734       -5.83164
H          1.81356        0.67722       -4.44113
C         -0.62252        3.44832       -2.36052
C          1.59321        4.09528       -3.05636
H          3.14999        2.65295       -2.83140
C          4.74355       -0.01236       -6.02661
H          6.54990       -0.67975       -5.08664
H          2.77767        0.60544       -6.68968
C          0.22163        4.38792       -2.89953
H         -1.67582        3.67090       -2.20641
H          2.26344        4.85464       -3.44977
H          5.15893       -0.03218       -7.03015
H         -0.15864        5.36388       -3.18795
P          1.52589        0.91999        2.71912
O          2.87350        1.50263        3.46216
O          1.56058        1.71045        1.29294
C          4.07898        1.39088        2.76375
C          2.03026        3.02187        1.16009
C          4.98393        0.40950        3.19739
C          4.33210        2.25343        1.71701
C          3.36273        3.31816        1.37722
C          1.08938        3.97419        0.73412
C          6.18382        0.27538        2.54877
H          4.71708       -0.21473        4.04505
C          5.53763        2.05156        0.97043
C          3.75472        4.69614        1.29521
C          1.47752        5.27623        0.56772
H          0.07244        3.65407        0.53700
C          6.48296        1.07382        1.41848
H          6.90846       -0.46392        2.87977
C          5.81203        2.74686       -0.23389
C          2.80256        5.67509        0.86468
C          5.04720        5.14180        1.66958
H          0.76362        6.02105        0.22555
C          7.68857        0.89258        0.69685
C          6.98015        2.52750       -0.92530
H          5.08339        3.45243       -0.61934
C          3.19505        7.03231        0.76472
C          5.39153        6.46995        1.57776
H          5.77005        4.42601        2.04589
C          7.93852        1.60887       -0.44773
H          8.40408        0.15816        1.05904
H          7.16448        3.06365       -1.85220
C          4.46610        7.42431        1.10656
H          2.46221        7.75928        0.42324
H          6.38560        6.78828        1.87923
H          8.86187        1.45586       -0.99932
H          4.75676        8.46831        1.03149
N         -3.77038        2.57908        1.17164
C         -4.21562        1.29003        1.52540
C         -4.23691        2.96915       -0.09871
C         -5.02698        0.82144        0.37785
O         -3.97572        0.71720        2.56481
C         -5.04741        1.82910       -0.59054
O         -3.99081        4.01678       -0.65316
C         -5.69046       -0.36756        0.17543
C         -5.72426        1.65532       -1.77679
C         -6.38919       -0.54585       -1.02085
F         -5.68573       -1.35730        1.06638
C         -6.40161        0.45150       -1.98828
F         -5.75915        2.58457       -2.72930
F         -7.03439       -1.68615       -1.25043
F         -7.05560        0.24585       -3.12773
N         -1.41120       -5.19904       -2.04794
C         -2.13274       -4.00069       -1.90347
C         -2.02619       -6.08392       -2.95571
C         -3.28988       -4.12219       -2.81969
O         -1.85165       -3.08929       -1.15668
C         -3.23964       -5.37685       -3.43334
O         -1.61263       -7.17732       -3.26593
C         -4.30328       -3.23593       -3.10356
C         -4.21525       -5.76499       -4.32409
C         -5.29889       -3.62255       -4.00361
F         -4.36841       -2.02202       -2.55601
C         -5.25432       -4.87395       -4.60801
F         -4.20817       -6.95132       -4.92687
F         -6.29507       -2.79075       -4.29383
F         -6.21180       -5.22046       -5.46287
149
l_tfpi_dimer_rh_cod_9.log
C          1.15383       -6.20054       -0.76065
C          1.71719       -7.26245       -0.05173
C          3.07398       -7.22448        0.24827
C          3.84410       -6.11427       -0.09245
C          3.27096       -5.05165       -0.79070
C          1.92973       -5.12296       -1.16882
C          4.02023       -3.76721       -0.99162
O          3.61324       -2.81322        0.05524
H          1.10315       -8.09527        0.27425
H          3.52322       -8.05070        0.79122
H          4.88878       -6.06364        0.20369
H          1.47716       -4.32023       -1.73766
H          3.84313       -3.32306       -1.97405
H          5.09323       -3.89658       -0.83597
C         -3.40183        3.11483        2.74853
C         -3.54110        3.15600        4.13724
C         -3.49122        1.96854        4.85437
C         -3.31458        0.75498        4.19378
C         -3.19753        0.72191        2.80560
C         -3.23627        1.90994        2.07671
C         -3.05314       -0.59926        2.10560
O         -2.06321       -0.57331        1.03612
H         -3.68706        4.10414        4.64372
H         -3.58975        1.99009        5.93562
H         -3.26775       -0.17160        4.76071
H         -3.11603        1.89760        0.99790
H         -3.98026       -0.86746        1.58841
H         -2.82629       -1.38876        2.82639
Rh         0.81029       -2.32457        1.70308
C          2.52286       -2.96069        3.00695
C          1.97265       -4.10813        2.44852
C         -0.74379       -3.33422        2.97940
C         -0.19368       -2.34840        3.77827
C          2.27868       -2.46227        4.40266
H          3.41698       -2.55200        2.53721
C          1.09547       -5.09044        3.19250
H          2.44141       -4.48658        1.54370
C         -0.40501       -4.79816        3.01799
H         -1.65865       -3.09995        2.43374
C          0.81885       -2.58348        4.87674
H         -0.71642       -1.39488        3.83625
H          2.58968       -1.41409        4.44452
H          2.94345       -3.00469        5.09394
H          1.29821       -6.09373        2.80404
H          1.37006       -5.10571        4.25089
H         -0.75349       -5.24708        2.08210
H         -0.98476       -5.27809        3.82192
H          0.63709       -3.56262        5.32875
H          0.64770       -1.84132        5.66310
P          2.30424       -1.86902        0.04529
O          2.91988       -0.36318        0.12306
O          1.87873       -2.01921       -1.53241
C          3.99295       -0.07628       -0.73172
C          1.53971       -0.99179       -2.39974
C          5.25779        0.03191       -0.13286
C          3.76796        0.09628       -2.08214
C          2.39797        0.06387       -2.64496
C          0.31485       -1.15596       -3.07100
C          6.34726        0.30712       -0.91543
H          5.34097       -0.09498        0.94195
C          4.91907        0.27777       -2.92172
C          1.91142        1.12293       -3.48524
C         -0.09906       -0.20733       -3.96493
H         -0.28162       -2.03709       -2.85501
C          6.21198        0.41424       -2.32056
H          7.33222        0.41669       -0.46933
C          4.83861        0.27987       -4.33693
C          0.66100        0.97017       -4.16333
C          2.60509        2.34945       -3.63520
H         -1.04021       -0.32494       -4.49565
C          7.34540        0.61988       -3.14505
C          5.96191        0.46007       -5.10949
H          3.87953        0.12148       -4.81783
C          0.17825        2.01897       -4.98243
C          2.09730        3.35995       -4.41831
H          3.53853        2.49958       -3.10416
C          7.22512        0.65192       -4.51250
H          8.31655        0.73644       -2.67018
H          5.87547        0.44740       -6.19248
C          0.87912        3.19364       -5.10891
H         -0.77248        1.88252       -5.49230
H          2.63902        4.29831       -4.50039
H          8.10110        0.80431       -5.13655
H          0.49383        3.99862       -5.72842
P         -0.45481       -0.52472        1.16243
O         -0.28442        0.78569        2.15407
O         -0.09737        0.11916       -0.28741
C          0.95818        1.41925        2.08368
C         -0.48359        1.42772       -0.59331
C          1.85597        1.20131        3.13994
C          1.23795        2.23414        1.00190
C          0.18892        2.48674       -0.01264
C         -1.50977        1.58403       -1.53794
C          3.09997        1.77411        3.09243
H          1.53748        0.58603        3.97529
C          2.56373        2.76535        0.90289
C         -0.20496        3.81049       -0.39769
C         -1.83838        2.84319       -1.96635
H         -2.00069        0.70031       -1.93030
C          3.49353        2.54054        1.96907
H          3.80692        1.62299        3.90424
C          3.02049        3.45270       -0.24830
C         -1.18633        3.97800       -1.42872
C          0.32842        4.97598        0.20872
H         -2.60596        2.98396       -2.72288
C          4.80609        3.06374        1.86740
C          4.30900        3.92676       -0.32632
H          2.34527        3.59259       -1.08540
C         -1.50031        5.28228       -1.88540
C         -0.00538        6.22807       -0.25135
H          1.01482        4.87740        1.04284
C          5.20788        3.74676        0.74563
H          5.49632        2.89471        2.69040
H          4.63906        4.44099       -1.22502
C         -0.90141        6.38553       -1.32969
H         -2.22822        5.38828       -2.68650
H          0.42361        7.10593        0.22434
H          6.22030        4.13412        0.67327
H         -1.13740        7.38078       -1.69622
N         -3.44213        4.33048        2.01069
C         -2.70842        5.48264        2.35825
C         -4.26264        4.54628        0.88592
C         -3.11913        6.52152        1.38559
O         -1.90675        5.56637        3.26105
C         -4.03760        5.95851        0.49698
O         -4.99635        3.73001        0.37541
C         -2.70503        7.82600        1.24227
C         -4.55488        6.69520       -0.54458
C         -3.23239        8.58255        0.19379
F         -1.81559        8.39175        2.05594
C         -4.14802        8.02306       -0.68984
F         -5.41697        6.19016       -1.42527
F         -2.84786        9.84462        0.02332
F         -4.62595        8.76124       -1.68819
N         -0.24593       -6.16350       -1.00649
C         -1.04737       -5.03559       -0.73519
C         -1.01432       -7.25846       -1.45481
C         -2.43716       -5.45937       -1.00754
O         -0.65583       -3.95289       -0.35099
C         -2.41946       -6.78722       -1.44365
O         -0.57943       -8.33932       -1.77953
C         -3.62265       -4.77211       -0.87205
C         -3.58915       -7.44043       -1.76071
C         -4.81402       -5.43141       -1.18457
F         -3.67847       -3.50971       -0.44956
C         -4.79695       -6.74985       -1.62553
F         -3.61822       -8.70317       -2.17889
F         -5.97774       -4.80056       -1.05935
F         -5.94464       -7.35571       -1.91321
85
l_tfpi_rh_cod_1.log
C         -2.59577       -2.10359       -0.58484
C         -3.26700       -3.19633       -0.04247
C         -2.57326       -4.39280        0.10745
C         -1.22146       -4.47939       -0.22438
C         -0.56508       -3.38276       -0.77875
C         -1.27373       -2.20204       -0.99826
C          0.90689       -3.38605       -1.06016
O          1.64929       -2.68023       -0.00713
H         -4.30147       -3.10670        0.27373
H         -3.08369       -5.25566        0.52449
H         -0.67564       -5.40279       -0.04998
H         -0.80489       -1.36049       -1.50023
H          1.13801       -2.90495       -2.01655
H          1.31925       -4.39640       -1.05007
Rh        -0.43323       -0.80262        1.82015
C         -2.36168       -1.23230        2.89117
C         -1.88147       -0.05106        3.41715
C          0.81937       -0.93139        3.53321
C          0.29491       -2.21493        3.24079
C         -2.21848       -2.59568        3.51161
H         -3.09255       -1.16779        2.08419
C         -1.19073        0.05944        4.75267
H         -2.21475        0.88126        2.96047
C          0.33841        0.01024        4.60541
H          1.85339       -0.74770        3.24637
C         -0.80537       -2.88925        4.04628
H          0.97097       -2.90819        2.73896
H         -2.47151       -3.33338        2.74367
H         -2.96337       -2.71549        4.31297
H         -1.47273        1.01095        5.21486
H         -1.54520       -0.73340        5.41679
H          0.70938        1.01035        4.35236
H          0.81105       -0.25991        5.56294
H         -0.71180       -2.58990        5.09542
H         -0.64306       -3.97127        4.01895
P          1.34146       -1.16739        0.45933
O          1.42318       -0.39920       -1.00001
O          2.76944       -0.77469        1.13519
C          1.81245        0.94391       -0.99155
C          3.92604       -0.81822        0.34206
C          0.83220        1.91028       -1.26815
C          3.14055        1.25462       -0.76704
C          4.13154        0.16718       -0.60138
C          4.83861       -1.85234        0.59996
C          1.18153        3.23546       -1.27665
H         -0.18087        1.58689       -1.48152
C          3.49715        2.63904       -0.69121
C          5.29701        0.06006       -1.42773
C          5.99395       -1.91704       -0.13427
H          4.61222       -2.57472        1.37793
C          2.50420        3.63397       -0.96726
H          0.43963        3.99718       -1.50189
C          4.79231        3.07038       -0.31013
C          6.24352       -0.98383       -1.16965
C          5.53222        0.92125       -2.52855
H          6.72078       -2.70260        0.05465
C          2.85950        5.00404       -0.90902
C          5.09963        4.40885       -0.24787
H          5.54575        2.33271       -0.05435
C          7.40475       -1.08284       -1.97491
C          6.66216        0.78744       -3.30033
H          4.80453        1.68855       -2.77044
C          4.13237        5.38629       -0.56349
H          2.09813        5.74721       -1.13292
H          6.09669        4.71744        0.05367
C          7.61633       -0.21148       -3.01500
H          8.11941       -1.87304       -1.75853
H          6.81830        1.45430       -4.14373
H          4.39413        6.43954       -0.51704
H          8.50759       -0.29910       -3.62982
N         -3.21418       -0.82757       -0.68015
C         -2.62966        0.33214       -0.19877
C         -4.43002       -0.55323       -1.37048
C         -3.50106        1.44357       -0.59344
O         -1.58577        0.41968        0.45175
C         -4.59498        0.91428       -1.28944
O         -5.12348       -1.38431       -1.90024
C         -3.38868        2.79782       -0.36780
C         -5.58838        1.73761       -1.76818
C         -4.39360        3.63822       -0.85482
F         -2.36419        3.33357        0.28854
C         -5.47910        3.11509       -1.54787
F         -6.64344        1.27843       -2.43135
F         -4.31419        4.94892       -0.65944
F         -6.41759        3.93571       -2.00316
85
l_tfpi_rh_cod_2.log
C         -2.14624       -1.55748       -1.91306
C         -1.71639       -1.49619       -3.23445
C         -0.65412       -2.30318       -3.63663
C         -0.02957       -3.15222       -2.72955
C         -0.46403       -3.20331       -1.40283
C         -1.53251       -2.40630       -0.99821
C          0.25272       -4.03142       -0.38124
O          1.49402       -3.38268        0.10352
H         -2.21161       -0.83492       -3.93909
H         -0.31612       -2.26684       -4.66771
H          0.80765       -3.76918       -3.04586
H         -1.88692       -2.44867        0.02563
H          0.60634       -4.97763       -0.79563
H         -0.37586       -4.22311        0.49222
Rh         0.27135       -0.16854        1.07359
C         -1.32318        1.33661        1.66223
C         -0.09816        1.77773        2.11999
C          0.28084       -0.88002        3.07599
C         -0.85248       -1.38042        2.37647
C         -2.36496        0.67453        2.53127
H         -1.64581        1.68967        0.68196
C          0.44559        1.62119        3.51419
H          0.44735        2.48336        1.49454
C          0.21346        0.22421        4.11539
H          1.11359       -1.57129        3.20378
C         -2.26164       -0.86221        2.49962
H         -0.79612       -2.41972        2.04767
H         -3.35857        0.96626        2.17477
H         -2.27679        1.04692        3.55572
H          1.52273        1.81579        3.46779
H          0.01709        2.39606        4.16803
H          0.98120        0.03967        4.87295
H         -0.75143        0.17301        4.63031
H         -2.73700       -1.29868        3.39199
H         -2.82840       -1.23793        1.64042
P          1.64037       -1.80136        0.29818
O          2.11178       -1.29362       -1.19880
O          3.05683       -1.74010        1.11881
C          2.27930        0.08795       -0.99520
C          4.29333       -1.58683        0.48992
C          1.13546        0.91005       -1.12980
C          3.50094        0.52700       -0.53446
C          4.56048       -0.48204       -0.30362
C          5.25553       -2.56692        0.78328
C          1.26701        2.25592       -0.85315
H          0.22469        0.50359       -1.57127
C          3.61860        1.91085       -0.18556
C          5.84947       -0.39605       -0.91777
C          6.51480       -2.45328        0.25486
H          4.98072       -3.39260        1.43224
C          2.49020        2.77824       -0.37500
H          0.41848        2.92332       -0.98009
C          4.78085        2.44523        0.41688
C          6.84037       -1.38386       -0.61279
C          6.17491        0.61438       -1.85691
H          7.27247       -3.19855        0.48235
C          2.59578        4.14494       -0.01742
C          4.84410        3.77481        0.76528
H          5.62717        1.79507        0.61181
C          8.12204       -1.28856       -1.20809
C          7.42506        0.67077       -2.42631
H          5.42290        1.34511       -2.13672
C          3.75239        4.63699        0.53492
H          1.73619        4.79102       -0.17636
H          5.74571        4.16427        1.22960
C          8.41348       -0.27865       -2.09191
H          8.86682       -2.04015       -0.95825
H          7.65196        1.45084       -3.14764
H          3.82456        5.68469        0.81168
H          9.39808       -0.21630       -2.54645
N         -3.20693       -0.72317       -1.45932
C         -4.36363       -1.20218       -0.81217
C         -3.14758        0.67978       -1.47217
C         -5.11117        0.00876       -0.39675
O         -4.64566       -2.36651       -0.64490
C         -4.38328        1.13470       -0.79375
O         -2.24313        1.34562       -1.92854
C         -6.30320        0.13993        0.27930
C         -4.83687        2.40417       -0.51571
C         -6.77398        1.42616        0.55785
F         -7.02146       -0.90557        0.68097
C         -6.04794        2.54513        0.16687
F         -4.16886        3.50009       -0.86948
F         -7.92343        1.58859        1.20514
F         -6.51558        3.75723        0.44833
85
l_tfpi_rh_cod_3.log
C         -2.42270       -1.92184       -1.74381
C         -2.09979       -2.19395       -3.06795
C         -1.01469       -3.02425       -3.34019
C         -0.26500       -3.56355       -2.30132
C         -0.59618       -3.28365       -0.97268
C         -1.68494       -2.46021       -0.69465
C          0.21238       -3.84953        0.15376
O          1.51073       -3.16899        0.31711
H         -2.68906       -1.76106       -3.87096
H         -0.75649       -3.24902       -4.37056
H          0.58194       -4.20965       -2.51853
H         -1.96778       -2.24557        0.33229
H          0.49703       -4.88632       -0.03735
H         -0.32692       -3.79219        1.10214
Rh         0.46694        0.10742        1.35289
C         -0.88218        1.76818        2.12449
C          0.42385        2.03668        2.48091
C          0.56688       -0.67375        3.33385
C         -0.66797       -1.01624        2.71667
C         -1.92142        1.18750        3.05210
H         -1.24436        2.18429        1.18533
C          1.06423        1.77103        3.81681
H          0.99710        2.68906        1.82166
C          0.71470        0.39299        4.40320
H          1.31920       -1.46129        3.37146
C         -1.99521       -0.34947        2.95851
H         -0.75982       -2.04064        2.35635
H         -2.89986        1.60013        2.78504
H         -1.71654        1.50429        4.07871
H          2.14902        1.83547        3.67948
H          0.79158        2.57035        4.52270
H          1.51124        0.09305        5.09093
H         -0.20619        0.43993        4.99343
H         -2.45286       -0.76742        3.86918
H         -2.65738       -0.62713        2.12980
P          1.67221       -1.58173        0.44687
O          1.95739       -1.12299       -1.11392
O          3.18535       -1.50905        1.07724
C          2.20090        0.25615       -0.97003
C          4.33264       -1.44171        0.28712
C          1.07838        1.11747       -0.94578
C          3.49093        0.66012       -0.70478
C          4.53399       -0.38358       -0.58467
C          5.28546       -2.45310        0.49233
C          1.29324        2.46170       -0.71634
H          0.09850        0.73557       -1.23298
C          3.70643        2.04535       -0.41263
C          5.73103       -0.37680       -1.36623
C          6.46466       -2.41761       -0.20545
H          5.06895       -3.24020        1.20795
C          2.59133        2.94896       -0.44401
H          0.45648        3.15560       -0.72114
C          4.96467        2.54900       -0.00929
C          6.71318       -1.39735       -1.15421
C          5.96920        0.58601       -2.37852
H          7.21520       -3.18815       -0.04968
C          2.79433        4.31660       -0.13478
C          5.12395        3.88109        0.29664
H          5.81031        1.87401        0.06696
C          7.90637       -1.38114       -1.91716
C          7.13358        0.56630       -3.10909
H          5.21817        1.34242       -2.58356
C          4.03776        4.77714        0.22121
H          1.94102        4.98898       -0.17171
H          6.09905        4.24608        0.60661
C          8.11780       -0.41622       -2.87122
H          8.64684       -2.15682       -1.73810
H          7.29462        1.31115       -3.88343
H          4.18529        5.82581        0.46206
H          9.03449       -0.41456       -3.45395
N         -3.52367       -1.07068       -1.43331
C         -3.37626        0.18170       -0.82313
C         -4.87438       -1.41874       -1.62502
C         -4.75292        0.67468       -0.58892
O         -2.32016        0.72084       -0.56485
C         -5.65205       -0.28011       -1.07529
O         -5.27153       -2.44493       -2.12622
C         -5.20166        1.83313        0.00383
C         -7.01082       -0.08265       -0.97714
C         -6.57937        2.03733        0.11195
F         -4.37544        2.76130        0.48443
C         -7.47350        1.09005       -0.37318
F         -7.90052       -0.96251       -1.42944
F         -7.04627        3.14341        0.68335
F         -8.77987        1.30726       -0.25704
85
l_tfpi_rh_cod_4.log
C         -2.36768       -1.85045       -1.91125
C         -2.02462       -2.16697       -3.22025
C         -0.95916       -3.03499       -3.44719
C         -0.25268       -3.57280       -2.37819
C         -0.60398       -3.24924       -1.06493
C         -1.66887       -2.38099       -0.83106
C          0.15445       -3.82350        0.09152
O          1.48256       -3.20323        0.25567
H         -2.58541       -1.74038       -4.04661
H         -0.68553       -3.29382       -4.46549
H          0.57506       -4.25395       -2.55929
H         -1.96317       -2.12831        0.18488
H          0.39103       -4.87781       -0.06624
H         -0.39941       -3.71364        1.02663
Rh         0.43862       -0.00324        1.43180
C         -1.06470        1.53889        2.06470
C          0.11242        1.84254        2.71558
C          0.77917       -0.84987        3.34499
C         -0.54515       -1.14235        2.91362
C         -2.21931        0.77318        2.65505
H         -1.26818        2.03778        1.11694
C          0.39361        1.53043        4.16498
H          0.79335        2.54419        2.23299
C          1.18103        0.21849        4.32424
H          1.50026       -1.66710        3.28568
C         -1.79534       -0.47202        3.45983
H         -0.70539       -2.14804        2.52830
H         -2.86357        0.45910        1.82732
H         -2.82789        1.44121        3.28313
H          0.98302        2.34937        4.58995
H         -0.54475        1.49242        4.72423
H          2.24913        0.41555        4.17392
H          1.08052       -0.16933        5.35030
H         -1.63809       -0.22346        4.51429
H         -2.61556       -1.19613        3.43262
P          1.68171       -1.62909        0.46248
O          1.99110       -1.09511       -1.06855
O          3.18807       -1.61656        1.11079
C          2.23266        0.27407       -0.84063
C          4.34719       -1.49610        0.34489
C          1.10185        1.12261       -0.76162
C          3.51503        0.66143       -0.52564
C          4.55958       -0.38568       -0.45610
C          5.29945       -2.51629        0.50325
C          1.30187        2.44039       -0.40061
H          0.13185        0.76268       -1.10739
C          3.71758        2.02055       -0.11812
C          5.77057       -0.32644       -1.21301
C          6.49084       -2.43403       -0.16921
H          5.07304       -3.34721        1.16412
C          2.59356        2.91206       -0.07290
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C          4.96811        2.49824        0.33549
C          6.75274       -1.35560       -1.04721
C          6.02447        0.70008       -2.15636
H          7.24159       -3.21058       -0.04836
C          2.78062        4.24776        0.35895
C          5.11246        3.79941        0.76056
H          5.82060        1.82801        0.35515
C          7.95979       -1.28788       -1.78475
C          7.20271        0.73006       -2.86409
H          5.27472        1.46649       -2.32666
C          4.01792        4.68740        0.76094
H          1.92073        4.91243        0.37790
H          6.08265        4.14485        1.10618
C          8.18559       -0.26347       -2.67116
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H          7.37604        1.52377       -3.58535
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H          9.11311       -0.22202       -3.23492
N         -3.46274       -0.97478       -1.65182
C         -4.81334       -1.31581       -1.86195
C         -3.31654        0.29494       -1.08148
C         -5.59093       -0.15551       -1.36105
O         -5.20939       -2.35356       -2.33923
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O         -2.26066        0.83596       -0.82556
C         -6.94965        0.05298       -1.28657
C         -5.14103        1.97512       -0.31541
C         -7.41242        1.24115       -0.71381
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C         -6.51877        2.19104       -0.23217
F         -4.31499        2.90213        0.16700
F         -8.71848        1.47049       -0.62193
F         -6.98709        3.30954        0.31280
85
l_tfpi_rh_cod_5.log
C         -2.08294       -1.75116       -1.37313
C         -1.74964       -1.98730       -2.70447
C         -0.74609       -2.90779       -2.99203
C         -0.03250       -3.51856       -1.96521
C         -0.36707       -3.26456       -0.63558
C         -1.44247       -2.42761       -0.34426
C          0.52794       -3.67889        0.48982
O          1.60705       -2.68673        0.63972
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H         -0.48777       -3.10843       -4.02732
H          0.80458       -4.17264       -2.19518
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H          1.05433       -4.61453        0.29236
H         -0.01554       -3.74723        1.43832
Rh        -0.48327       -0.49851        1.99620
C         -2.45280       -0.88075        3.03962
C         -2.07068        0.38411        3.42558
C          0.68065       -0.29233        3.74904
C          0.24657       -1.64083        3.63378
C         -2.25487       -2.14560        3.83339
H         -3.13782       -0.96541        2.19395
C         -1.43606        0.71424        4.75161
H         -2.42275        1.22606        2.83083
C          0.09625        0.76639        4.64353
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C         -0.85823       -2.27106        4.47028
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H         -2.41539       -2.98965        3.15406
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H         -1.80021        1.69348        5.07902
H         -1.75054       -0.01016        5.50676
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H          0.55769        0.69154        5.64100
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H         -0.63222       -3.33421        4.59752
P          1.30649       -1.10612        0.77906
O          1.40366       -0.66380       -0.80524
O          2.73256       -0.57976        1.36414
C          1.82102        0.63919       -1.08838
C          3.89658       -0.81441        0.61696
C          0.86092        1.54103       -1.57560
C          3.15658        0.96550       -0.93836
C          4.12536       -0.07426       -0.52462
C          4.79013       -1.77539        1.11414
C          1.23845        2.82276       -1.88164
H         -0.15986        1.20137       -1.71316
C          3.54277        2.32370       -1.17506
C          5.29222       -0.38908       -1.29516
C          5.94794       -2.02585        0.42487
H          4.54723       -2.29626        2.03503
C          2.57027        3.25213       -1.66914
H          0.51174        3.53010       -2.27262
C          4.84809        2.80238       -0.89900
C          6.21797       -1.36159       -0.79612
C          5.54643        0.19016       -2.56323
H          6.66052       -2.75753        0.79635
C          2.95459        4.59217       -1.92145
C          5.18405        4.11324       -1.14115
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C          7.37969       -1.66441       -1.54822
C          6.67540       -0.13926       -3.27560
H          4.83411        0.89340       -2.98148
C          4.23672        5.01496       -1.67051
H          2.20818        5.28163       -2.30845
H          6.18867        4.46049       -0.91622
C          7.60987       -1.06188       -2.76049
H          8.07927       -2.39529       -1.14993
H          6.84628        0.31128       -4.24937
H          4.52117        6.04542       -1.86351
H          8.50105       -1.30460       -3.33228
N         -3.00763       -0.72031       -1.03940
C         -2.67533        0.36462       -0.23677
C         -4.27139       -0.53674       -1.66538
C         -3.78631        1.31898       -0.33623
O         -1.64592        0.50277        0.42315
C         -4.75791        0.77336       -1.18391
O         -4.79012       -1.32362       -2.41830
C         -3.97870        2.54096        0.27092
C         -5.93224        1.44553       -1.43434
C         -5.16770        3.22957        0.01760
F         -3.07936        3.08952        1.08222
C         -6.13315        2.68821       -0.82396
F         -6.87836        0.96349       -2.23227
F         -5.38171        4.41240        0.58128
F         -7.25276        3.36384       -1.04999
