20
cod_1.log
C          1.16687       -1.25120        0.48111
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C         -1.16687        1.25124        0.48109
C          0.07446        1.67337        0.21708
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H         -2.47923       -0.36933        0.80421
H          1.81061        1.85298       -0.99231
H          0.65262        0.71154       -1.63147
20
cod_2.log
C          1.24901       -1.36385       -0.20856
C          0.00675       -1.85299       -0.17356
C         -1.24900        1.36385        0.20862
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H         -2.79455        0.03049       -0.39128
H          2.00170        1.91917       -0.52424
H          0.96140        0.85875       -1.46940
20
cod_3.log
C          1.21815       -1.40241       -0.23532
C          0.05454       -1.85686        0.23766
C         -1.21810        1.40238       -0.23536
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H         -2.70887       -0.03799       -0.60638
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H          2.01925        1.80928        0.60024
20
cod_4.log
C          1.21346       -1.20615       -0.54248
C         -0.01188       -1.67343       -0.28082
C         -1.21328        1.20620       -0.54251
C          0.01201        1.67344       -0.28052
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C         -1.91973       -0.01192       -0.01802
H         -1.80996        1.78468       -1.25029
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H         -2.69685        0.30704        0.69438
H          0.62288        0.73767        1.57029
H          1.73886        1.91977        0.93012
20
cod_5.log
C          1.17598       -1.20080       -0.48310
C         -0.06427       -1.69032       -0.44235
C         -1.23217        1.27936       -0.15624
C          0.01528        1.77191       -0.19448
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C         -1.08587       -1.26218        0.56729
H         -0.38515       -2.40232       -1.20304
C         -1.89761       -0.04703        0.10360
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H         -2.69476        0.13648        0.83991
H          1.91377        1.95609        0.69923
H          1.94340        1.41846       -0.95647
20
cod_6.log
C          1.22486       -1.27364        0.23383
C         -0.02352       -1.76534        0.24374
C         -1.19100        1.21361        0.42336
C          0.05014        1.70251        0.41174
C          1.89930        0.04664       -0.03460
H          1.97738       -2.01742        0.50884
C         -1.42114       -1.26148       -0.00741
H         -0.06278       -2.82110        0.52486
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H         -1.89340        1.55109        1.18574
C          1.10416        1.25067       -0.55323
H          0.34598        2.43267        1.16536
H          2.72049       -0.15359       -0.73939
H          2.40410        0.33493        0.90153
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H         -2.74889        0.26721       -0.68658
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H          0.66421        0.99924       -1.52506
77
l_ndi_1.log
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77
l_ndi_10.log
C         -6.07379       -0.49588       -0.86814
C         -4.78047       -1.16314       -0.61131
C         -3.92156       -0.66534        0.39010
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77
l_ndi_100.log
C         -7.33717       -1.56500        1.12319
C         -5.95458       -2.09247        1.07127
C         -4.88767       -1.33838        1.60279
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77
l_ndi_11.log
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77
l_ndi_18.log
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77
l_ndi_19.log
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77
l_ndi_2.log
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l_ndi_20.log
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l_ndi_21.log
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77
l_ndi_23.log
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77
l_ndi_24.log
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l_ndi_27.log
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l_ndi_28.log
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l_ndi_29.log
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77
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77
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l_ndi_43.log
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77
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77
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77
l_ndi_73.log
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77
l_ndi_74.log
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77
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77
l_ndi_98.log
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154
l_ndi_dimer_1.log
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175
l_ndi_dimer_rh_cod_10.log
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C          4.66547       -0.02100        3.33712
C          6.54477       -1.75617       -2.65745
H          5.45711       -3.47598       -1.96009
C          6.88925        0.03065       -0.99916
C          7.25949       -0.10135        2.22716
C          5.73978        0.32050        4.11603
H          3.65444       -0.00373        3.72843
C          7.04409       -0.47187       -2.33121
H          6.68088       -2.13402       -3.66752
C          7.31968        1.35217       -0.72228
C          7.05360        0.28290        3.59163
C          8.59254       -0.22082        1.75984
H          5.59351        0.60973        5.15343
C          7.67652        0.33847       -3.30646
C          7.90927        2.12025       -1.69814
H          7.16927        1.76158        0.27143
C          8.17199        0.59170        4.40412
C          9.65688        0.07284        2.57924
H          8.77508       -0.55691        0.74467
C          8.10522        1.60623       -2.99769
H          7.80145       -0.05981       -4.31060
H          8.22131        3.13544       -1.46850
C          9.44913        0.49759        3.90839
H          7.99646        0.89333        5.43395
H         10.66997       -0.03061        2.20052
H          8.58076        2.22271       -3.75542
H         10.30099        0.73294        4.54005
175
l_ndi_dimer_rh_cod_12.log
C         -7.97734        1.33081        2.54699
C         -6.70148        1.58707        1.84506
C         -6.71188        2.13285        0.54514
C         -7.92415        2.46869       -0.09191
C         -9.21140        2.24248        0.60214
N         -9.15225        1.62913        1.85550
C         -5.50193        1.26316        2.45411
C         -4.29041        1.47462        1.78584
C         -4.27703        2.00368        0.50707
C         -5.48670        2.33033       -0.13926
C         -5.50157        2.84399       -1.45370
C         -6.70384        3.16421       -2.05877
C         -7.91355        2.98568       -1.37509
C         -2.99045        2.24519       -0.17314
N         -3.05648        2.71363       -1.49437
C         -4.23452        3.01614       -2.19461
O        -10.28351        2.55795        0.10433
O         -8.01943        0.86644        3.67826
C        -10.41975        1.31444        2.52728
C         -1.79637        2.96658       -2.15592
O         -1.91217        2.06421        0.36984
O         -4.18761        3.40299       -3.35141
C         -1.30995        4.26957       -2.20594
C         -0.07903        4.50415       -2.80567
C          0.66261        3.44204       -3.31918
C          0.16699        2.14117       -3.26300
C         -1.08511        1.90749       -2.69320
C          0.97301        1.01565       -3.84296
O          1.08763       -0.16320       -2.97639
H         -5.50956        0.83813        3.45247
H         -3.34951        1.22307        2.26553
H         -6.70288        3.55122       -3.07255
H         -8.85363        3.23887       -1.85413
H        -10.30419        0.38035        3.07762
H        -10.68990        2.11155        3.22870
H        -11.19877        1.21779        1.77246
H         -1.88971        5.08148       -1.77613
H          0.31623        5.51469       -2.85418
H          1.63987        3.62477       -3.75781
H         -1.48836        0.90136       -2.63846
H          1.97543        1.35380       -4.11491
H          0.48752        0.61063       -4.73690
C         -6.87669       -0.48096       -2.11060
C         -5.65470       -0.87255       -1.37295
C         -5.75690       -1.40687       -0.07227
C         -7.01029       -1.55485        0.55620
C         -8.24446       -1.16154       -0.15809
N         -8.09341       -0.61991       -1.43661
C         -4.41359       -0.72613       -1.96815
C         -3.25392       -1.11866       -1.28934
C         -3.33098       -1.65703       -0.01658
C         -4.58263       -1.80600        0.61362
C         -4.68667       -2.34343        1.91309
C         -5.92695       -2.46014        2.51778
C         -7.08771       -2.06935        1.83857
C         -2.10227       -2.12272        0.65194
N         -2.26897       -2.78200        1.88335
C         -3.47890       -2.83165        2.60901
O         -9.35663       -1.29710        0.33382
O         -6.83495       -0.06058       -3.25811
C         -9.32016       -0.23228       -2.14680
C         -1.13426       -3.49159        2.41849
O         -0.99513       -1.98283        0.15067
O         -3.50438       -3.28254        3.74126
C         -1.23832       -4.86596        2.61602
C         -0.13063       -5.57654        3.06789
C          1.08060       -4.92588        3.28058
C          1.18312       -3.55110        3.06175
C          0.06153       -2.82782        2.65768
C          2.49963       -2.84963        3.18933
O          3.37640       -3.11970        2.04230
H         -4.34822       -0.31052       -2.96867
H         -2.28115       -1.02156       -1.75971
H         -5.99525       -2.87400        3.51867
H         -8.05818       -2.17281        2.31264
H        -10.01700        0.21776       -1.43909
H         -9.05834        0.47957       -2.92799
H         -9.79068       -1.11242       -2.59881
H         -2.17552       -5.37551        2.41355
H         -0.21211       -6.64660        3.23379
H          1.95451       -5.48672        3.60293
H          0.13435       -1.75660        2.50553
H          3.07178       -3.21213        4.04715
H          2.34587       -1.77223        3.29179
Rh         1.72960       -2.52038       -0.89019
C          1.09861       -4.64213       -0.35222
C          2.44030       -4.70593       -0.66970
C          1.63822       -3.23502       -3.02192
C          0.33348       -3.03082       -2.58111
C         -0.00386       -5.17359       -1.23872
H          0.84777       -4.49456        0.69532
C          3.00444       -5.14782       -1.98836
H          3.14877       -4.73048        0.15641
C          2.24696       -4.61026       -3.21533
H          2.11256       -2.42791       -3.57649
C         -0.62224       -4.11623       -2.17032
H         -0.13846       -2.08521       -2.83639
H         -0.79007       -5.57989       -0.59332
H          0.38946       -6.01406       -1.81979
H          4.04932       -4.82832       -2.02839
H          3.02660       -6.24886       -2.01102
H          2.94307       -4.56355       -4.05893
H          1.45146       -5.30503       -3.50467
H         -1.02488       -4.60432       -3.07161
H         -1.47092       -3.64238       -1.67105
P          1.76757       -0.34005       -1.53747
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O          0.93015        0.79557       -0.70527
C          3.49368        1.67193       -1.76190
C          1.42081        1.30734        0.48932
C          4.18877        2.02703       -2.93154
C          3.11956        2.58867       -0.79817
C          2.50630        2.16097        0.47744
C          0.72215        0.96635        1.65800
C          4.48283        3.34144       -3.17171
H          4.49205        1.24108       -3.61571
C          3.32522        3.97903       -1.09750
C          3.01688        2.59718        1.74461
C          1.13742        1.46852        2.86182
H         -0.15486        0.33627        1.56591
C          4.03849        4.34893       -2.28172
H          5.03401        3.62754       -4.06372
C          2.79444        5.01488       -0.28925
C          2.29787        2.27616        2.93998
C          4.24259        3.29806        1.87128
H          0.59366        1.23463        3.77380
C          4.25092        5.71915       -2.56947
C          3.00113        6.33733       -0.60625
H          2.20061        4.76052        0.58207
C          2.78196        2.73832        4.18837
C          4.70207        3.70484        3.10182
H          4.83290        3.50309        0.98454
C          3.74987        6.69735       -1.74547
H          4.80602        5.97994       -3.46734
H          2.57377        7.11268        0.02368
C          3.95633        3.44540        4.27080
H          2.21380        2.50022        5.08458
H          5.65151        4.22825        3.17452
H          3.91163        7.74611       -1.97796
H          4.32547        3.78532        5.23437
P          3.32355       -2.20323        0.70080
O          4.82263       -2.67406        0.19050
O          3.61825       -0.68457        1.24470
C          5.50015       -1.80351       -0.66426
C          4.78977       -0.42719        1.96811
C          5.60936       -2.15665       -2.01907
C          6.07636       -0.66359       -0.13783
C          6.00772       -0.41084        1.31672
C          4.65079       -0.12651        3.33308
C          6.30071       -1.33912       -2.87522
H          5.15326       -3.07733       -2.36446
C          6.70897        0.24737       -1.04224
C          7.18494       -0.18201        2.10201
C          5.76232        0.17304        4.07499
H          3.66111       -0.09961        3.77339
C          6.85005       -0.11766       -2.41902
H          6.41125       -1.60996       -3.92215
C          7.16152        1.52883       -0.63866
C          7.05038        0.13585        3.49147
C          8.49287       -0.30016        1.56800
H          5.66506        0.42840        5.12698
C          7.50473        0.76928       -3.30919
C          7.76688        2.37815       -1.53415
H          7.01658        1.84527        0.38916
C          8.21029        0.38466        4.26541
C          9.59954       -0.06873        2.35057
H          8.62200       -0.58900        0.53043
C          7.96161        1.98972       -2.87682
H          7.61937        0.47022       -4.34842
H          8.09482        3.36049       -1.20546
C          9.46145        0.29305        3.70704
H          8.08793        0.63724        5.31591
H         10.59189       -0.17308        1.92060
H          8.45324        2.66745       -3.56918
H         10.34578        0.48111        4.30922
175
l_ndi_dimer_rh_cod_13.log
C         -7.99660        1.31760        2.54882
C         -6.71983        1.57282        1.84837
C         -6.72932        2.12020        0.54914
C         -7.94195        2.44578       -0.09261
C         -9.23062        2.22346        0.60117
N         -9.16834        1.70486        1.89680
C         -5.52084        1.24697        2.45750
C         -4.30856        1.46302        1.79206
C         -4.29413        1.99290        0.51364
C         -5.50357        2.31603       -0.13504
C         -5.51764        2.82514       -1.45116
C         -6.72017        3.13430       -2.06141
C         -7.93080        2.95053       -1.38085
C         -3.00687        2.23768       -0.16417
N         -3.07179        2.70720       -1.48506
C         -4.24939        3.00238       -2.18900
O        -10.30384        2.47445        0.07000
O         -8.04403        0.78729        3.65045
C        -10.43007        1.45097        2.60430
C         -1.81108        2.96634       -2.14323
O         -1.92905        2.05841        0.38035
O         -4.20124        3.38784       -3.34620
C         -1.32682        4.27041       -2.18432
C         -0.09489        4.51069       -2.77986
C          0.64969        3.45296       -3.29811
C          0.15608        2.15094       -3.25095
C         -1.09690        1.91186       -2.68554
C          0.96547        1.02985       -3.83478
O          1.08213       -0.15203       -2.97241
H         -5.52910        0.82047        3.45521
H         -3.36801        1.21286        2.27316
H         -6.71879        3.51603       -3.07716
H         -8.87093        3.19297       -1.86540
H        -10.31827        1.74068        3.65021
H        -11.21680        2.03597        2.13078
H        -10.68459        0.38690        2.55330
H         -1.90869        5.07862       -1.75041
H          0.29858        5.52222       -2.82169
H          1.62775        3.63993       -3.73313
H         -1.49873        0.90493       -2.63841
H          1.96726        1.37165       -4.10445
H          0.48190        0.62693       -4.73070
C         -6.84838       -0.49205       -2.13459
C         -5.62990       -0.87984       -1.38794
C         -5.73718       -1.41501       -0.08791
C         -6.99257       -1.55961        0.53687
C         -8.22108       -1.15512       -0.17955
N         -8.06948       -0.64757       -1.47124
C         -4.38607       -0.73225       -1.97718
C         -3.22928       -1.12409       -1.29314
C         -3.31182       -1.66453       -0.02174
C         -4.56609       -1.81551        0.60247
C         -4.67589       -2.35681        1.89986
C         -5.91880       -2.47450        2.49896
C         -7.07611       -2.07764        1.81738
C         -2.08580       -2.12753        0.65263
N         -2.25755       -2.79249        1.88058
C         -3.47114       -2.84708        2.59967
O         -9.33431       -1.25464        0.31917
O         -6.79598       -0.06470       -3.27895
C         -9.30485       -0.28477       -2.17999
C         -1.12349       -3.50108        2.41831
O         -0.97565       -1.97949        0.16036
O         -3.50201       -3.30323        3.72968
C         -1.22626       -4.87583        2.61431
C         -0.11781       -5.58602        3.06487
C          1.09313       -4.93472        3.27734
C          1.19433       -3.55958        3.06028
C          0.07178       -2.83660        2.65847
C          2.51053       -2.85723        3.18608
O          3.38325       -3.12108        2.03450
H         -4.31616       -0.31667       -2.97739
H         -2.25440       -1.02638       -1.75885
H         -5.99174       -2.89235        3.49787
H         -8.04837       -2.17889        2.28809
H         -9.86570       -1.18880       -2.43853
H         -9.92581        0.34292       -1.53794
H         -9.03673        0.25244       -3.08795
H         -2.16282       -5.38605        2.41075
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H          1.96794       -5.49542        3.59751
H          0.14416       -1.76530        2.50715
H          3.08632       -3.22324        4.03996
H          2.35614       -1.78048        3.29402
Rh         1.72742       -2.51451       -0.89173
C          1.10349       -4.63845       -0.35937
C          2.44491       -4.69844       -0.67932
C          1.63743       -3.22288       -3.02541
C          0.33264       -3.02219       -2.58242
C          0.00038       -5.16925       -1.24554
H          0.85472       -4.49578        0.68935
C          3.00813       -5.13605       -1.99975
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H          4.05241       -4.81474       -2.04049
H          3.03211       -6.23701       -2.02486
H          2.94220       -4.54667       -4.06881
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C          4.17823        2.04534       -2.92004
C          3.10971        2.59641       -0.78362
C          2.49706        2.16277        0.49033
C          0.71403        0.96114        1.66551
C          4.46958        3.36123       -3.15525
H          4.48154        1.26279       -3.60805
C          3.31285        3.98836       -1.07739
C          3.00678        2.59449        1.75934
C          1.12895        1.45821        2.87158
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C          4.02455        4.36432       -2.26064
H          5.02000        3.65189       -4.04625
C          2.78091        5.01995       -0.26448
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C          4.23097        3.29746        1.88905
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C          4.23414        5.73608       -2.54308
C          2.98487        6.34404       -0.57633
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C          2.77190        2.72404        4.20377
C          4.68965        3.69980        3.12134
H          4.82053        3.50806        1.00314
C          3.73197        6.71001       -1.71471
H          4.78788        6.00153       -3.44041
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C          3.94481        3.43315        4.28927
H          2.20434        2.48065        5.09894
H          5.63798        4.22489        3.19629
H          3.89149        7.76000       -1.94319
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P          3.32517       -2.19988        0.69625
O          4.82428       -2.66611        0.18139
O          3.61843       -0.68261        1.24479
C          5.49848       -1.79171       -0.67194
C          4.79108       -0.42525        1.96626
C          5.60553       -2.14036       -2.02808
C          6.07407       -0.65258       -0.14302
C          6.00767       -0.40454        1.31245
C          4.65428       -0.12863        3.33236
C          6.29408       -1.31921       -2.88299
H          5.15006       -3.06059       -2.37547
C          6.70366        0.26211       -1.04579
C          7.18602       -0.17645        2.09633
C          5.76663        0.17096        4.07296
H          3.66527       -0.10427        3.77434
C          6.84266       -0.09847       -2.42397
H          6.40289       -1.58649       -3.93101
C          7.15526        1.54296       -0.63925
C          7.05366        0.13723        3.48693
C          8.49312       -0.29081        1.55945
H          5.67103        0.42275        5.12596
C          7.49460        0.79198       -3.31264
C          7.75799        2.39574       -1.53324
H          7.01204        1.85618        0.38978
C          8.21465        0.38567        4.25935
C          9.60093       -0.05974        2.34053
H          8.62075       -0.57550        0.52056
C          7.95078        2.01167       -2.87743
H          7.60775        0.49614       -4.35295
H          8.08526        3.37747       -1.20210
C          9.46489        0.29757        3.69837
H          8.09389        0.63467        5.31090
H         10.59260       -0.16185        1.90845
H          8.44026        2.69209       -3.56866
H         10.35005        0.48554        4.29936
175
l_ndi_dimer_rh_cod_14.log
C         -8.24214        0.29997        2.36186
C         -6.95458        0.87844        1.92304
C         -6.81336        1.35989        0.60557
C         -7.89501        1.32835       -0.29856
C         -9.19484        0.75911        0.12050
N         -9.26518        0.23153        1.41282
C         -5.88265        0.92458        2.79730
C         -4.65026        1.44314        2.38121
C         -4.48531        1.90934        1.08841
C         -5.56656        1.88467        0.18307
C         -5.42500        2.34811       -1.14157
C         -6.50254        2.31484       -2.00934
C         -7.73732        1.80806       -1.58711
C         -3.16752        2.41833        0.65567
N         -3.06763        2.83929       -0.68191
C         -4.11929        2.85220       -1.61333
O        -10.16419        0.73539       -0.62523
O         -8.41894       -0.11492        3.49901
C        -10.53505       -0.36869        1.84430
C         -1.78307        3.32324       -1.13223
O         -2.20387        2.47001        1.40281
O         -3.93991        3.25843       -2.75032
C         -1.33546        4.56875       -0.70335
C         -0.09438        5.02057       -1.13529
C          0.68623        4.22917       -1.97463
C          0.22614        2.98485       -2.40230
C         -1.02610        2.53579       -1.98464
C          1.07896        2.15221       -3.31434
O          1.21190        0.74654       -2.89819
H         -6.00301        0.54788        3.80802
H         -3.81104        1.47613        3.06843
H         -6.37957        2.67530       -3.02544
H         -8.57804        1.77757       -2.27257
H        -10.32412       -1.22680        2.48305
H        -11.12684        0.36027        2.40892
H        -11.08955       -0.68066        0.96094
H         -1.95153        5.16784       -0.03931
H          0.27388        5.98795       -0.80616
H          1.66563        4.57752       -2.29174
H         -1.40100        1.56750       -2.30385
H          2.07223        2.59287       -3.42315
H          0.62274        2.06589       -4.30577
C         -6.99523       -1.40151       -2.37902
C         -5.77916       -1.35026       -1.54027
C         -5.82884       -1.79798       -0.20440
C         -7.01615       -2.32964        0.33972
C         -8.24195       -2.40565       -0.48654
N         -8.16160       -1.88414       -1.78133
C         -4.60129       -0.84168       -2.05926
C         -3.45273       -0.76311       -1.26260
C         -3.48238       -1.18202        0.05616
C         -4.66643       -1.71796        0.60264
C         -4.72122       -2.15875        1.94079
C         -5.89643       -2.68086        2.45265
C         -7.04215       -2.76719        1.65259
C         -2.26564       -1.07042        0.88465
N         -2.36575       -1.52387        2.21258
C         -3.52118       -2.07407        2.79859
O         -9.28213       -2.88807       -0.06087
O         -7.00143       -1.03664       -3.54661
C         -9.36894       -1.90937       -2.61832
C         -1.16258       -1.50477        3.00963
O         -1.21713       -0.61426        0.45588
O         -3.50808       -2.46764        3.95317
C         -1.07769       -0.70422        4.14153
C          0.08769       -0.74505        4.90184
C          1.15857       -1.54662        4.51497
C          1.07311       -2.32417        3.35865
C         -0.10566       -2.31327        2.61749
C          2.22988       -3.18718        2.92996
O          2.24864       -3.35554        1.48609
H         -4.57729       -0.49830       -3.08858
H         -2.52900       -0.36477       -1.66862
H         -5.92533       -3.01696        3.48396
H         -7.96246       -3.17217        2.06044
H         -9.44494       -0.96884       -3.16562
H         -9.31545       -2.73558       -3.33546
H        -10.23484       -2.04183       -1.97254
H         -1.91017       -0.07001        4.42957
H          0.16679       -0.13372        5.79601
H          2.06813       -1.56073        5.11018
H         -0.20600       -2.92078        1.72520
H          2.12275       -4.20609        3.31787
H          3.18465       -2.78903        3.28563
Rh         1.46128       -2.09085       -1.41177
C          1.16657       -2.20722       -3.65140
C         -0.08860       -2.08126       -3.08109
C          0.40642       -4.05453       -1.01455
C          1.53329       -4.37163       -1.74847
C          1.81686       -3.47756       -4.11727
H          1.63751       -1.30169       -4.02858
C         -1.08585       -3.20451       -2.91028
H         -0.49431       -1.07327       -3.00558
C         -0.99204       -3.88769       -1.53518
H          0.48019       -4.16369        0.06576
C          1.54965       -4.70026       -3.22394
H          2.41179       -4.69098       -1.18893
H          2.89587       -3.29560       -4.16780
H          1.49318       -3.68659       -5.14925
H         -2.09271       -2.78613       -3.01487
H         -0.96805       -3.93304       -3.71710
H         -1.54936       -3.29513       -0.80078
H         -1.48368       -4.87281       -1.56584
H          0.60716       -5.18250       -3.49663
H          2.33990       -5.43673       -3.40157
P          1.88170        0.13709       -1.57277
O          3.48840        0.42100       -1.59700
O          1.34022        1.23716       -0.49616
C          3.95725        1.72246       -1.80100
C          2.01414        1.69852        0.61947
C          4.59396        1.96124       -3.03031
C          3.81265        2.67778       -0.81519
C          3.22855        2.35057        0.50549
C          1.32300        1.56510        1.83686
C          5.07362        3.21303       -3.30511
H          4.69513        1.14033       -3.73317
C          4.21444        4.01866       -1.14221
C          3.88518        2.72635        1.72593
C          1.88369        2.05192        2.98600
H          0.34724        1.08764        1.82399
C          4.87334        4.27320       -2.38779
H          5.58500        3.41318       -4.24301
C          3.92286        5.12520       -0.30582
C          3.18501        2.61048        2.96860
C          5.22956        3.17329        1.75584
H          1.35144        1.97886        3.93090
C          5.27794        5.59307       -2.70607
C          4.30555        6.39867       -0.65614
H          3.36968        4.96768        0.61348
C          3.82426        3.00780        4.16744
C          5.83382        3.52041        2.94199
H          5.79378        3.22530        0.83046
C          5.00727        6.63687       -1.85593
H          5.79068        5.76381       -3.64952
H          4.05676        7.23154       -0.00425
C          5.12229        3.45764        4.15812
H          3.27276        2.92343        5.10094
H          6.87151        3.84260        2.94159
H          5.31339        7.64697       -2.11277
H          5.60953        3.74674        5.08513
P          2.81293       -2.33638        0.37910
O          4.24885       -3.09222        0.08291
O          3.31011       -0.97511        1.12907
C          5.10143       -2.37019       -0.75995
C          4.51125       -0.85785        1.84035
C          5.18634       -2.76747       -2.10363
C          5.81985       -1.31893       -0.22949
C          5.73315       -1.02532        1.21688
C          4.38541       -0.47164        3.18517
C          6.00662       -2.07195       -2.95387
H          4.61038       -3.62553       -2.43658
C          6.61061       -0.53309       -1.12822
C          6.91015       -0.93831        2.03517
C          5.50733       -0.29848        3.94942
H          3.39232       -0.29967        3.58432
C          6.71962       -0.93641       -2.49775
H          6.10181       -2.37227       -3.99420
C          7.25216        0.66579       -0.72897
C          6.79018       -0.54512        3.40600
C          8.19888       -1.27155        1.54804
H          5.42202        0.01534        4.98634
C          7.52138       -0.17412       -3.38323
C          8.00466        1.39497       -1.61916
H          7.13508        1.01720        0.29069
C          7.95443       -0.43250        4.20422
C          9.30833       -1.17054        2.35434
H          8.30926       -1.62460        0.52843
C          8.15922        0.96360       -2.95346
H          7.60823       -0.50186       -4.41641
H          8.47947        2.31643       -1.29312
C          9.19224       -0.73020        3.68906
H          7.84431       -0.11766        5.23914
H         10.28415       -1.43974        1.95971
H          8.76581        1.54478       -3.64234
H         10.07944       -0.64571        4.31015
175
l_ndi_dimer_rh_cod_16.log
C         -8.33358        1.16539        2.60569
C         -7.02028        1.37687        1.95945
C         -6.95283        1.95496        0.67556
C         -8.12186        2.36526        0.00154
C         -9.44456        2.18464        0.63966
N         -9.46493        1.53604        1.87658
C         -5.86218        0.97968        2.60481
C         -4.61776        1.13823        1.98515
C         -4.52731        1.69789        0.72229
C         -5.69247        2.11731        0.04779
C         -5.63034        2.68341       -1.24337
C         -6.79082        3.07641       -1.88568
C         -8.03553        2.92171       -1.26186
C         -3.20402        1.87601        0.09366
N         -3.19028        2.47471       -1.17473
C         -4.32355        2.86607       -1.90650
O        -10.47975        2.56825        0.11316
O         -8.44087        0.67807        3.72289
C        -10.77388        1.28004        2.49152
C         -1.89953        2.79660       -1.74095
O         -2.16142        1.54610        0.63813
O         -4.20596        3.34041       -3.02514
C         -1.42277        4.09593       -1.58872
C         -0.18886        4.43074       -2.13083
C          0.56288        3.46600       -2.79665
C          0.08219        2.16584       -2.93475
C         -1.17027        1.83183       -2.41418
C          0.91253        1.14639       -3.65492
O          1.17959       -0.07179       -2.87704
H         -5.92849        0.53390        3.59179
H         -3.71111        0.82072        2.49080
H         -6.72968        3.50698       -2.87982
H         -8.94264        3.23300       -1.76928
H        -10.71720        0.35650        3.06735
H        -11.05036        2.10336        3.15968
H        -11.51923        1.19175        1.70204
H         -2.01973        4.83034       -1.05520
H          0.19447        5.44118       -2.02371
H          1.53715        3.72085       -3.20493
H         -1.56186        0.82322       -2.51525
H          1.86551        1.57528       -3.97490
H          0.38639        0.76028       -4.53347
C         -7.52747       -0.53337       -2.02393
C         -6.25244       -0.95317       -1.40467
C         -6.25378       -1.52454       -0.11655
C         -7.45605       -1.70044        0.59927
C         -8.74721       -1.30504       -0.00759
N         -8.69270       -0.72242       -1.27745
C         -5.06152       -0.78445       -2.08933
C         -3.85232       -1.19865       -1.51824
C         -3.82856       -1.76696       -0.25593
C         -5.02702       -1.92500        0.47004
C         -5.02704       -2.46125        1.77358
C         -6.21797       -2.60911        2.46437
C         -7.43244       -2.24053        1.87322
C         -2.55234       -2.25726        0.30206
N         -2.60501       -2.82570        1.58754
C         -3.75703       -2.87800        2.40029
O         -9.81221       -1.47405        0.56991
O         -7.58400       -0.04350       -3.14304
C         -9.94839       -0.30671       -1.91733
C         -1.41083       -3.45050        2.10518
O         -1.50270       -2.20763       -0.32138
O         -3.68829       -3.26906        3.55322
C         -1.44042       -4.81578        2.36752
C         -0.30374       -5.43855        2.87346
C          0.85266       -4.70241        3.10234
C          0.88587       -3.33615        2.81279
C         -0.25659       -2.70573        2.31851
C          2.14494       -2.55265        3.03495
O          3.22559       -2.97400        2.12578
H         -5.07471       -0.33726       -3.07822
H         -2.92290       -1.08805       -2.06702
H         -6.20391       -3.02160        3.46797
H         -8.36403       -2.36964        2.41421
H        -10.74809       -0.37126       -1.18199
H         -9.84925        0.71881       -2.27969
H        -10.17092       -0.96160       -2.76571
H         -2.34596       -5.38512        2.18023
H         -0.32571       -6.50236        3.09035
H          1.74061       -5.18927        3.49859
H         -0.24589       -1.64206        2.10183
H          2.55550       -2.73912        4.03108
H          1.96091       -1.47910        2.92393
Rh         2.15177       -2.49278       -1.04104
C          1.71266       -4.63256       -0.42479
C          2.89387       -4.68529       -1.13613
C          1.94840       -2.95529       -3.26506
C          0.70292       -3.12922       -2.69184
C          0.33796       -4.94098       -0.94134
H          1.78914       -4.59025        0.65994
C          3.02853       -5.16465       -2.56329
H          3.81813       -4.66345       -0.56178
C          2.93790       -4.03354       -3.59994
H          2.15107       -2.00092       -3.74509
C          0.07131       -4.46627       -2.38094
H          0.02625       -2.27689       -2.70155
H         -0.37678       -4.45573       -0.27185
H          0.15946       -6.02482       -0.85863
H          4.00279       -5.65314       -2.66873
H          2.27305       -5.93107       -2.75725
H          3.91898       -3.55908       -3.70616
H          2.69089       -4.44818       -4.59007
H          0.40810       -5.21004       -3.10854
H         -1.01160       -4.36884       -2.51072
P          1.98277       -0.27355       -1.50644
O          3.47092        0.37963       -1.62342
O          1.18116        0.82865       -0.59681
C          3.69298        1.74139       -1.84198
C          1.70737        1.44789        0.52558
C          4.34082        2.06029       -3.04834
C          3.36480        2.68053       -0.88350
C          2.79243        2.29984        0.42640
C          1.01083        1.22868        1.72613
C          4.63977        3.36509       -3.33029
H          4.60556        1.25444       -3.72608
C          3.57036        4.06292       -1.22686
C          3.32953        2.81770        1.65355
C          1.43726        1.83469        2.87688
H          0.12341        0.60616        1.69921
C          4.24443        4.39673       -2.44480
H          5.16071        3.62435       -4.24831
C          3.07469        5.12629       -0.43185
C          2.61739        2.61625        2.87827
C          4.57624        3.48936        1.71224
H          0.89178        1.69591        3.80694
C          4.46701        5.75680       -2.77154
C          3.28727        6.43791       -0.78770
H          2.50189        4.90419        0.46173
C          3.12857        3.16236        4.08065
C          5.06437        3.97571        2.90226
H          5.16101        3.60745        0.80596
C          4.00727        6.76141       -1.95576
H          4.99471        5.98772       -3.69369
H          2.88592        7.23306       -0.16534
C          4.32582        3.83476        4.09571
H          2.56453        3.01295        4.99832
H          6.03151        4.47057        2.92326
H          4.17639        7.80201       -2.21768
H          4.71770        4.23753        5.02545
P          3.46980       -2.15810        0.75020
O          5.00936       -2.69927        0.52270
O          3.73010       -0.61657        1.23056
C          5.72970       -1.92464       -0.39885
C          4.84901       -0.31974        2.01901
C          5.89178       -2.42400       -1.70027
C          6.24675       -0.71431        0.01876
C          6.10140       -0.32433        1.43799
C          4.62507        0.02165        3.36162
C          6.55967       -1.66562       -2.62765
H          5.49008       -3.40205       -1.94337
C          6.87342        0.11798       -0.95990
C          7.22734       -0.02183        2.26869
C          5.68980        0.37438        4.14873
H          3.61131        0.02356        3.74614
C          7.04062       -0.37632       -2.29348
H          6.70484       -2.03703       -3.63886
C          7.28441        1.44399       -0.67515
C          7.00742        0.35571        3.63284
C          8.56478       -0.12221        1.80956
H          5.53308        0.65812        5.18613
C          7.66547        0.44731       -3.26250
C          7.86639        2.22499       -1.64531
H          7.12493        1.84646        0.31998
C          8.11637        0.67685        4.45348
C          9.61982        0.18297        2.63676
H          8.75807       -0.45256        0.79448
C          8.07457        1.71975       -2.94638
H          7.79989        0.05549       -4.26795
H          8.16312        3.24341       -1.40980
C          9.39782        0.60100        3.96575
H          7.93021        0.97331        5.48293
H         10.63663        0.09414        2.26439
H          8.54390        2.34652       -3.69953
H         10.24240        0.84558        4.60365
175
l_ndi_dimer_rh_cod_17.log
C         -9.00525        1.17245        0.92236
C         -7.88173        1.34545       -0.02396
C         -7.01205        0.26680       -0.28981
C         -7.20467       -0.98863        0.32172
C         -8.30909       -1.17820        1.28687
N         -9.10739       -0.06396        1.56358
C         -7.66732        2.57516       -0.62072
C         -6.57878        2.76552       -1.48055
C         -5.71315        1.72168       -1.75613
C         -5.92672        0.45014       -1.18271
C         -5.06555       -0.63425       -1.45543
C         -5.27840       -1.86073       -0.84979
C         -6.34174       -2.03536        0.04480
C         -4.54087        1.95156       -2.62427
N         -3.72781        0.83718       -2.88254
C         -3.93592       -0.46143       -2.39286
O         -8.51831       -2.25185        1.83405
O         -9.80499        2.06809        1.15681
C        -10.18749       -0.22379        2.54685
C         -2.60091        1.03860       -3.76392
O         -4.26957        3.04181       -3.10112
O         -3.21006       -1.37980       -2.73815
C         -2.78816        0.95660       -5.13872
C         -1.70096        1.16128       -5.98156
C         -0.44481        1.43934       -5.44870
C         -0.26701        1.52145       -4.06741
C         -1.35749        1.31882       -3.21935
C          1.09322        1.75272       -3.48549
O          1.65628        0.43125       -3.15812
H         -8.34197        3.39695       -0.40295
H         -6.39829        3.73831       -1.92634
H         -4.60664       -2.68472       -1.06946
H         -6.49509       -2.99339        0.53131
H         -9.90234       -1.00035        3.25552
H        -10.33743        0.72523        3.06082
H        -11.11797       -0.51545        2.04695
H         -3.77477        0.73961       -5.53832
H         -1.83488        1.10219       -7.05760
H          0.40479        1.59594       -6.10859
H         -1.23571        1.37253       -2.14048
H          1.05221        2.37339       -2.58754
H          1.77441        2.20072       -4.21299
C         -5.85816        3.50039        2.03055
C         -4.93061        2.36804        1.81221
C         -5.16194        1.13447        2.45371
C         -6.24864        0.96657        3.33594
C         -7.19017        2.08341        3.56645
N         -6.96381        3.26149        2.85212
C         -3.85602        2.51077        0.95132
C         -3.00654        1.42770        0.69201
C         -3.22225        0.20447        1.30328
C         -4.28560        0.04678        2.21496
C         -4.50726       -1.17804        2.87749
C         -5.57865       -1.31865        3.74204
C         -6.45383       -0.24874        3.96440
C         -2.35037       -0.94332        0.98345
N         -2.54288       -2.11203        1.74182
C         -3.56947       -2.30198        2.68823
O         -8.13853        1.99080        4.33352
O         -5.68392        4.59271        1.50893
C         -7.93240        4.34960        3.04255
C         -1.57218       -3.16951        1.60319
O         -1.49171       -0.89691        0.11627
O         -3.65412       -3.34134        3.32060
C         -1.96872       -4.43258        1.18474
C         -1.03050       -5.46262        1.15566
C          0.28863       -5.22253        1.52122
C          0.69107       -3.93775        1.89779
C         -0.24969       -2.91224        1.94929
C          2.10986       -3.66044        2.29793
O          3.05902       -3.74847        1.18460
H         -3.68687        3.46589        0.46431
H         -2.17735        1.53741        0.00079
H         -5.73663       -2.26641        4.24615
H         -7.30072       -0.36498        4.63296
H         -7.71157        4.90003        3.96380
H         -7.86619        5.02784        2.19290
H         -8.93257        3.92135        3.11209
H         -3.00304       -4.61736        0.91223
H         -1.33974       -6.46036        0.85892
H          1.01270       -6.03398        1.51677
H          0.04613       -1.91946        2.27717
H          2.47441       -4.41464        3.00047
H          2.18958       -2.67558        2.76364
Rh         2.01363       -2.39061       -1.68440
C          1.49919       -4.62587       -1.65555
C          2.67604       -4.45381       -2.36034
C          1.16116       -2.46791       -3.84816
C          0.11982       -2.40740       -2.94537
C          0.12689       -4.86067       -2.23995
H          1.60153       -4.86892       -0.60074
C          2.82756       -4.37755       -3.85139
H          3.60827       -4.63136       -1.82252
C          1.65096       -3.69952       -4.57192
H          1.50715       -1.52359       -4.25777
C         -0.67971       -3.56303       -2.41938
H         -0.31051       -1.42619       -2.73763
H         -0.42381       -5.50873       -1.55052
H          0.20906       -5.40738       -3.18155
H          3.74959       -3.82574       -4.06881
H          2.98101       -5.39451       -4.24597
H          1.99176       -3.39178       -5.56591
H          0.82911       -4.40120       -4.72772
H         -1.54128       -3.73630       -3.08163
H         -1.10033       -3.25856       -1.45376
P          2.15206       -0.13293       -1.74360
O          3.68157        0.40113       -1.53356
O          1.29860        0.86409       -0.75035
C          3.91147        1.77063       -1.69723
C          1.78344        1.31406        0.47214
C          4.55413        2.16951       -2.87981
C          3.52606        2.64654       -0.70297
C          2.88831        2.14316        0.53457
C          1.03777        0.94662        1.60478
C          4.81379        3.49878       -3.08241
H          4.84073        1.41236       -3.60260
C          3.71511        4.04757       -0.94625
C          3.37495        2.49704        1.83586
C          1.43023        1.37953        2.84300
H          0.15568        0.33237        1.45998
C          4.39190        4.46563       -2.13818
H          5.32754        3.82829       -3.98180
C          3.21531        5.04901       -0.07629
C          2.61724        2.13570        2.99522
C          4.61491        3.15651        2.02527
H          0.85335        1.11698        3.72627
C          4.59927        5.84733       -2.37232
C          3.41834        6.38268       -0.34251
H          2.65521        4.75815        0.80578
C          3.09268        2.50057        4.27801
C          5.06346        3.47049        3.28685
H          5.22286        3.40111        1.16060
C          4.13067        6.78928       -1.48999
H          5.12610        6.14606       -3.27536
H          3.01854        7.13194        0.33520
C          4.29041        3.15685        4.42456
H          2.49990        2.22738        5.14780
H          6.02525        3.96113        3.40847
H          4.29043        7.84667       -1.68097
H          4.65345        3.42069        5.41389
P          3.33344       -2.55905        0.12827
O          4.89378       -3.00005       -0.14198
O          3.49531       -1.18717        0.99926
C          5.66587       -2.03664       -0.79944
C          4.57367       -0.98742        1.87078
C          5.95265       -2.24281       -2.15752
C          6.12675       -0.95403       -0.07794
C          5.85884       -0.86512        1.37520
C          4.25821       -0.82920        3.23064
C          6.70993       -1.31721       -2.82737
H          5.57815       -3.13758       -2.64502
C          6.83656        0.06366       -0.79267
C          6.92086       -0.68651        2.32381
C          5.25731       -0.57059        4.13052
H          3.22146       -0.88048        3.54405
C          7.15094       -0.14095       -2.17454
H          6.95899       -1.46497       -3.87505
C          7.19415        1.30024       -0.20011
C          6.60606       -0.50999        3.70935
C          8.28810       -0.71610        1.95045
H          5.02340       -0.42324        5.18154
C          7.87174        0.85620       -2.87693
C          7.86747        2.26000       -0.91839
H          6.91940        1.49428        0.83116
C          7.65132       -0.30102        4.64203
C          9.28050       -0.52840        2.88343
H          8.55539       -0.90057        0.91569
C          8.22967        2.03097       -2.26254
H          8.11818        0.67906       -3.92115
H          8.12000        3.20584       -0.44666
C          8.96378       -0.30053        4.23895
H          7.39050       -0.15388        5.68729
H         10.32116       -0.56322        2.57326
H          8.77249        2.79395       -2.81341
H          9.75956       -0.14408        4.96165
175
l_ndi_dimer_rh_cod_19.log
C         -9.03022        1.27011        0.86029
C         -7.89560        1.39569       -0.08185
C         -7.03854        0.29812       -0.30862
C         -7.25052       -0.93450        0.34169
C         -8.36338       -1.07579        1.30416
N         -9.15885        0.05048        1.53054
C         -7.66101        2.60306       -0.71581
C         -6.56605        2.75137       -1.57562
C         -5.71338        1.68786       -1.81386
C         -5.94589        0.43867       -1.20025
C         -5.09665       -0.66463       -1.43217
C         -5.32870       -1.86826       -0.78871
C         -6.39957       -2.00051        0.10423
C         -4.53538        1.87379       -2.68453
N         -3.73378        0.74213       -2.90016
C         -3.95923       -0.53659       -2.36750
O         -8.58981       -2.12286        1.89453
O         -9.81069        2.19045        1.06013
C        -10.24529       -0.09702        2.50864
C         -2.60259        0.90242       -3.78460
O         -4.24999        2.94362       -3.19797
O         -3.24143       -1.47426       -2.67587
C         -2.78459        0.76058       -5.15521
C         -1.69491        0.93154       -6.00246
C         -0.44167        1.23711       -5.47795
C         -0.26909        1.37885       -4.10080
C         -1.36165        1.20884       -3.24840
C          1.08840        1.63806       -3.52433
O          1.65867        0.33105       -3.15530
H         -8.32532        3.44043       -0.52776
H         -6.37087        3.70684       -2.05171
H         -4.66667       -2.70754       -0.97798
H         -6.56784       -2.94020        0.62073
H        -11.06396       -0.68470        2.07972
H         -9.86503       -0.61292        3.39173
H        -10.60714        0.89422        2.77503
H         -3.76940        0.52492       -5.54865
H         -1.82506        0.82620       -7.07543
H          0.40963        1.36828       -6.14121
H         -1.24290        1.30982       -2.17267
H          1.04173        2.28614       -2.64630
H          1.76835        2.06718       -4.26431
C         -5.86177        3.56782        1.92664
C         -4.93748        2.42774        1.73679
C         -5.17398        1.21024        2.40651
C         -6.26365        1.06621        3.28941
C         -7.20210        2.19114        3.49210
N         -6.96978        3.35191        2.75119
C         -3.85979        2.54721        0.87620
C         -3.01181        1.45647        0.64587
C         -3.23189        0.24878        1.28571
C         -4.29933        0.11525        2.19646
C         -4.52569       -1.09272        2.88762
C         -5.59979       -1.21000        3.75228
C         -6.47292       -0.13304        3.94691
C         -2.35739       -0.90635        1.00004
N         -2.55618       -2.05643        1.78500
C         -3.58867       -2.22209        2.72998
O         -8.15202        2.11957        4.25927
O         -5.68275        4.64699        1.37993
C         -7.93211        4.44954        2.91762
C         -1.58516       -3.11770        1.68080
O         -1.49060       -0.87946        0.14014
O         -3.67827       -3.24544        3.38723
C         -1.98087       -4.39145        1.29513
C         -1.04479       -5.42368        1.30291
C          0.27197       -5.17570        1.67152
C          0.67449       -3.88132        2.01335
C         -0.26464       -2.85295        2.02892
C          2.09113       -3.59551        2.41506
O          3.04780       -3.71932        1.31156
H         -3.68636        3.49021        0.36757
H         -2.17993        1.54745       -0.04457
H         -5.76088       -2.14488        4.27896
H         -7.31989       -0.23090        4.61811
H         -8.93407        4.02837        3.00169
H         -7.70445        5.02165        3.82391
H         -7.86616        5.10602        2.05103
H         -3.01335       -4.58201        1.01970
H         -1.35396       -6.42896        1.03273
H          0.99433       -5.98831        1.69613
H          0.03093       -1.85195        2.33105
H          2.44887       -4.32896        3.14262
H          2.17041       -2.59721        2.85124
Rh         2.01013       -2.44685       -1.59892
C          1.50594       -4.68271       -1.51381
C          2.68246       -4.52214       -2.22205
C          1.15837       -2.58326       -3.76108
C          0.11699       -2.50427       -2.85979
C          0.13511       -4.93849       -2.09318
H          1.60884       -4.90024       -0.45347
C          2.83448       -4.48354       -3.71454
H          3.61520       -4.68099       -1.67944
C          1.65539       -3.82997       -4.45344
H          1.50013       -1.64826       -4.19450
C         -0.67747       -3.64940       -2.30416
H         -0.31747       -1.51973       -2.67719
H         -0.41299       -5.57295       -1.38927
H          0.22080       -5.50713       -3.02134
H          3.75402       -3.93319       -3.94574
H          2.99307       -5.50960       -4.08267
H          1.99659       -3.54475       -5.45400
H          0.83757       -4.53950       -4.59407
H         -1.53903       -3.84303       -2.96084
H         -1.09839       -3.32299       -1.34570
P          2.14966       -0.19126       -1.72329
O          3.68044        0.34507       -1.52805
O          1.29792        0.83795       -0.76210
C          3.91395        1.70822       -1.73328
C          1.78301        1.32322        0.44678
C          4.55841        2.06957       -2.92692
C          3.52973        2.61502       -0.76673
C          2.88995        2.15098        0.48498
C          1.03561        0.99223        1.58953
C          4.82194        3.39140       -3.16934
H          4.84415        1.29036       -3.62622
C          3.72336        4.00749       -1.05164
C          3.37739        2.54162        1.77538
C          1.42903        1.46052        2.81451
H          0.15212        0.37620        1.46252
C          4.40221        4.38754       -2.25507
H          5.33734        3.69211       -4.07784
C          3.22683        5.03622       -0.21219
C          2.61854        2.21694        2.94472
C          4.61930        3.20263        1.94541
H          0.85102        1.22605        3.70489
C          4.61458        5.76088       -2.53028
C          3.43507        6.36065       -0.51778
H          2.66514        4.77429        0.67795
C          3.09535        2.61745        4.21635
C          5.06929        3.55132        3.19728
H          5.22794        3.41981        1.07391
C          4.14928        6.73040       -1.67650
H          5.14307        6.03067       -3.44140
H          3.03813        7.13112        0.13747
C          4.29543        3.27353        4.34365
H          2.50194        2.37150        5.09379
H          6.03274        4.04206        3.30456
H          4.31289        7.78105       -1.89883
H          4.65962        3.56454        5.32490
P          3.32739       -2.56279        0.22040
O          4.88701       -3.01550       -0.03360
O          3.49154       -1.16610        1.05063
C          5.66221       -2.07355       -0.71833
C          4.56898       -0.94395        1.91802
C          5.94918       -2.31966       -2.06968
C          6.12499       -0.97140       -0.02840
C          5.85525       -0.83928        1.42114
C          4.25200       -0.74601        3.27234
C          6.70811       -1.41523       -2.76598
H          5.57353       -3.22739       -2.53159
C          6.83741        0.02357       -0.77202
C          6.91640       -0.63653        2.36579
C          5.25062       -0.46405        4.16580
H          3.21471       -0.78517        3.58583
C          7.15120       -0.22138       -2.14748
H          6.95700       -1.59352       -3.80893
C          7.19820        1.27571       -0.21526
C          6.60014       -0.41934        3.74513
C          8.28406       -0.68060        1.99531
H          5.01571       -0.28596        5.21183
C          7.87341        0.75376       -2.87866
C          7.87325        2.21302       -0.96113
H          6.92498        1.49972        0.81025
C          7.64472       -0.18632        4.67290
C          9.27570       -0.46860        2.92386
H          8.55200       -0.89582        0.96668
C          8.23386        1.94499       -2.29846
H          8.11862        0.54632       -3.91756
H          8.12806        3.17141       -0.51672
C          8.95771       -0.20087        4.27176
H          7.38292       -0.00848        5.71313
H         10.31669       -0.51492        2.61631
H          8.77786        2.69085       -2.87121
H          9.75294       -0.02569        4.99077
175
l_ndi_dimer_rh_cod_24.log
C         -8.99423        1.19990        0.90882
C         -7.85345        1.31489       -0.02776
C         -6.99784        0.21353       -0.24106
C         -7.21787       -1.01407        0.41593
C         -8.33935       -1.14633        1.36960
N         -9.13458       -0.01736        1.58152
C         -7.61280        2.51599       -0.67132
C         -6.51366        2.65428       -1.52754
C         -5.66089        1.58760       -1.75075
C         -5.89865        0.34500       -1.12602
C         -5.04757       -0.76020       -1.33984
C         -5.28685       -1.95887       -0.68926
C         -6.36729       -2.08352        0.19306
C         -4.48381        1.76106       -2.62538
N         -3.67104        0.63116       -2.81191
C         -3.89604       -0.63890       -2.25828
O         -8.57295       -2.18862        1.96565
O         -9.77006        2.12558        1.10028
C        -10.22898       -0.15922        2.55152
C         -2.55131        0.77824       -3.71418
O         -4.20993        2.81863       -3.16935
O         -3.16592       -1.57722       -2.53404
C         -2.71270        0.43583       -5.05109
C         -1.64318        0.60116       -5.92558
C         -0.43152        1.10153       -5.45991
C         -0.27535        1.43944       -4.11389
C         -1.34750        1.27490       -3.23484
C          1.06407        1.87538       -3.60243
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H         -8.27735        3.35582       -0.49637
H         -6.31579        3.60453       -2.01284
H         -4.62222       -2.79965       -0.86271
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H         -9.85016       -0.64454        3.45265
H        -10.61179        0.83179        2.78748
H        -11.03085       -0.77377        2.12889
H         -3.66751        0.05191       -5.39904
H         -1.75897        0.34160       -6.97368
H          0.40462        1.22773       -6.14337
H         -1.24661        1.53141       -2.18360
H          0.98455        2.49918       -2.70973
H          1.63905        2.40056       -4.36911
C         -5.82884        3.47817        1.99523
C         -4.90881        2.33565        1.80957
C         -5.15227        1.12342        2.48620
C         -6.24641        0.98838        3.36509
C         -7.18420        2.11686        3.56202
N         -6.93465        3.27797        2.82460
C         -3.83173        2.44536        0.94693
C         -2.99062        1.34858        0.72052
C         -3.21559        0.14685        1.37041
C         -4.28158        0.02398        2.28420
C         -4.51324       -1.17962        2.98126
C         -5.59121       -1.28832        3.84218
C         -6.46222       -0.20767        4.02670
C         -2.35126       -1.01534        1.08838
N         -2.54520       -2.15682        1.88766
C         -3.57699       -2.31169        2.83570
O         -8.13956        2.03966        4.32140
O         -5.65415        4.55559        1.44314
C         -7.86515        4.40638        2.96479
C         -1.56181       -3.20782        1.79981
O         -1.49423       -1.00127        0.21793
O         -3.66582       -3.32708        3.50495
C         -1.93701       -4.50160        1.46135
C         -0.97570       -5.51072        1.47120
C          0.34653       -5.22087        1.78715
C          0.72591       -3.90697        2.07812
C         -0.23846       -2.90346        2.10058
C          2.16088       -3.55599        2.32709
O          2.96257       -3.64844        1.10194
H         -3.65504        3.38449        0.43226
H         -2.16309        1.42919        0.02300
H         -5.75776       -2.21959        4.37356
H         -7.31238       -0.30008        4.69459
H         -8.78896        4.03907        3.40765
H         -7.42989        5.17870        3.60792
H         -8.06003        4.83485        1.98033
H         -2.97006       -4.72274        1.21243
H         -1.26649       -6.52866        1.22942
H          1.09470       -6.00998        1.78606
H          0.04416       -1.88569        2.35471
H          2.63907       -4.26696        3.00617
H          2.24455       -2.55010        2.74426
Rh         2.00502       -2.19279       -1.80023
C          0.81155       -4.07181       -1.47772
C          1.99720       -4.47443       -2.06385
C          1.92881       -2.35171       -4.05416
C          0.61879       -2.18034       -3.65068
C         -0.51390       -3.85291       -2.14666
H          0.76045       -4.12280       -0.39296
C          2.18702       -4.84808       -3.51705
H          2.78108       -4.81878       -1.38902
C          2.57988       -3.65750       -4.41415
H          2.47649       -1.46640       -4.37613
C         -0.41499       -3.27492       -3.56576
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H         -1.07076       -4.80374       -2.15482
H          2.98457       -5.59538       -3.57517
H          1.27959       -5.33167       -3.88801
H          3.66390       -3.51265       -4.36574
H          2.35135       -3.89145       -5.46589
H         -0.19939       -4.05707       -4.29756
H         -1.38718       -2.84620       -3.82633
P          2.25265        0.04918       -1.87966
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O          1.33164        0.99115       -0.89293
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C          1.76659        1.37746        0.37242
C          4.61600        2.45125       -2.83569
C          3.51338        2.80476       -0.67241
C          2.85041        2.22316        0.51609
C          1.00297        0.91937        1.45790
C          4.83846        3.79596       -2.97389
H          4.94523        1.73498       -3.58141
C          3.66921        4.21906       -0.84655
C          3.29595        2.50474        1.84836
C          1.35595        1.27851        2.73129
H          0.14177        0.29339        1.25049
C          4.36365        4.70818       -2.00053
H          5.36340        4.17931       -3.84503
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C          2.51991        2.05033        2.96226
C          4.51348        3.18089        2.11105
H          0.76501        0.94507        3.58086
C          4.53586        6.10432       -2.16794
C          3.29133        6.51475       -0.14652
H          2.54940        4.81909        0.90970
C          2.95422        2.34375        4.27766
C          4.92127        3.42562        3.40151
H          5.13658        3.49724        1.28068
C          4.01827        6.99200       -1.25708
H          5.07616        6.45825       -3.04263
H          2.85566        7.22153        0.55432
C          4.12927        3.02028        4.49656
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H          5.86555        3.93273        3.57934
H          4.15137        8.06098       -1.39724
H          4.46041        3.23025        5.50970
P          3.24403       -2.44223        0.06740
O          4.76861       -2.95259       -0.28946
O          3.51924       -1.09888        0.95543
C          5.56120       -2.01529       -0.95707
C          4.64317       -0.96879        1.78141
C          5.78148       -2.20288       -2.33039
C          6.11046       -0.97750       -0.23258
C          5.91057       -0.90948        1.23205
C          4.39577       -0.80756        3.15531
C          6.55767       -1.30143       -3.01145
H          5.34547       -3.06893       -2.81829
C          6.84233        0.02015       -0.95324
C          7.02107       -0.81106        2.13539
C          5.44613       -0.61925        4.01358
H          3.37160       -0.80129        3.51133
C          7.08678       -0.16541       -2.35186
H          6.75650       -1.43724       -4.07149
C          7.29008        1.22050       -0.34793
C          6.77743       -0.63806        3.53548
C          8.36605       -0.91858        1.70077
H          5.26631       -0.47014        5.07499
C          7.83031        0.80990       -3.06114
C          7.98539        2.16058       -1.07165
H          7.07129        1.40183        0.69928
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C          9.40779       -0.81078        2.59175
H          8.57510       -1.10127        0.65226
C          8.27765        1.94758       -2.43510
H          8.02310        0.64690       -4.11888
H          8.30938        3.07852       -0.58883
C          9.16457       -0.58788        3.96316
H          7.66816       -0.36712        5.48189
H         10.42988       -0.90566        2.23572
H          8.83871        2.69386       -2.99055
H          9.99894       -0.49543        4.65259
175
l_ndi_dimer_rh_cod_4.log
C         -7.63367        2.34914        3.05159
C         -6.42353        2.34842        2.20058
C         -6.52051        2.69942        0.83897
C         -7.75145        3.09606        0.27776
C         -8.96653        3.13741        1.12034
N         -8.81378        2.81703        2.47014
C         -5.20488        1.96572        2.73270
C         -4.05770        1.93725        1.93042
C         -4.13280        2.26221        0.58703
C         -5.36864        2.62896        0.01579
C         -5.48086        2.92797       -1.35813
C         -6.69884        3.31849       -1.88628
C         -7.83021        3.41436       -1.06594
C         -2.90684        2.27759       -0.23711
N         -3.07219        2.54426       -1.60522
C         -4.29765        2.82340       -2.23649
O        -10.06383        3.43404        0.66847
O         -7.61060        1.96312        4.21234
C        -10.02494        2.83891        3.30004
C         -1.88007        2.61658       -2.41818
O         -1.79602        2.08717        0.23170
O         -4.35426        2.98243       -3.44478
C         -1.47605        3.86057       -2.89174
C         -0.34112        3.94044       -3.68796
C          0.38989        2.79244       -3.97873
C         -0.01047        1.55110       -3.48278
C         -1.16761        1.46223       -2.70828
C          0.78042        0.33678       -3.88590
O          0.84015       -0.73373       -2.90050
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H         -8.78320        3.72142       -1.48399
H         -9.73079        2.93266        4.34442
H        -10.64384        3.68551        3.00169
H        -10.59531        1.91308        3.16464
H         -2.04704        4.74938       -2.63957
H         -0.01497        4.90347       -4.06956
H          1.28693        2.86269       -4.58726
H         -1.50147        0.50777       -2.31575
H          1.79893        0.61828       -4.16929
H          0.31310       -0.14749       -4.75085
C         -6.69952       -0.29162       -2.04185
C         -5.44393       -0.82662       -1.47138
C         -5.36979       -1.12804       -0.09574
C         -6.45649       -0.86595        0.76284
C         -7.70271       -0.27887        0.22403
N         -7.74876       -0.04448       -1.15167
C         -4.36292       -1.08140       -2.29686
C         -3.20343       -1.67562       -1.78192
C         -3.11961       -2.00981       -0.44113
C         -4.19819       -1.73307        0.42566
C         -4.13984       -2.05665        1.79763
C         -5.20960       -1.76606        2.62646
C         -6.36640       -1.17012        2.10963
C         -1.93192       -2.72554        0.06552
N         -1.95602       -3.09940        1.41602
C         -2.95831       -2.75665        2.34058
O         -8.66025       -0.02197        0.94325
O         -6.84013       -0.09272       -3.23994
C         -9.02055        0.40645       -1.73557
C         -0.87529       -3.92747        1.89996
O         -0.98088       -3.01791       -0.64554
O         -2.84355       -3.05691        3.51738
C         -1.09396       -5.29113        2.05645
C         -0.06662       -6.09077        2.54888
C          1.16382       -5.52795        2.87656
C          1.37683       -4.15911        2.70719
C          0.34658       -3.35680        2.21786
C          2.69768       -3.53219        3.03616
O          3.63691       -3.53362        1.91049
H         -4.42980       -0.83890       -3.35259
H         -2.37000       -1.90218       -2.43906
H         -5.15145       -2.01915        3.68012
H         -7.20662       -0.95445        2.76172
H         -9.57057       -0.45320       -2.13510
H         -9.61435        0.88636       -0.95930
H         -8.81631        1.10434       -2.54707
H         -2.06130       -5.71633        1.80379
H         -0.23147       -7.15578        2.68261
H          1.96396       -6.15255        3.26619
H          0.50043       -2.28900        2.09938
H          3.22147       -4.09610        3.81120
H          2.55558       -2.50373        3.37797
Rh         2.22777       -3.00606       -1.11012
C          2.16257       -5.20545       -0.62089
C          3.38572       -5.00392       -1.23089
C          2.29656       -3.36732       -3.34970
C          1.06263       -3.80013       -2.89428
C          0.91618       -5.74425       -1.26208
H          2.14715       -5.19784        0.46759
C          3.71927       -5.37629       -2.65852
H          4.24418       -4.85955       -0.57751
C          3.47719       -4.23921       -3.66534
H          2.35239       -2.36896       -3.77944
C          0.67596       -5.24815       -2.69877
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H          0.07011       -5.44638       -0.63593
H          0.95039       -6.84507       -1.23875
H          4.77607       -5.65887       -2.70025
H          3.14803       -6.26690       -2.93636
H          4.36227       -3.59800       -3.71484
H          3.34660       -4.65527       -4.67708
H          1.20715       -5.87398       -3.42194
H         -0.39118       -5.35129       -2.92171
P          1.64395       -0.83690       -1.51544
O          2.97868        0.09525       -1.57054
O          0.60412        0.04682       -0.60267
C          2.95785        1.48829       -1.68916
C          0.96708        0.68405        0.57324
C          3.62713        2.00705       -2.81082
C          2.39627        2.28177       -0.70852
C          1.87329        1.72517        0.55831
C          0.27729        0.28948        1.73125
C          3.68537        3.36089       -2.99673
H          4.10227        1.31629       -3.50037
C          2.33064        3.69443       -0.97236
C          2.26576        2.27263        1.82681
C          0.55580        0.89140        2.92775
H         -0.50508       -0.45660        1.63760
C          3.01143        4.23374       -2.10948
H          4.21758        3.77597       -3.84866
C          1.56717        4.57982       -0.17179
C          1.57578        1.86940        3.01393
C          3.34985        3.17533        1.96132
H          0.00997        0.61240        3.82569
C          2.96323        5.62727       -2.35616
C          1.51695        5.92513       -0.45437
H          0.99623        4.18731        0.66253
C          1.94050        2.43643        4.25905
C          3.70043        3.68478        3.18988
H          3.92210        3.45385        1.08274
C          2.23551        6.46110       -1.54257
H          3.49828        6.01961       -3.21765
H          0.91029        6.58024        0.16477
C          2.97735        3.33257        4.34862
H          1.39351        2.13000        5.14768
H          4.54578        4.36303        3.26817
H          2.19526        7.52758       -1.74544
H          3.25686        3.75420        5.31008
P          3.53612       -2.51043        0.65799
O          5.14906       -2.62063        0.32895
O          3.42429       -1.00784        1.29877
C          5.67490       -1.61181       -0.47673
C          4.45354       -0.48503        2.09318
C          5.98989       -1.93144       -1.80614
C          5.90922       -0.37087        0.08096
C          5.67173       -0.16284        1.52615
C          4.14906       -0.24085        3.44238
C          6.51974       -0.96402       -2.62026
H          5.82277       -2.94601       -2.15252
C          6.37755        0.66944       -0.78290
C          6.70261        0.32598        2.39584
C          5.10147        0.30332        4.26200
H          3.15126       -0.45604        3.80776
C          6.70520        0.35558       -2.14136
H          6.78679       -1.19494       -3.64834
C          6.48838        2.01726       -0.35873
C          6.39948        0.57937        3.77205
C          8.03614        0.52742        1.95906
H          4.87274        0.51414        5.30327
C          7.19260        1.37995       -2.99040
C          6.94158        2.99197       -1.21574
H          6.19982        2.28001        0.65368
C          7.40972        1.08216        4.62796
C          8.99900        0.99874        2.82035
H          8.30343        0.29368        0.93422
C          7.31575        2.67059       -2.53784
H          7.45288        1.12444       -4.01483
H          7.00755        4.02098       -0.87292
C          8.68377        1.29625        4.16258
H          7.15671        1.28164        5.66643
H         10.01604        1.13661        2.46379
H          7.68330        3.44997       -3.19953
H          9.45376        1.67706        4.82755
175
l_ndi_dimer_rh_cod_71.log
C         -0.14961        4.98204        7.25234
C         -0.43414        4.47985        5.89239
C         -1.70074        3.93672        5.59537
C         -2.69912        3.83979        6.58602
C         -2.42567        4.30923        7.96345
N         -1.18020        4.90311        8.18967
C          0.54334        4.54013        4.91466
C          0.27603        4.08079        3.62051
C         -0.96526        3.55941        3.30001
C         -1.96947        3.46649        4.28503
C         -3.23341        2.91307        3.99178
C         -4.19709        2.82603        4.98163
C         -3.93039        3.28937        6.27635
C         -1.24162        3.13335        1.91629
N         -2.51600        2.58971        1.66756
C         -3.52501        2.41287        2.63194
O         -3.24545        4.18924        8.86307
O          0.93447        5.45647        7.56343
C         -0.87192        5.40318        9.53541
C         -2.75961        2.09370        0.33413
O         -0.42088        3.25368        1.01684
O         -4.57774        1.87111        2.33784
C         -3.71965        2.66548       -0.49129
C         -3.86017        2.17088       -1.78689
C         -3.02819        1.15642       -2.25855
C         -2.06291        0.60273       -1.41852
C         -1.95739        1.05807       -0.11040
C         -1.09872       -0.44662       -1.89602
O          0.19230       -0.29711       -1.22083
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H         -4.68973        3.21641        7.04803
H         -0.12201        4.76468       10.01367
H         -0.47361        6.41756        9.46240
H         -1.78759        5.39944       10.12384
H         -4.33742        3.48449       -0.13574
H         -4.60566        2.60609       -2.44606
H         -3.11449        0.81520       -3.28764
H         -1.20902        0.64479        0.55223
H         -0.97174       -0.41724       -2.98202
H         -1.42470       -1.44752       -1.60161
C         -4.21341       -3.75631       -6.77604
C         -3.55256       -3.86596       -5.45799
C         -2.47332       -4.75758       -5.28789
C         -2.02760       -5.57052       -6.34989
C         -2.68106       -5.48572       -7.67587
N         -3.72346       -4.56219       -7.80460
C         -3.98261       -3.08364       -4.40105
C         -3.35449       -3.17246       -3.15258
C         -2.27916       -4.02449       -2.96838
C         -1.81263       -4.82018       -4.03556
C         -0.69444       -5.66695       -3.88424
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C         -0.95354       -6.42345       -6.16552
C         -1.61866       -4.10217       -1.65189
N         -0.44491       -4.86145       -1.58363
C          0.07015       -5.65943       -2.61960
O         -2.32223       -6.17699       -8.61852
O         -5.14644       -2.99258       -6.98119
C         -4.38567       -4.42047       -9.10870
C          0.28095       -4.84126       -0.33357
O         -2.04546       -3.52449       -0.66135
O          1.10144       -6.29192       -2.46225
C          0.15915       -5.90954        0.54486
C          0.86355       -5.87169        1.74399
C          1.66502       -4.77751        2.05231
C          1.77832       -3.70839        1.16138
C          1.07934       -3.74288       -0.04351
C          2.69551       -2.57503        1.52174
O          2.31093       -1.33617        0.84818
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H         -3.70450       -2.56759       -2.32195
H          0.58370       -7.10715       -4.81017
H         -0.62080       -7.04564       -6.98989
H         -5.43123       -4.73276       -9.03238
H         -4.35186       -3.37457       -9.42377
H         -3.86323       -5.04676       -9.82927
H         -0.47810       -6.75203        0.29247
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H          1.13330       -2.91383       -0.74262
H          3.71623       -2.78153        1.17900
H          2.71876       -2.43269        2.60432
Rh         2.38513        1.82866        0.19849
C          2.47454        3.86807       -0.75529
C          3.50368        3.15001       -1.33101
C          4.38435        2.01293        1.18329
C          3.54107        2.95774        1.75828
C          2.60010        4.86634        0.35986
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C          4.96319        3.27717       -0.96166
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H          5.60902        1.29783       -0.37756
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C          1.48562       -2.72352       -4.56144
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C          1.98715        2.26219       -5.87289
C          1.21382        4.40148       -4.94073
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C          3.25272        2.26137       -7.94662
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O          0.35857        0.04413        1.97689
C          2.20098        0.36959        4.18342
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C          3.04850        1.25439        4.87596
C          1.00444       -0.08317        4.71028
C          0.22837       -1.15395        4.04953
C         -0.95880       -1.95053        2.05603
C          2.66798        1.74212        6.09875
H          4.00617        1.51520        4.43611
C          0.54705        0.51307        5.93273
C         -0.18327       -2.34062        4.74222
C         -1.44746       -3.02986        2.74349
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C          1.40806        1.40490        6.64721
H          3.32540        2.40758        6.65216
C         -0.74862        0.27204        6.45542
C         -1.05232       -3.26811        4.08160
C          0.27542       -2.66245        6.04397
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C          0.97757        1.94777        7.88238
C         -1.14453        0.83157        7.64768
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C         -0.13307       -3.81578        6.67123
H          0.97170       -1.99810        6.54469
C         -0.26851        1.65708        8.38220
H          1.65069        2.61049        8.42064
H         -2.14510        0.63934        8.02545
C         -1.02543       -4.70506        6.03644
H         -2.13627       -5.12578        4.25239
H          0.24158       -4.04803        7.66426
H         -0.59106        2.07889        9.33024
H         -1.34469       -5.60794        6.54928
98
l_ndi_rh_cod_1.log
C         -6.21556        2.96128        1.00183
C         -5.14755        1.99897        0.63833
C         -5.40618        0.97094       -0.29159
C         -6.67636        0.83460       -0.88734
C         -7.76134        1.77475       -0.52887
N         -7.45964        2.77816        0.39317
C         -3.89657        2.11050        1.21964
C         -2.88013        1.20569        0.89443
C         -3.11024        0.19205       -0.02396
C         -4.37549        0.06137       -0.63415
C         -4.63696       -0.96005       -1.56934
C         -5.89168       -1.07120       -2.14620
C         -6.91162       -0.17670       -1.80189
C         -2.04959       -0.76219       -0.34791
N         -2.32496       -1.75251       -1.27764
C         -3.57025       -1.89679       -1.95342
O         -8.88221        1.69409       -1.00959
O         -6.01877        3.86878        1.79637
C         -8.55464        3.70068        0.72644
C         -1.26333       -2.65478       -1.64061
O         -0.93913       -0.66432        0.20359
O         -3.70133       -2.75452       -2.80482
C         -1.40296       -4.02662       -1.45206
C         -0.33291       -4.85759       -1.76357
C          0.87738       -4.32012       -2.19800
C          1.00639       -2.94500       -2.38043
C         -0.08885       -2.11418       -2.14127
C          2.32885       -2.30553       -2.67037
O          2.98998       -1.90034       -1.42050
H         -3.70972        2.90422        1.93521
H         -1.90508        1.29533        1.36180
H         -6.07917       -1.85964       -2.86773
H         -7.89451       -0.26983       -2.25192
H         -8.87381        4.23611       -0.17209
H         -9.40315        3.13624        1.12146
H         -8.19468        4.40698        1.47200
H         -2.33017       -4.43532       -1.06354
H         -0.43429       -5.93073       -1.63250
H          1.72830       -4.97057       -2.38347
H         -0.01782       -1.04512       -2.32242
H          2.22331       -1.41630       -3.30040
H          3.03085       -3.00279       -3.13120
Rh         0.64644       -1.85614        1.02441
C          2.06040       -2.48051        2.50691
C          1.89621       -3.49150        1.52952
C         -0.88894       -3.16913        2.05340
C         -0.72954       -2.01812        2.79919
C          1.48590       -2.55767        3.91212
H          2.94900       -1.85982        2.41895
C          1.07080       -4.74080        1.69216
H          2.69082       -3.59510        0.78721
C         -0.28496       -4.51300        2.38906
H         -1.69042       -3.17452        1.31413
C          0.12301       -1.86009        4.02782
H         -1.42920       -1.20268        2.61262
H          2.18606       -2.07581        4.60181
H          1.41889       -3.60545        4.22020
H          0.89461       -5.14986        0.69190
H          1.65819       -5.49781        2.23522
H         -0.98005       -5.29455        2.06477
H         -0.18844       -4.61092        3.47377
H         -0.42675       -2.22560        4.90885
H          0.27972       -0.78722        4.18440
P          2.27815       -0.99703       -0.28796
O          1.95293        0.35687       -1.17466
O          3.58439       -0.54653        0.57357
C          1.92335        1.57633       -0.49273
C          4.60627        0.16295       -0.07362
C          0.67456        2.19218       -0.30984
C          3.11461        2.14251       -0.07815
C          4.39909        1.48470       -0.41016
C          5.81257       -0.51784       -0.29772
C          0.60913        3.39243        0.34894
H         -0.21321        1.70762       -0.70167
C          3.04738        3.35245        0.68462
C          5.44468        2.15865       -1.12165
C          6.84535        0.14350       -0.90887
H          5.90271       -1.55186        0.02013
C          1.77819        3.98698        0.88166
H         -0.34710        3.89048        0.48816
C          4.18894        3.93032        1.29451
C          6.68511        1.47931       -1.35029
C          5.28679        3.46245       -1.65415
H          7.79223       -0.36034       -1.08433
C          1.71232        5.19179        1.62386
C          4.08727        5.09208        2.02242
H          5.15216        3.44126        1.19327
C          7.72602        2.14711       -2.04100
C          6.31235        4.07588       -2.33417
H          4.34011        3.97838       -1.53340
C          2.84315        5.73881        2.17856
H          0.74374        5.66810        1.75505
H          4.97384        5.51331        2.48816
C          7.54877        3.42239       -2.51837
H          8.66497        1.62146       -2.19644
H          6.16628        5.07312       -2.73994
H          2.78159        6.66046        2.75023
H          8.35134        3.92417       -3.05134
98
l_ndi_rh_cod_10.log
C         -5.84810        3.35059       -0.30112
C         -4.84254        2.27563       -0.12570
C         -5.12593        1.16778        0.69885
C         -6.36266        1.05752        1.36612
C         -7.38359        2.11646        1.20195
N         -7.06253        3.19031        0.37051
C         -3.62301        2.36471       -0.77327
C         -2.66292        1.35864       -0.62113
C         -2.91839        0.26162        0.18804
C         -4.15174        0.15205        0.86388
C         -4.43591       -0.94789        1.69724
C         -5.65834       -1.03509        2.34368
C         -6.62216       -0.03428        2.17550
C         -1.91650       -0.79646        0.33320
N         -2.20255       -1.85490        1.18303
C         -3.42065       -1.98988        1.91204
O         -8.46841        2.07207        1.76322
O         -5.62756        4.32880       -0.99977
C         -8.09613        4.22499        0.22254
C         -1.17154       -2.82757        1.43924
O         -0.84721       -0.71570       -0.29645
O         -3.56792       -2.92214        2.67776
C         -1.38581       -4.18424        1.20965
C         -0.35062       -5.07551        1.46496
C          0.90294       -4.61446        1.86846
C          1.10970       -3.25572        2.08955
C          0.04383       -2.36779        1.92463
C          2.46393       -2.69512        2.40579
O          3.11100       -2.06086        1.24223
H         -3.41610        3.22357       -1.40289
H         -1.71111        1.43856       -1.13539
H         -5.86270       -1.88586        2.98537
H         -7.57860       -0.10679        2.68271
H         -9.02017        3.76946       -0.14209
H         -8.29180        4.69578        1.19015
H         -7.73867        4.96853       -0.48705
H         -2.34283       -4.53473        0.83776
H         -0.51164       -6.13810        1.30998
H          1.72362       -5.31431        2.00270
H          0.16090       -1.31503        2.16429
H          3.16238       -3.47757        2.70726
H          2.40560       -1.93555        3.19223
Rh         0.64570       -2.00527       -1.11956
C          1.67450       -3.79637       -1.60070
C          2.09494       -2.79359       -2.50069
C         -0.54556       -1.87760       -2.98458
C         -0.96059       -3.02270       -2.32266
C          0.70173       -4.89836       -1.92755
H          2.34904       -4.03164       -0.77443
C          1.65058       -2.71324       -3.95190
H          3.06746       -2.35301       -2.29573
C          0.41774       -1.81482       -4.13886
H         -1.12297       -0.96762       -2.81513
C         -0.54645       -4.42687       -2.69950
H         -1.82993       -2.93306       -1.66984
H          0.39011       -5.35872       -0.98617
H          1.22969       -5.68245       -2.49291
H          2.47384       -2.30933       -4.55009
H          1.46115       -3.72371       -4.32775
H          0.74413       -0.77377       -4.23785
H         -0.10820       -2.06627       -5.07306
H         -0.38201       -4.48331       -3.77951
H         -1.37456       -5.10688       -2.47492
P          2.30958       -1.15533        0.17273
O          3.67247       -0.60176       -0.56137
O          1.78211        0.17975        0.97140
C          3.52610        0.57888       -1.30123
C          2.70693        1.01411        1.60918
C          3.53225        0.48566       -2.70299
C          3.43653        1.78201       -0.62706
C          3.54198        1.80682        0.84854
C          2.68478        1.04077        3.01294
C          3.39822        1.62592       -3.45225
H          3.65982       -0.48241       -3.17400
C          3.21266        2.96745       -1.39865
C          4.51054        2.60728        1.53581
C          3.55545        1.86317        3.67948
H          1.97037        0.41872        3.54336
C          3.21018        2.88173       -2.82819
H          3.41415        1.57180       -4.53763
C          2.94626        4.22523       -0.80179
C          4.49692        2.64492        2.96762
C          5.51750        3.33605        0.85507
H          3.54566        1.90782        4.76532
C          3.00225        4.05481       -3.59478
C          2.73177        5.34149       -1.57520
H          2.90017        4.30361        0.27932
C          5.44200        3.44952        3.65036
C          6.43013        4.09469        1.54927
H          5.57483        3.28373       -0.22709
C          2.77385        5.26278       -2.98333
H          3.01635        3.97504       -4.67903
H          2.52172        6.29397       -1.09655
C          6.38607        4.16679        2.95751
H          5.41118        3.47668        4.73682
H          7.19832        4.63923        1.00729
H          2.61085        6.15623       -3.57926
H          7.10982        4.77720        3.49002
98
l_ndi_rh_cod_11.log
C         -5.91565        3.30474       -0.23085
C         -4.89537        2.23911       -0.08684
C         -5.17453        1.08939        0.67970
C         -6.42028        0.92876        1.31946
C         -7.45606        1.97737        1.18536
N         -7.13838        3.09416        0.41122
C         -3.66652        2.37764       -0.70754
C         -2.69293        1.38063       -0.58564
C         -2.94441        0.24227        0.16558
C         -4.18702        0.08202        0.81378
C         -4.46775       -1.06097        1.58810
C         -5.69862       -1.19671        2.20964
C         -6.67518       -0.20355        2.07263
C         -1.92997       -0.80797        0.27378
N         -2.21689       -1.91455        1.05909
C         -3.44220       -2.09994        1.76463
O         -8.54999        1.88924        1.72350
O         -5.69967        4.31763       -0.87978
C         -8.18594        4.11885        0.29439
C         -1.18490       -2.89831        1.26429
O         -0.85056       -0.67934       -0.33038
O         -3.58775       -3.07159        2.48005
C         -1.39597       -4.23829        0.94957
C         -0.36124       -5.14305        1.15401
C          0.88893       -4.70702        1.59346
C          1.09275       -3.36435        1.89966
C          0.02736       -2.46807        1.78347
C          2.44434       -2.82330        2.25764
O          3.10171       -2.12985        1.13462
H         -3.46316        3.26823       -1.29273
H         -1.73414        1.49893       -1.07910
H         -5.90013       -2.08039        2.80624
H         -7.63851       -0.31440        2.55956
H         -9.09209        3.67114       -0.12162
H         -8.41540        4.52899        1.28191
H         -7.82264        4.90797       -0.36096
H         -2.35038       -4.56565        0.55076
H         -0.51992       -6.19399        0.93165
H          1.70952       -5.41327        1.68965
H          0.14274       -1.43157        2.08714
H          3.14006       -3.62085        2.52380
H          2.37841       -2.10617        3.08216
Rh         0.65295       -1.89928       -1.23223
C         -0.52356       -1.64529       -3.09414
C         -0.94712       -2.83082       -2.51436
C          1.67932       -3.65854       -1.82095
C          2.11019       -2.60054       -2.65059
C          0.45039       -1.50881       -4.23352
H         -1.10011       -0.74671       -2.86925
C         -0.53184       -4.20757       -2.98018
H         -1.82047       -2.78398       -1.86249
C          0.70342       -4.73228       -2.22246
H          2.34626       -3.94976       -1.00641
C          1.67849       -2.42252       -4.09699
H          3.08244       -2.17786       -2.40966
H          0.78154       -0.46478       -4.25835
H         -0.06820       -1.69362       -5.18722
H         -1.36466       -4.89837       -2.81332
H         -0.35173       -4.19106       -4.05882
H          0.37628       -5.24131       -1.31173
H          1.23217       -5.48796       -2.82458
H          1.49061       -3.40490       -4.54174
H          2.50818       -1.98238       -4.65972
P          2.31199       -1.14786        0.12483
O          3.68221       -0.55975       -0.56647
O          1.79120        0.13450        1.01030
C          3.55701        0.67466       -1.21692
C          2.72186        0.90732        1.71457
C          3.56923        0.68675       -2.62196
C          3.48251        1.82465       -0.45449
C          3.57733        1.73744        1.01936
C          2.68602        0.83596        3.11653
C          3.45885        1.88264       -3.28331
H          3.68294       -0.24520       -3.16418
C          3.28442        3.06878       -1.13510
C          4.55518        2.46700        1.76971
C          3.56599        1.59155        3.84698
H          1.95398        0.19351        3.59617
C          3.29001        3.09125       -2.56696
H          3.48015        1.91066       -4.36958
C          3.03684        4.28223       -0.44556
C          4.53002        2.40172        3.20028
C          5.58223        3.22227        1.15054
H          3.54589        1.55982        4.93312
C          3.10943        4.32302       -3.24325
C          2.84872        5.45784       -1.13299
H          2.98403        4.27870        0.63806
C          5.48572        3.13473        3.94598
C          6.50464        3.90901        1.90403
H          5.64689        3.24774        0.06781
C          2.89953        5.48529       -2.54281
H          3.12924        4.32576       -4.33031
H          2.65267        6.37509       -0.58471
C          6.45057        3.87959        3.31349
H          5.44608        3.08440        5.03136
H          7.28813        4.47527        1.40820
H          2.75722        6.42427       -3.07018
H          7.18241        4.43421        3.89384
98
l_ndi_rh_cod_12.log
C         -5.85730        3.33532       -0.26537
C         -4.84613        2.26696       -0.10342
C         -5.12763        1.15345        0.71375
C         -6.36445        1.03674        1.38020
C         -7.39414        2.09269        1.22941
N         -7.06752        3.17674        0.40940
C         -3.62774        2.36437       -0.75153
C         -2.66517        1.35962       -0.60649
C         -2.91809        0.25627        0.19506
C         -4.15115        0.13859        0.87048
C         -4.43229       -0.96805        1.69564
C         -5.65423       -1.06229        2.34172
C         -6.62020       -0.06232        2.18124
C         -1.91366       -0.80032        0.33245
N         -2.19754       -1.86644        1.17355
C         -3.41504       -2.00986        1.90173
O         -8.47517        2.02216        1.79442
O         -5.65903        4.32320       -0.95776
C         -8.05377        4.25191        0.23050
C         -1.16532       -2.84045        1.41995
O         -0.84391       -0.71198       -0.29548
O         -3.56043       -2.94854        2.65990
C         -1.37925       -4.19517        1.17885
C         -0.34328       -5.08824        1.42460
C          0.91064       -4.63013        1.83018
C          1.11705       -3.27327        2.06293
C          0.05061       -2.38430        1.90745
C          2.47153       -2.71479        2.38152
O          3.11714       -2.07389        1.22082
H         -3.42378        3.22834       -1.37523
H         -1.71355        1.44525       -1.12021
H         -5.85691       -1.91808        2.97725
H         -7.57594       -0.14144        2.68866
H         -7.63570        5.19851        0.58337
H         -8.30472        4.34929       -0.82913
H         -8.94427        4.00043        0.80339
H         -2.33664       -4.54284        0.80528
H         -0.50409       -6.14950        1.26047
H          1.73186       -5.33072        1.95713
H          0.16770       -1.33356        2.15598
H          3.17043       -3.49888        2.67761
H          2.41387       -1.95994        3.17251
Rh         0.64685       -1.99171       -1.13589
C          1.67044       -3.78032       -1.63627
C          2.09236       -2.76980       -2.52687
C         -0.54675       -1.84228       -2.99784
C         -0.96378       -2.99328       -2.34752
C          0.69384       -4.87626       -1.97138
H          2.34534       -4.02507       -0.81304
C          1.64626       -2.67329       -3.97658
H          3.06639       -2.33409       -2.31867
C          0.41570       -1.76954       -4.15231
H         -1.12191       -0.93277       -2.81831
C         -0.55302       -4.39442       -2.73894
H         -1.83215       -2.90877       -1.69271
H          0.38080       -5.34230       -1.03325
H          1.21869       -5.65801       -2.54285
H          2.46976       -2.26538       -4.57174
H          1.45367       -3.67930       -4.36263
H          0.74499       -0.72836       -4.23992
H         -0.11188       -2.00892       -5.08878
H         -0.38862       -4.44031       -3.81944
H         -1.38269       -5.07478       -2.52124
P          2.31480       -1.15736        0.16123
O          3.67726       -0.59968       -0.57056
O          1.79130        0.17108        0.97327
C          3.53227        0.58788       -1.29930
C          2.71871        0.99827        1.61668
C          3.53629        0.50754       -2.70190
C          3.44628        1.78491       -0.61395
C          3.55405        1.79610        0.86167
C          2.69864        1.01307        3.02070
C          3.40393        1.65494       -3.44045
H          3.66090       -0.45649       -3.18190
C          3.22421        2.97796       -1.37429
C          4.52539        2.58845        1.55450
C          3.57184        1.82800        3.69305
H          1.98368        0.38800        3.54684
C          3.21978        2.90541       -2.80458
H          3.41834        1.61080       -4.52630
C          2.96161        4.23084       -0.76560
C          4.51396        2.61380        2.98657
C          5.53315        3.32065        0.87861
H          3.56352        1.86344        4.77924
C          3.01391        4.08602       -3.56013
C          2.74905        5.35470       -1.52847
H          2.91688        4.29943        0.31624
C          5.46183        3.41042        3.67482
C          6.44857        4.07117        1.57795
H          5.58891        3.27746       -0.20404
C          2.78931        5.28890       -2.93732
H          3.02649        4.01611       -4.64508
H          2.54190        6.30324       -1.04079
C          6.40661        4.13139        2.98681
H          5.43257        3.42835        4.76152
H          7.21730        4.61845        1.03951
H          2.62788        6.18820       -3.52483
H          7.13252        4.73553        3.52352
98
l_ndi_rh_cod_13.log
C         -5.90409        3.31615       -0.33174
C         -4.88887        2.24883       -0.16533
C         -5.17815        1.11079        0.61483
C         -6.42979        0.96291        1.24604
C         -7.46048        2.01352        1.08998
N         -7.13252        3.11879        0.30363
C         -3.65462        2.37460       -0.77790
C         -2.68530        1.37625       -0.63402
C         -2.94658        0.24959        0.13136
C         -4.19510        0.10227        0.77122
C         -4.48591       -1.02870        1.55930
C         -5.72280       -1.15239        2.17134
C         -6.69508       -0.15837        2.01201
C         -1.93618       -0.80195        0.26350
N         -2.23260       -1.89571        1.06367
C         -3.46432       -2.06702        1.76142
O         -8.55933        1.93603        1.61959
O         -5.67969        4.31883       -0.99353
C         -8.17565        4.14515        0.16418
C         -1.20368       -2.87646        1.29619
O         -0.85150       -0.68564       -0.33352
O         -3.61836       -3.02635        2.49153
C         -1.41325       -4.22210        1.00505
C         -0.38190       -5.12389        1.23733
C          0.86460       -4.68076        1.68053
C          1.06703       -3.33279        1.96315
C          0.00381       -2.43787        1.81929
C          2.41545       -2.78653        2.32563
O          3.08377       -2.10807        1.19985
H         -3.44343        3.25623       -1.37375
H         -1.72211        1.48476       -1.12115
H         -5.93229       -2.02707        2.77834
H         -7.66301       -0.25970        2.49182
H         -9.08031        3.69436       -0.25170
H         -8.41089        4.57044        1.14391
H         -7.80501        4.92344       -0.49996
H         -2.36407       -4.55594        0.60307
H         -0.53967       -6.17873        1.03361
H          1.68355       -5.38571        1.79783
H          0.11706       -1.39623        2.10540
H          3.10819       -3.58061        2.60930
H          2.34219       -2.05833        3.13986
Rh         0.66042       -1.92570       -1.19467
C         -0.50072       -1.71023       -3.07229
C         -0.92565       -2.88604       -2.47417
C          1.69741       -3.69247       -1.74166
C          2.13224       -2.64875       -2.58711
C          0.48397       -1.59037       -4.20406
H         -1.08220       -0.80972       -2.86909
C         -0.50219       -4.27047       -2.90886
H         -1.80526       -2.82912       -1.83157
C          0.72821       -4.77664       -2.13087
H          2.35875       -3.96640       -0.91662
C          1.71259       -2.49880       -4.04026
H          3.10117       -2.21877       -2.34573
H          0.81325       -0.54613       -4.24269
H         -0.02463       -1.79194       -5.15974
H         -1.33442       -4.96030       -2.73526
H         -0.31298       -4.27517       -3.98608
H          0.39532       -5.26951       -1.21340
H          1.26450       -5.54178       -2.71409
H          1.52990       -3.48969       -4.46785
H          2.54613       -2.06759       -4.60420
P          2.30365       -1.14579        0.16439
O          3.68036       -0.56623       -0.52154
O          1.77031        0.15081        1.02073
C          3.55770        0.65489       -1.19693
C          2.69089        0.93988        1.71994
C          3.58500        0.63978       -2.60170
C          3.47044        1.81942       -0.45809
C          3.54977        1.76107        1.01832
C          2.64119        0.89371        3.12257
C          3.47699        1.82180       -3.28771
H          3.70798       -0.30222       -3.12416
C          3.27458        3.04903       -1.16517
C          4.51588        2.50960        1.76514
C          3.50940        1.66744        3.84800
H          1.90777        0.25578        3.60615
C          3.29544        3.04347       -2.59713
H          3.50987        1.82843       -4.37402
C          3.01411        4.27473       -0.50250
C          4.47556        2.47116        3.19640
C          5.54567        3.25865        1.14295
H          3.47838        1.65552        4.93429
C          3.11677        4.26079       -3.29956
C          2.82827        5.43569       -1.21509
H          2.94966        4.29242        0.58032
C          5.41873        3.22392        3.93838
C          6.45571        3.96514        1.89328
H          5.62245        3.26371        0.06073
C          2.89417        5.43564       -2.62456
H          3.14828        4.24197       -4.38617
H          2.62231        6.36261       -0.68706
C          6.38608        3.96248        3.30236
H          5.36746        3.19385        5.02402
H          7.24146        4.52635        1.39530
H          2.75340        6.36336       -3.17185
H          7.10814        4.53253        3.87999
98
l_ndi_rh_cod_14.log
C         -5.83901        3.36235       -0.41348
C         -4.84077        2.28430       -0.21555
C         -5.13325        1.19381        0.62883
C         -6.37289        1.10313        1.29349
C         -7.38667        2.16516        1.10689
N         -7.05518        3.22365        0.25991
C         -3.61897        2.35363       -0.86125
C         -2.66525        1.34494       -0.68676
C         -2.92922        0.26571        0.14331
C         -4.16527        0.17626        0.81715
C         -4.45830       -0.90548        1.67102
C         -5.68391       -0.97417        2.31363
C         -6.64184        0.02806        2.12204
C         -1.93244       -0.79353        0.31494
N         -2.22521       -1.83069        1.18881
C         -3.44763       -1.94575        1.91402
O         -8.47466        2.13598        1.66295
O         -5.61114        4.32490       -1.13123
C         -8.08148        4.26238        0.09151
C         -1.19561       -2.79480        1.47981
O         -0.86135       -0.73198       -0.31358
O         -3.60164       -2.85962        2.70033
C         -1.40544       -4.15765        1.28531
C         -0.37190       -5.03948        1.57719
C          0.87634       -4.56522        1.98226
C          1.07875       -3.20065        2.16784
C          0.01344       -2.31966        1.96599
C          2.42796       -2.62935        2.48640
O          3.08451       -2.01225        1.31900
H         -3.40487        3.19893       -1.50660
H         -1.71149        1.40935       -1.19963
H         -5.89512       -1.81098        2.97125
H         -7.60066       -0.02949        2.62665
H         -9.00394        3.80917       -0.28027
H         -8.28557        4.74144        1.05320
H         -7.71210        4.99841       -0.61982
H         -2.35784       -4.51994        0.91290
H         -0.52951       -6.10627        1.45007
H          1.69652       -5.25954        2.14512
H          0.12561       -1.26066        2.17867
H          3.12570       -3.40441        2.80801
H          2.36038       -1.85649        3.25917
Rh         0.65003       -2.04338       -1.07256
C          1.70345       -3.83780       -1.48559
C          2.12358       -2.85834       -2.41120
C         -0.51958       -1.98709       -2.95445
C         -0.93062       -3.11459       -2.26054
C          0.74804       -4.96074       -1.79303
H          2.37055       -4.04099       -0.64494
C          1.69584       -2.82971       -3.86930
H          3.08856       -2.39984       -2.21004
C          0.45561       -1.95195       -4.09984
H         -1.10816       -1.07836       -2.82104
C         -0.49856       -4.52567       -2.58867
H         -1.80847       -3.01230       -1.62118
H          0.43388       -5.40257       -0.84371
H          1.29206       -5.75113       -2.33390
H          2.52186       -2.43617       -4.47056
H          1.52187       -3.85391       -4.21441
H          0.77157       -0.91117       -4.23062
H         -0.05701       -2.24098       -5.03054
H         -0.32421       -4.61358       -3.66507
H         -1.32168       -5.20695       -2.35004
P          2.29099       -1.14283        0.21474
O          3.66043       -0.60103       -0.51668
O          1.74525        0.21140        0.96822
C          3.51789        0.55947       -1.28843
C          2.65812        1.06472        1.59791
C          3.54136        0.43061       -2.68717
C          3.41459        1.77910       -0.64652
C          3.50091        1.84138        0.82930
C          2.61769        1.12493        3.00017
C          3.41140        1.55084       -3.46681
H          3.67881       -0.54863       -3.13167
C          3.19543        2.94343       -1.45053
C          4.45756        2.66179        1.50918
C          3.47723        1.96601        3.65782
H          1.89840        0.51316        3.53594
C          3.21070        2.82132       -2.87739
H          3.44049        1.46939       -4.55023
C          2.91697        4.21479       -0.88892
C          4.42530        2.73380        2.93946
C          5.47037        3.37807        0.82387
H          3.45356        2.03663        4.74208
C          3.00763        3.97371       -3.67589
C          2.70775        5.31019       -1.69301
H          2.85751        4.32032        0.18923
C          5.35884        3.55800        3.61459
C          6.37131        4.15668        1.51124
H          5.54163        3.30012       -0.25594
C          2.76733        5.19585       -3.09802
H          3.03537        3.86664       -4.75754
H          2.48850        6.27371       -1.24133
C          6.30917        4.26200        2.91668
H          5.31415        3.61108        4.69961
H          7.14430        4.69120        0.96612
H          2.60838        6.07322       -3.71845
H          7.02400        4.88768        3.44352
98
l_ndi_rh_cod_15.log
C         -5.88738        3.32129       -0.44070
C         -4.87588        2.25653       -0.25834
C         -5.17857        1.13054        0.53384
C         -6.43668        0.99800        1.15600
C         -7.46662        2.05047        0.98464
N         -7.11812        3.14808        0.19205
C         -3.63661        2.36938       -0.86280
C         -2.67339        1.36836       -0.69764
C         -2.94699        0.25311        0.08021
C         -4.20182        0.11930        0.71102
C         -4.50450       -0.99995        1.51118
C         -5.74734       -1.10982        2.11335
C         -6.71319       -0.11320        1.93293
C         -1.94189       -0.80006        0.23729
N         -2.24950       -1.88095        1.05102
C         -3.48892       -2.03901        1.73788
O         -8.56645        1.96573        1.51018
O         -5.67247        4.31834       -1.11485
C         -8.10354        4.22084       -0.00512
C         -1.22409       -2.85779        1.31378
O         -0.85077       -0.69662       -0.35064
O         -3.65394       -2.98745        2.47979
C         -1.43089       -4.20852        1.04447
C         -0.40408       -5.10647        1.30906
C          0.83614       -4.65598        1.76264
C          1.03586       -3.30334        2.02334
C         -0.02428       -2.41047        1.84700
C          2.37913       -2.75191        2.39785
O          3.06046       -2.08114        1.27554
H         -3.41662        3.24258       -1.46795
H         -1.70524        1.46599       -1.17720
H         -5.96664       -1.97532        2.72994
H         -7.68535       -0.20430        2.40603
H         -7.69947        5.16561        0.36825
H         -8.32491        4.32726       -1.07050
H         -9.00884        3.96035        0.53987
H         -2.37610       -4.54902        0.63496
H         -0.55976       -6.16482        1.12264
H          1.65258       -5.35923        1.90498
H          0.08512       -1.36408        2.11665
H          3.06862       -3.54335        2.69652
H          2.29554       -2.01718        3.20528
Rh         0.67558       -1.95704       -1.15747
C         -0.46191       -1.78953       -3.05673
C         -0.88561       -2.95583       -2.43996
C          1.73418       -3.72621       -1.65516
C          2.17190       -2.69596       -2.51519
C          0.53828       -1.68398       -4.17612
H         -1.05303       -0.88990       -2.87958
C         -0.44533       -4.34575       -2.83896
H         -1.77437       -2.89189       -1.81076
C          0.77962       -4.82622       -2.03629
H          2.38714       -3.97827       -0.81655
C          1.77121       -2.57917       -3.97664
H          3.13384       -2.25315       -2.26937
H          0.86007       -0.63810       -4.23070
H          0.04556       -1.90843       -5.13501
H         -1.27442       -5.03826       -2.66091
H         -0.24281       -4.37222       -3.91350
H          0.44020       -5.30593       -1.11429
H          1.33016       -5.59667       -2.59889
H          1.60180       -3.57994       -4.38633
H          2.60931       -2.15316       -4.53785
P          2.29271       -1.14210        0.21018
O          3.67848       -0.56887       -0.46316
O          1.74056        0.16782        1.03293
C          3.56183        0.64000       -1.16168
C          2.64611        0.97210        1.73425
C          3.61271        0.59989       -2.56527
C          3.45787        1.81713       -0.44529
C          3.51276        1.78559        1.03293
C          2.57388        0.94811        3.13642
C          3.51144        1.76887       -3.27428
H          3.74838       -0.35060       -3.06887
C          3.26925        3.03304       -1.17784
C          4.46238        2.55181        1.78297
C          3.42620        1.73839        3.86286
H          1.83618        0.31363        3.61805
C          3.31359        3.00187       -2.60895
H          3.56260        1.75602       -4.35983
C          2.99320        4.26951       -0.54216
C          4.39833        2.53690        3.21377
C          5.49838        3.29610        1.16556
H          3.37796        1.74378        4.94858
C          3.14147        4.20537       -3.33635
C          2.81431        5.41653       -1.27876
H          2.91155        4.30701        0.53902
C          5.32478        3.30738        3.95858
C          6.39181        4.02032        1.91896
H          5.59324        3.28331        0.08482
C          2.90302        5.39135       -2.68671
H          3.19105        4.16664       -4.42178
H          2.59624        6.35198       -0.77094
C          6.29857        4.04085        3.32647
H          5.25552        3.29514        5.04358
H          7.18268        4.57775        1.42482
H          2.76741        6.30839       -3.25297
H          7.00771        4.62462        3.90644
98
l_ndi_rh_cod_16.log
C         -5.83817        3.35730       -0.41100
C         -4.83899        2.28275       -0.21784
C         -5.13285        1.19682        0.63158
C         -6.37198        1.11199        1.29839
C         -7.39072        2.17333        1.11474
N         -7.05105        3.23090        0.26585
C         -3.61929        2.34803       -0.86753
C         -2.66717        1.33813       -0.69112
C         -2.93135        0.26320        0.14467
C         -4.16611        0.17846        0.82187
C         -4.45867       -0.89893        1.68111
C         -5.68330       -0.96287        2.32580
C         -6.64013        0.03987        2.13138
C         -1.93543       -0.79620        0.31996
N         -2.22690       -1.82783        1.20106
C         -3.44831       -1.93852        1.92832
O         -8.47397        2.12931        1.67813
O         -5.62808        4.32329       -1.13022
C         -8.02561        4.31082        0.05448
C         -1.19611       -2.78866        1.49852
O         -0.86573       -0.73987       -0.31141
O         -3.60205       -2.84812        2.71966
C         -1.40420       -4.15317        1.31399
C         -0.36950       -5.03139        1.61248
C          0.87810       -4.55246        2.01407
C          1.07873       -3.18630        2.18948
C          0.01221       -2.30829        1.98124
C          2.42723       -2.61107        2.50384
O          3.08208       -1.99964        1.33252
H         -3.40572        3.19066       -1.51665
H         -1.71436        1.39818       -1.20628
H         -5.89482       -1.79619        2.98773
H         -7.59786       -0.01486        2.63822
H         -8.92093        4.08313        0.62970
H         -7.59954        5.26215        0.38441
H         -8.27084        4.38298       -1.00848
H         -2.35613       -4.51945        0.94430
H         -0.52569       -6.09932        1.49339
H          1.69921       -5.24444        2.18214
H          0.12282       -1.24760        2.18610
H          3.12616       -3.38339        2.82946
H          2.35919       -1.83379        3.27214
Rh         0.64792       -2.05549       -1.05911
C          1.70673       -3.85044       -1.45687
C          2.12376       -2.87750       -2.39073
C         -0.52191       -2.01905       -2.94121
C         -0.92932       -3.14175       -2.23744
C          0.75528       -4.97912       -1.75575
H          2.37426       -4.04460       -0.61442
C          1.69582       -2.86296       -3.84897
H          3.08716       -2.41396       -2.19379
C          0.45301       -1.99088       -4.08702
H         -1.11323       -1.11102       -2.81545
C         -0.49327       -4.55427       -2.55384
H         -1.80717       -3.03636       -1.59858
H          0.44331       -5.41568       -0.80328
H          1.30202       -5.77113       -2.29146
H          2.52063       -2.47227       -4.45373
H          1.52489       -3.89065       -4.18517
H          0.76601       -0.95031       -4.22669
H         -0.05874       -2.28941       -5.01518
H         -0.31940       -4.65054       -3.62961
H         -1.31425       -5.23592       -2.30897
P          2.28692       -1.14089        0.22124
O          3.65561       -0.60259       -0.51445
O          1.73862        0.21869        0.96302
C          3.51111        0.55138       -1.29567
C          2.65001        1.07837        1.58629
C          3.53523        0.41123       -2.69331
C          3.40521        1.77598       -0.66370
C          3.49146        1.85035        0.81154
C          2.60954        1.14924        2.98801
C          3.40285        1.52483       -3.48202
H          3.67504       -0.57122       -3.12993
C          3.18381        2.93326       -1.47711
C          4.44656        2.67787        1.48486
C          3.46778        1.99684        3.63899
H          1.89134        0.54035        3.52851
C          3.19935        2.79961       -2.90294
H          3.43236        1.43471       -4.56475
C          2.90279        4.20854       -0.92576
C          4.41432        2.76082        2.91456
C          5.45772        3.39101        0.79387
H          3.44426        2.07572        4.72268
C          2.99381        3.94505       -3.71071
C          2.69121        5.29695       -1.73867
H          2.84318        4.32265        0.15152
C          5.34633        3.59202        3.58317
C          6.35714        4.17675        1.47508
H          5.52892        3.30493       -0.28534
C          2.75092        5.17133       -3.14270
H          3.02174        3.82930       -4.79146
H          2.47000        6.26365       -1.29481
C          6.29507        4.29263        2.87969
H          5.30174        3.65334        4.66776
H          7.12888        4.70876        0.92574
H          2.59003        6.04329       -3.77022
H          7.00870        4.92381        3.40158
98
l_ndi_rh_cod_17.log
C         -5.69130        3.37909       -0.29913
C         -4.72654        2.26141       -0.16907
C         -4.93453        1.25364        0.79461
C         -6.05235        1.29069        1.65303
C         -7.02753        2.39815        1.54277
N         -6.78705        3.36708        0.56762
C         -3.61871        2.21191       -0.99631
C         -2.69707        1.16494       -0.88683
C         -2.88298        0.16104        0.05101
C         -4.00388        0.19092        0.90737
C         -4.21570       -0.81159        1.87483
C         -5.32091       -0.75436        2.70808
C         -6.23903        0.29613        2.59645
C         -1.91636       -0.93651        0.15596
N         -2.15815       -1.92319        1.10261
C         -3.25319       -1.91422        2.01282
O         -8.01005        2.47931        2.26545
O         -5.53755        4.26814       -1.12373
C         -7.77627        4.45035        0.47426
C         -1.20035       -2.99008        1.23934
O         -0.92820       -0.95064       -0.59513
O         -3.34493       -2.78657        2.85479
C         -1.56463       -4.31296        1.02076
C         -0.57818       -5.29128        1.09853
C          0.75483       -4.94345        1.30791
C          1.10805       -3.61213        1.52142
C          0.10650       -2.64207        1.54851
C          2.55158       -3.22146        1.68197
O          2.84803       -1.85410        1.28611
H         -3.46810        2.99443       -1.73242
H         -1.83051        1.13888       -1.53872
H         -5.46997       -1.53183        3.45021
H         -7.10369        0.33741        3.25067
H         -8.76735        4.02745        0.29093
H         -7.79972        5.01338        1.41144
H         -7.49146        5.10542       -0.34670
H         -2.59092       -4.57088        0.77995
H         -0.84437       -6.33201        0.93975
H          1.52541       -5.71033        1.28727
H          0.32367       -1.61224        1.81023
H          3.19387       -3.89867        1.10948
H          2.85741       -3.26573        2.73310
Rh         0.71765       -2.12665       -1.34950
C         -0.47972       -2.36217       -3.24072
C         -0.82198       -3.38181       -2.36999
C          1.98695       -3.68951       -2.02406
C          2.29312       -2.50494       -2.73570
C          0.41263       -2.55756       -4.44233
H         -1.06938       -1.44558       -3.21126
C         -0.29501       -4.79020       -2.44583
H         -1.69755       -3.23836       -1.73519
C          1.23550       -4.87415       -2.61340
H          2.67326       -3.94536       -1.21599
C          1.86210       -2.15458       -4.13508
H          3.20211       -1.99283       -2.42719
H          0.03509       -1.94328       -5.26646
H          0.36033       -3.59889       -4.77229
H         -0.58252       -5.29881       -1.52199
H         -0.79581       -5.33028       -3.26330
H          1.58831       -5.78595       -2.12124
H          1.50748       -4.97030       -3.67046
H          2.55605       -2.60758       -4.86063
H          1.96558       -1.06859       -4.24603
P          2.20496       -1.08239        0.02106
O          3.62042       -0.43288       -0.51147
O          1.48474        0.22981        0.69303
C          3.58512        0.79732       -1.17763
C          2.24087        1.03773        1.54967
C          3.86697        0.80106       -2.55451
C          3.35264        1.95394       -0.45661
C          3.18278        1.88834        1.01100
C          1.96163        0.95955        2.92340
C          3.86131        1.98809       -3.23996
H          4.10584       -0.13209       -3.05299
C          3.25857        3.18673       -1.17932
C          3.98825        2.65124        1.91711
C          2.67484        1.74326        3.79264
H          1.18483        0.28478        3.26993
C          3.53313        3.19848       -2.58451
H          4.09174        2.00725       -4.30188
C          2.85930        4.39955       -0.56371
C          3.71045        2.58619        3.32085
C          5.08566        3.43716        1.48558
H          2.46891        1.70702        4.85921
C          3.45702        4.42011       -3.29785
C          2.77848        5.56488       -1.28858
H          2.60298        4.40362        0.49047
C          4.49572        3.34894        4.21993
C          5.83803        4.15260        2.38696
H          5.34151        3.46365        0.43157
C          3.09325        5.58265       -2.66382
H          3.68144        4.41442       -4.36166
H          2.46263        6.48140       -0.79797
C          5.53481        4.12272        3.76439
H          4.26560        3.29814        5.28136
H          6.68016        4.74214        2.03517
H          3.03255        6.51382       -3.21996
H          6.13464        4.70004        4.46220
98
l_ndi_rh_cod_18.log
C         -5.74045        3.36029       -0.33964
C         -4.76509        2.25638       -0.17491
C         -4.95682        1.28453        0.82814
C         -6.06844        1.34485        1.69316
C         -7.05219        2.44083        1.55077
N         -6.82787        3.37380        0.53751
C         -3.66328        2.18390       -1.00855
C         -2.73216        1.14910       -0.86685
C         -2.90246        0.17966        0.10952
C         -4.01759        0.23326        0.97240
C         -4.21442       -0.73348        1.97843
C         -5.31401       -0.65415        2.81722
C         -6.24091        0.38439        2.67384
C         -1.92671       -0.90657        0.24794
N         -2.15483       -1.85920        1.23262
C         -3.24248       -1.82210        2.15133
O         -8.02853        2.54251        2.27919
O         -5.60213        4.21685       -1.20061
C         -7.82651        4.44495        0.41191
C         -1.19131       -2.91492        1.40451
O         -0.94275       -0.94168       -0.50868
O         -3.32085       -2.66030        3.02851
C         -1.55669       -4.24814        1.26221
C         -0.56907       -5.22075        1.38045
C          0.76587       -4.86262        1.55659
C          1.12046       -3.52178        1.69312
C          0.11942       -2.55064        1.67761
C          2.56516       -3.12251        1.81686
O          2.84718       -1.77042        1.36538
H         -3.52482        2.93862       -1.77547
H         -1.87042        1.10510       -1.52416
H         -5.45125       -1.40473        3.58872
H         -7.10125        0.44360        3.33237
H         -7.84680        5.04302        1.32723
H         -7.55421        5.07082       -0.43572
H         -8.81569        4.00774        0.25348
H         -2.58584       -4.51917        1.05002
H         -0.83674       -6.26845        1.28101
H          1.53680       -5.62933        1.56927
H          0.33934       -1.50903        1.88530
H          3.20069       -3.82017        1.26133
H          2.88693       -3.12621        2.86415
Rh         0.68032       -2.18236       -1.22164
C          1.91541       -3.79513       -1.84130
C          2.22906       -2.65124       -2.61314
C         -0.54617       -2.48400       -3.08114
C         -0.89142       -3.45788       -2.15950
C          1.13797       -4.99409       -2.36460
H          2.61039       -4.02230       -1.03202
C          1.78284       -2.36099       -4.02109
H          3.15111       -2.14121       -2.34292
C          0.32230       -2.75222       -4.28626
H         -1.12122       -1.55770       -3.08724
C         -0.38929       -4.87750       -2.18508
H         -1.75716       -3.27445       -1.52164
H          1.48287       -5.88752       -1.83456
H          1.39566       -5.14265       -3.41917
H          1.90283       -1.28364       -4.18589
H          2.45815       -2.86019       -4.73390
H         -0.05827       -2.17091       -5.13262
H          0.24638       -3.80698       -4.56538
H         -0.90729       -5.43951       -2.97664
H         -0.67598       -5.34606       -1.24019
P          2.20662       -1.07323        0.05548
O          3.62697       -0.48205       -0.52972
O          1.51264        0.28932        0.64840
C          3.60855        0.70252       -1.27378
C          2.28733        1.14234        1.44237
C          3.88969        0.61176       -2.64781
C          3.39518        1.90725       -0.62989
C          3.23496        1.94247        0.83990
C          2.01910        1.16069        2.82035
C          3.89887        1.75050       -3.41051
H          4.11706       -0.35540       -3.08269
C          3.31565        3.09070       -1.43304
C          4.05914        2.75265        1.68658
C          2.75010        1.99123        3.62921
H          1.23606        0.52180        3.21736
C          3.58668        3.00547       -2.83636
H          4.12899        1.69663       -4.47132
C          2.93466        4.34716       -0.89870
C          3.79286        2.78581        3.09368
C          5.16405        3.49139        1.19501
H          2.55279        2.03010        4.69730
C          3.52449        4.17784       -3.62918
C          2.86746        5.46285       -1.69920
H          2.68137        4.42462        0.15347
C          4.59649        3.59568        3.93331
C          5.93452        4.25422        2.04044
H          5.41115        3.44303        0.13970
C          3.17819        5.38482       -3.07326
H          3.74590        4.09868       -4.69074
H          2.56556        6.41422       -1.26999
C          5.64267        4.32158        3.41895
H          4.37474        3.61980        4.99746
H          6.78200        4.80622        1.64349
H          3.12836        6.27770       -3.68996
H          6.25657        4.93557        4.07177
98
l_ndi_rh_cod_19.log
C         -5.68515        3.37524       -0.25175
C         -4.72003        2.25678       -0.13178
C         -4.92155        1.24637        0.83045
C         -6.03369        1.28086        1.69631
C         -7.00941        2.38883        1.59592
N         -6.77428        3.36157        0.62329
C         -3.61793        2.20957       -0.96679
C         -2.69570        1.16227       -0.86660
C         -2.87560        0.15551        0.06935
C         -3.99073        0.18278        0.93323
C         -4.19615       -0.82284        1.89885
C         -5.29563       -0.76782        2.73986
C         -6.21419        0.28332        2.63778
C         -1.90850       -0.94242        0.16426
N         -2.14464       -1.93284        1.10829
C         -3.23338       -1.92666        2.02606
O         -7.98794        2.46713        2.32430
O         -5.53740        4.26608       -1.07550
C         -7.76311        4.44616        0.54097
C         -1.18743       -3.00198        1.23212
O         -0.92491       -0.95334       -0.59268
O         -3.31971       -2.80213        2.86534
C         -1.55469       -4.32266        1.00561
C         -0.56866       -5.30258        1.06835
C          0.76627       -4.95761        1.27020
C          1.12244       -3.62832        1.49160
C          0.12202       -2.65776        1.53433
C          2.56770       -3.24047        1.64314
O          2.86237       -1.86998        1.25670
H         -3.47241        2.99416       -1.70173
H         -1.83339        1.13812       -1.52417
H         -5.43995       -1.54762        3.48049
H         -7.07444        0.32257        3.29792
H         -7.47853        5.10879       -0.27395
H         -8.75474        4.02587        0.35434
H         -7.78522        4.99989        1.48363
H         -2.58296       -4.57758        0.76995
H         -0.83700       -6.34177        0.90324
H          1.53587       -5.72504        1.23728
H          0.34224       -1.63004        1.80162
H          3.20425       -3.91331        1.05925
H          2.88258       -3.29412        2.69114
Rh         0.71699       -2.11908       -1.36930
C         -0.49298       -2.34337       -3.25325
C         -0.82770       -3.36984       -2.38769
C          1.98407       -3.67515       -2.06317
C          2.28391       -2.48490       -2.76799
C          0.39178       -2.52736       -4.46236
H         -1.08451       -1.42839       -3.21295
C         -0.29857       -4.77661       -2.47577
H         -1.69937       -3.23227       -1.74622
C          1.23050       -4.85635       -2.65666
H          2.67549       -3.93595       -1.26110
C          1.84285       -2.12477       -4.16177
H          3.19412       -1.97361       -2.46165
H          0.00772       -1.90687       -5.27877
H          0.33874       -3.56597       -4.80063
H         -0.57723       -5.29067       -1.55220
H         -0.80534       -5.31332       -3.29181
H          1.58897       -5.77158       -2.17508
H          1.49412       -4.94309       -3.71662
H          2.53233       -2.57144       -4.89546
H          1.94438       -1.03785       -4.26539
P          2.21133       -1.08696        0.00275
O          3.62314       -0.43113       -0.53148
O          1.49375        0.21834        0.69068
C          3.58206        0.80457       -1.18731
C          2.25400        1.01972        1.54979
C          3.85507        0.82032       -2.56588
C          3.35259        1.95464       -0.45496
C          3.19166        1.87619        1.01302
C          1.98324        0.92910        2.92447
C          3.84360        2.01327       -3.24099
H          4.09188       -0.10808       -3.07409
C          3.25245        3.19349       -1.16641
C          4.00172        2.63201        1.92094
C          2.70093        1.70577        3.79630
H          1.20941        0.25028        3.26973
C          3.51821        3.21757       -2.57309
H          4.06715        2.04181       -4.30416
C          2.85534        4.40043       -0.53804
C          3.73272        2.55408        3.32572
C          5.09554        3.42303        1.48958
H          2.50167        1.65965        4.86375
C          3.43622        4.44518       -3.27546
C          2.76860        5.57184       -1.25235
H          2.60561        4.39513        0.51772
C          4.52283        3.30954        4.22669
C          5.85275        4.13122        2.39265
H          5.34471        3.45931        0.43427
C          3.07494        5.60179       -2.62930
H          3.65399        4.44892       -4.34065
H          2.45452        6.48370       -0.75199
C          5.55823        4.08854        3.77163
H          4.29947        3.24889        5.28905
H          6.69200        4.72488        2.04089
H          3.00970        6.53759       -3.17707
H          6.16187        4.66015        4.47085
98
l_ndi_rh_cod_2.log
C         -6.62702        2.81121        0.46591
C         -5.51219        1.87782        0.17492
C         -5.72695        0.74964       -0.64275
C         -6.99514        0.48915       -1.20037
C         -8.12258        1.40762       -0.92423
N         -7.86632        2.50566       -0.10170
C         -4.26026        2.11586        0.71369
C         -3.19902        1.24138        0.45553
C         -3.38655        0.12442       -0.34450
C         -4.65506       -0.14019       -0.90276
C         -4.87810       -1.27085       -1.71309
C         -6.13124       -1.50343       -2.25611
C         -7.18929       -0.62352       -1.99961
C         -2.27829       -0.80388       -0.58400
N         -2.53709       -1.93928       -1.33937
C         -3.77880       -2.21006       -1.98236
O         -9.24014        1.22888       -1.38573
O         -6.47081        3.79852        1.16903
C         -9.00497        3.39848        0.15810
C         -1.46372       -2.87576       -1.54811
O         -1.15453       -0.55950       -0.11133
O         -3.88382       -3.17631       -2.71238
C         -1.59418       -4.20486       -1.15578
C         -0.49641       -5.04661       -1.29291
C          0.72743       -4.55224       -1.74292
C          0.84437       -3.21747       -2.12189
C         -0.27751       -2.39257       -2.07445
C          2.17080       -2.61994       -2.50423
O          2.22555       -1.19832       -2.19317
H         -4.10750        2.98675        1.34226
H         -2.22342        1.43512        0.88774
H         -6.28807       -2.37780       -2.87927
H         -8.17046       -0.81141       -2.42313
H         -9.82493        2.82744        0.60077
H         -8.67956        4.17972        0.84207
H         -9.34908        3.84217       -0.78043
H         -2.52710       -4.56786       -0.73721
H         -0.58048       -6.08721       -0.99384
H          1.59868       -5.20197       -1.76980
H         -0.22066       -1.36301       -2.41082
H          2.34109       -2.66265       -3.58486
H          2.99283       -3.14508       -2.00469
Rh         0.57156       -1.52407        0.80482
C          2.06306       -1.74407        2.32456
C          1.96860       -2.92604        1.54997
C         -0.82049       -2.73328        2.10797
C         -0.73731       -1.45629        2.63018
C          1.53107       -1.61866        3.74267
H          2.88678       -1.07261        2.09511
C          1.25985       -4.18691        1.97210
H          2.75063       -3.09560        0.80693
C         -0.10233       -3.94567        2.65480
H         -1.63760       -2.93253        1.41391
C          0.12385       -1.00931        3.77839
H         -1.50604       -0.74466        2.32816
H          2.20881       -0.97588        4.31345
H          1.54863       -2.59912        4.22777
H          1.10543       -4.79321        1.07359
H          1.91885       -4.77374        2.63102
H         -0.73421       -4.82439        2.48921
H          0.01534       -3.84458        3.73721
H         -0.37833       -1.23805        4.73112
H          0.20362        0.08239        3.72429
P          2.07521       -0.68042       -0.66689
O          1.85350        0.88957       -1.08158
O          3.60636       -0.67807       -0.08399
C          2.12465        1.79299       -0.04429
C          4.57722        0.11356       -0.70557
C          1.03178        2.34985        0.63762
C          3.44049        2.09667        0.24302
C          4.52183        1.48672       -0.56476
C          5.59688       -0.55266       -1.40304
C          1.26506        3.23204        1.66082
H          0.02709        2.07482        0.33297
C          3.69513        2.95983        1.35638
C          5.50575        2.26630       -1.25226
C          6.58531        0.18368       -2.00264
H          5.58709       -1.63741       -1.44538
C          2.58872        3.54355        2.05554
H          0.43459        3.68498        2.19605
C          5.00441        3.22490        1.82945
C          6.55780        1.59842       -1.95965
C          5.45835        3.68196       -1.30023
H          7.39063       -0.31231       -2.53789
C          2.83846        4.40693        3.15045
C          5.21042        4.05621        2.90498
H          5.85272        2.75753        1.34055
C          7.54209        2.36706       -2.62812
C          6.42159        4.39708       -1.97171
H          4.64466        4.20568       -0.80949
C          4.12217        4.66532        3.56421
H          1.98994        4.85256        3.66373
H          6.22230        4.24135        3.25458
C          7.48157        3.73891       -2.63014
H          8.34029        1.84565       -3.15069
H          6.36199        5.48150       -2.00139
H          4.30291        5.32592        4.40738
H          8.23832        4.31956       -3.14992
98
l_ndi_rh_cod_20.log
C         -5.74978        3.36064       -0.45960
C         -4.77761        2.25796       -0.26887
C         -4.98744        1.29373        0.73799
C         -6.11460        1.36054        1.58213
C         -7.09618        2.45469        1.41293
N         -6.85306        3.38052        0.39745
C         -3.66086        2.17908       -1.08178
C         -2.73194        1.14600       -0.91460
C         -2.91900        0.18491        0.06698
C         -4.04967        0.24517        0.90898
C         -4.26412       -0.71273        1.91976
C         -5.37914       -0.62759        2.73731
C         -6.30448        0.40828        2.56760
C         -1.94390       -0.89804        0.23414
N         -2.18824       -1.84074        1.22480
C         -3.29332       -1.79700        2.12238
O         -8.08629        2.56092        2.12180
O         -5.59518        4.21139       -1.32350
C         -7.84929        4.45046        0.24554
C         -1.22358       -2.88916        1.43107
O         -0.94561       -0.93902       -0.50323
O         -3.38617       -2.62540        3.00737
C         -1.58127       -4.22630        1.30787
C         -0.59266       -5.19250        1.46396
C          0.73733       -4.82582        1.65890
C          1.08435       -3.48113        1.77550
C          0.08045       -2.51435        1.72175
C          2.52478       -3.07332        1.91835
O          2.80579       -1.72583        1.45323
H         -3.50859        2.92753       -1.85219
H         -1.85833        1.09660       -1.55568
H         -5.52938       -1.37119        3.51309
H         -7.17690        0.47244        3.20951
H         -7.88469        5.05700        1.15483
H         -7.56330        5.06888       -0.60310
H         -8.83571        4.01169        0.07493
H         -2.60510       -4.50553        1.08153
H         -0.85472       -6.24295        1.37995
H          1.51070       -5.58895        1.70110
H          0.29259       -1.46824        1.91461
H          3.17336       -3.77517        1.38342
H          2.82904       -3.06106        2.97080
Rh         0.68917       -2.19595       -1.16629
C          1.93124       -3.82140       -1.73591
C          2.26115       -2.69161       -2.52165
C         -0.50464       -2.52657       -3.04077
C         -0.86817       -3.48463       -2.10927
C          1.16108       -5.02731       -2.25406
H          2.61043       -4.03581       -0.90991
C          1.84101       -2.42605       -3.94238
H          3.17933       -2.17880       -2.24399
C          0.38392       -2.81701       -4.22607
H         -1.07819       -1.59984       -3.07271
C         -0.36870       -4.90545       -2.10283
H         -1.74521       -3.28985       -1.49058
H          1.49565       -5.91336       -1.70528
H          1.43644       -5.19149       -3.30179
H          1.96808       -1.35247       -4.12533
H          2.52686       -2.94088       -4.63370
H          0.02002       -2.24851       -5.08832
H          0.30902       -3.87591       -4.48944
H         -0.87394       -5.47932       -2.89413
H         -0.67265       -5.35823       -1.15570
P          2.19537       -1.06026        0.11252
O          3.62942       -0.48779       -0.45807
O          1.49395        0.31769        0.65762
C          3.63106        0.67722       -1.23238
C          2.25471        1.18970        1.44420
C          3.94475        0.55067       -2.59651
C          3.40647        1.89870       -0.62470
C          3.21570        1.97261        0.84014
C          1.95876        1.24438        2.81551
C          3.97548        1.66932       -3.38770
H          4.18032       -0.42773       -3.00089
C          3.34844        3.06108       -1.45995
C          4.02405        2.80364        1.68197
C          2.67438        2.09521        3.61699
H          1.16688        0.61668        3.21285
C          3.65286        2.93923       -2.85365
H          4.23116        1.58773       -4.44085
C          2.95781        4.33158       -0.96736
C          3.72889        2.87447        3.08196
C          5.14042        3.52758        1.19423
H          2.45543        2.16256        4.67942
C          3.61326        4.09101       -3.67742
C          2.91312        5.42659       -1.79750
H          2.67902        4.43651        0.07593
C          4.51583        3.70604        3.91619
C          5.89415        4.31220        2.03484
H          5.41000        3.45054        0.14617
C          3.25714        5.31261       -3.16106
H          3.86016        3.98427       -4.73091
H          2.60345        6.38922       -1.40022
C          5.57335        4.41725        3.40454
H          4.27176        3.75895        4.97438
H          6.75073        4.85224        1.64101
H          3.22498        6.18942       -3.80152
H          6.17404        5.04833        4.05331
98
l_ndi_rh_cod_3.log
C         -6.53967        2.91643        0.39000
C         -5.45484        1.93088        0.16602
C         -5.68814        0.78578       -0.62230
C         -6.95096        0.55030       -1.20260
C         -8.04838        1.52164       -0.99460
N         -7.76947        2.64446       -0.21404
C         -4.21081        2.14041        0.73389
C         -3.17253        1.22674        0.52371
C         -3.37465        0.09906       -0.25744
C         -4.63934       -0.14376       -0.83367
C         -4.88098       -1.29066       -1.61522
C         -6.13088       -1.50286       -2.17388
C         -7.16486       -0.58190       -1.96862
C         -2.28044       -0.85047       -0.47751
N         -2.55356       -1.99323       -1.21664
C         -3.80242       -2.26371       -1.84600
O         -9.15990        1.36660       -1.47874
O         -6.36681        3.91869        1.06760
C         -8.87595        3.59439       -0.02899
C         -1.48082       -2.92688       -1.44222
O         -1.15298       -0.61050       -0.01163
O         -3.92712       -3.25191       -2.54273
C         -1.59263       -4.25591       -1.04499
C         -0.49227       -5.09002       -1.20870
C          0.71669       -4.58821       -1.68959
C          0.81526       -3.25298       -2.07260
C         -0.31106       -2.43674       -1.99866
C          2.12671       -2.64525       -2.48918
O          2.17974       -1.22355       -2.17713
H         -4.04501        3.02243        1.34335
H         -2.20223        1.40074        0.97544
H         -6.30272       -2.39067       -2.77361
H         -8.14185       -0.75092       -2.40940
H         -8.52090        4.41904        0.58591
H         -9.20742        3.96705       -1.00181
H         -9.71454        3.09365        0.46230
H         -2.51247       -4.62523       -0.60383
H         -0.56191       -6.13099       -0.90726
H          1.59094       -5.23263       -1.73808
H         -0.26954       -1.40759       -2.33869
H          2.26800       -2.68424       -3.57412
H          2.96564       -3.16533       -2.01317
Rh         0.60158       -1.56545        0.85771
C          2.12927       -1.76781        2.34366
C          2.03530       -2.94947        1.56884
C         -0.74280       -2.80009        2.19187
C         -0.66791       -1.52365        2.71543
C          1.62828       -1.65288        3.77380
H          2.93797       -1.08423        2.09732
C          1.35450       -4.22171        2.00288
H          2.80518       -3.10774        0.81075
C          0.00571       -4.00267        2.71850
H         -1.56967       -3.00959        1.51251
C          0.21276       -1.06580        3.84438
H         -1.45299       -0.82282        2.43091
H          2.30915       -1.00053        4.32981
H          1.67217       -2.63359        4.25678
H          1.18763       -4.82708        1.10594
H          2.03737       -4.80134        2.64363
H         -0.61695       -4.89021        2.56544
H          0.14803       -3.90216        3.79795
H         -0.26248       -1.30512        4.80820
H          0.27403        0.02714        3.79153
P          2.06076       -0.70652       -0.64788
O          1.81484        0.86171       -1.05585
O          3.60491       -0.68873       -0.10072
C          2.08660        1.76166       -0.01549
C          4.55216        0.12506       -0.73044
C          0.99479        2.29828        0.68367
C          3.40151        2.07976        0.25985
C          4.47972        1.49522       -0.56999
C          5.56861       -0.51672       -1.45492
C          1.22826        3.17065        1.71508
H         -0.00898        2.01509        0.38454
C          3.65801        2.93226        1.38088
C          5.44093        2.29851       -1.26238
C          6.53568        0.24232       -2.06130
H          5.57356       -1.60076       -1.51268
C          2.55230        3.49228        2.10033
H          0.39817        3.60720        2.26438
C          4.96917        3.20759        1.84262
C          6.48955        1.65578       -1.99735
C          5.37303        3.71391       -1.28847
H          7.33812       -0.23454       -2.61787
C          2.80361        4.34249        3.20514
C          5.17690        4.02534        2.92809
H          5.81742        2.75829        1.33690
C          7.45108        2.44798       -2.67153
C          6.31440        4.45232       -1.96560
H          4.56090        4.21857       -0.77576
C          4.08862        4.61045        3.60865
H          1.95561        4.76993        3.73451
H          6.19021        4.21829        3.26921
C          7.37156        3.81873       -2.65206
H          8.24711        1.94589       -3.21584
H          6.23957        5.53614       -1.97793
H          4.27065        5.26024        4.45990
H          8.11096        4.41756       -3.17617
98
l_ndi_rh_cod_4.log
C         -6.53331        2.95667        0.28607
C         -5.45436        1.95579        0.10670
C         -5.69408        0.77816       -0.63007
C         -6.95941        0.52249       -1.19622
C         -8.05324        1.50496       -1.02574
N         -7.76636        2.66228       -0.30039
C         -4.20882        2.18368        0.66404
C         -3.17519        1.25697        0.49250
C         -3.38234        0.09865       -0.24100
C         -4.64841       -0.16220       -0.80628
C         -4.89530       -1.33908       -1.54026
C         -6.14786       -1.57096       -2.08508
C         -7.17908       -0.64028       -1.91317
C         -2.29053       -0.86104       -0.42754
N         -2.56328       -2.02298       -1.13647
C         -3.81745       -2.31892       -1.74341
O         -9.16841        1.33021       -1.49456
O         -6.35331        3.98921        0.91468
C         -8.86845        3.62416       -0.15496
C         -1.48206       -2.94688       -1.36251
O         -1.16432       -0.61083        0.03617
O         -3.94635       -3.33128       -2.40375
C         -1.56797       -4.27244       -0.94795
C         -0.45843       -5.09261       -1.12083
C          0.73526       -4.57963       -1.62774
C          0.80781       -3.24787       -2.02800
C         -0.32882       -2.44736       -1.94460
C          2.10154       -2.62210       -2.47237
O          2.14286       -1.20045       -2.15388
H         -4.03809        3.09076        1.23417
H         -2.20371        1.44563        0.93539
H         -6.32331       -2.48140       -2.64882
H         -8.15818       -0.82464       -2.34304
H         -9.20709        3.94796       -1.14261
H         -9.70452        3.15226        0.36831
H         -8.50597        4.47793        0.41424
H         -2.47483       -4.64991       -0.48743
H         -0.50826       -6.13087       -0.80640
H          1.61781       -5.21209       -1.68306
H         -0.30632       -1.42135       -2.29594
H          2.21773       -2.65309       -3.56050
H          2.95846       -3.13279       -2.01898
Rh         0.60086       -1.55093        0.90380
C         -0.73474       -2.76031        2.26621
C         -0.64560       -1.47751        2.77306
C          2.14500       -1.74563        2.37609
C          2.03547       -2.93436        1.61508
C          0.01143       -3.96277        2.79686
H         -1.57305       -2.97194        1.60172
C          0.25084       -1.00960        3.88525
H         -1.43075       -0.77633        2.48920
C          1.65913       -1.61207        3.80969
H          2.95550       -1.07016        2.11435
C          1.35194       -4.19754        2.07044
H          2.79482       -3.10428        0.84894
H         -0.61832       -4.84760        2.65790
H          0.16480       -3.85363        3.87396
H          0.32308        0.08170        3.81240
H         -0.21733       -1.22673        4.85782
H          2.35172       -0.96151        4.35324
H          1.69704       -2.58843        4.30178
H          2.03814       -4.77356        2.71093
H          1.17342       -4.81216        1.18219
P          2.04858       -0.69668       -0.61823
O          1.80423        0.87670       -1.00624
O          3.60160       -0.69244       -0.09510
C          2.09978        1.76334        0.03960
C          4.54193        0.12139       -0.73562
C          1.02439        2.29330        0.76875
C          3.42101        2.07321        0.29244
C          4.48010        1.49068       -0.56288
C          5.54096       -0.51942       -1.48490
C          1.28182        3.15147        1.80633
H          0.01357        2.01615        0.48864
C          3.70325        2.91132        1.41835
C          5.43223        2.29475       -1.26668
C          6.50004        0.23974       -2.10375
H          5.53953       -1.60295       -1.55168
C          2.61448        3.46522        2.16756
H          0.46444        3.58209        2.37887
C          5.02441        3.17662        1.85665
C          6.46274        1.65287       -2.02729
C          5.37147        3.71065       -1.27895
H          7.28892       -0.23671       -2.67975
C          2.89112        4.30039        3.27785
C          5.25714        3.97969        2.94801
H          5.86072        2.73117        1.32814
C          7.41502        2.44596       -2.71353
C          6.30332        4.45012       -1.96795
H          4.57214        4.21458       -0.74575
C          4.18498        4.55935        3.65831
H          2.05542        4.72318        3.83006
H          6.27787        4.16504        3.27075
C          7.34330        3.81691       -2.68063
H          8.19750        1.94462       -3.27786
H          6.23426        5.53439       -1.96938
H          4.38671        5.19751        4.51391
H          8.07547        4.41643       -3.21403
98
l_ndi_rh_cod_5.log
C         -6.53707        2.87591        0.54627
C         -5.45563        1.90530        0.25155
C         -5.69219        0.82320       -0.62065
C         -6.95232        0.64158       -1.22581
C         -8.04658        1.59824       -0.94681
N         -7.76812        2.65213       -0.07519
C         -4.21302        2.06379        0.83905
C         -3.18177        1.15631        0.57339
C         -3.39007        0.08728       -0.28460
C         -4.65007       -0.09843       -0.89086
C         -4.89288       -1.18020       -1.76065
C         -6.13826       -1.33664       -2.34671
C         -7.16749       -0.42636       -2.07872
C         -2.30782       -0.86663       -0.54658
N         -2.58486       -1.94837       -1.37454
C         -3.82136       -2.14555       -2.05126
O         -9.15591        1.48794       -1.44811
O         -6.36183        3.82444        1.29670
C         -8.87270        3.58732        0.18260
C         -1.53704       -2.90861       -1.60402
O         -1.19216       -0.68846       -0.03266
O         -3.94522       -3.07241       -2.82825
C         -1.72059       -4.25131       -1.29058
C         -0.63925       -5.11714       -1.42203
C          0.61524       -4.63819       -1.79295
C          0.78395       -3.28941       -2.10034
C         -0.31548       -2.43500       -2.05523
C          2.13862       -2.72645       -2.43092
O          2.20154       -1.29828       -2.16793
H         -4.04351        2.89880        1.51055
H         -2.21283        1.28686        1.04340
H         -6.31180       -2.17366       -3.01502
H         -8.14219       -0.55388       -2.53813
H         -9.72927        3.04183        0.58673
H         -8.53143        4.33287        0.89801
H         -9.17108        4.07334       -0.75051
H         -2.68029       -4.60947       -0.93282
H         -0.76624       -6.16888       -1.18337
H          1.46815       -5.31177       -1.82149
H         -0.22080       -1.39494       -2.34673
H          2.36219       -2.81303       -3.49928
H          2.92363       -3.24952       -1.87260
Rh         0.60591       -1.61589        0.82404
C          2.00091       -1.35906        2.39446
C          2.12681       -2.67102        1.85827
C         -0.68762       -3.11620        1.89194
C         -0.75641       -1.96603        2.64591
C          1.30547       -0.97075        3.67193
H          2.76181       -0.63774        2.09877
C          1.63421       -3.93179        2.55572
H          2.98019       -2.83118        1.20021
C          0.18790       -4.30542        2.18303
H         -1.46513       -3.27758        1.14404
C          0.00201       -1.74175        3.92787
H         -1.55682       -1.26056        2.42442
H          1.08398        0.10175        3.60909
H          2.00244       -1.09117        4.51641
H          2.28877       -4.76292        2.27530
H          1.74214       -3.80818        3.63835
H          0.20022       -4.93189        1.28544
H         -0.26875       -4.91395        2.97838
H          0.20214       -2.69930        4.41571
H         -0.62669       -1.16194        4.61166
P          2.06694       -0.73762       -0.65640
O          1.82606        0.81833       -1.11383
O          3.60497       -0.70161       -0.09530
C          2.07557        1.74524       -0.09226
C          4.55766        0.10213       -0.72848
C          0.96979        2.29348        0.57570
C          3.38475        2.07602        0.19616
C          4.47870        1.47547       -0.60121
C          5.58845       -0.55312       -1.42009
C          1.18317        3.19339        1.58773
H         -0.02840        1.99696        0.26902
C          3.61938        2.95595        1.30063
C          5.45040        2.26518       -1.29485
C          6.56457        0.19414       -2.02619
H          5.59663       -1.63822       -1.45273
C          2.49966        3.52942        1.98704
H          0.34258        3.63985        2.11253
C          4.92158        3.24541        1.77881
C          6.51415        1.60857       -1.99519
C          5.37997        3.67940       -1.35512
H          7.37810       -0.29323       -2.55694
C          2.72953        4.40676        3.07522
C          5.10817        4.08927        2.84806
H          5.77966        2.78607        1.29934
C          7.48677        2.38739       -2.66898
C          6.33256        4.40439       -2.03122
H          4.55724        4.19416       -0.87005
C          4.00659        4.68777        3.49484
H          1.87129        4.84427        3.57924
H          6.11484        4.29248        3.20264
C          7.40409        3.75803       -2.68264
H          8.29402        1.87464       -3.18617
H          6.25545        5.48743       -2.06995
H          4.17193        5.35837        4.33327
H          8.15219        4.34649       -3.20615
98
l_ndi_rh_cod_6.log
C         -6.18523        2.94366        1.07771
C         -5.12462        1.98294        0.68966
C         -5.38264        0.99720       -0.28509
C         -6.64476        0.90437       -0.90588
C         -7.72256        1.84363       -0.52435
N         -7.42043        2.80661        0.43974
C         -3.88134        2.05311        1.29353
C         -2.87330        1.14621        0.94860
C         -3.10345        0.17248       -0.01183
C         -4.35947        0.08733       -0.64860
C         -4.61935       -0.88934       -1.63090
C         -5.86583       -0.95790       -2.23184
C         -6.87921       -0.06469       -1.86528
C         -2.05208       -0.78651       -0.35439
N         -2.32431       -1.72833       -1.33552
C         -3.55840       -1.82206       -2.03978
O         -8.83771        1.79694       -1.02243
O         -5.99012        3.81146        1.91588
C         -8.50821        3.72926        0.79497
C         -1.27128       -2.63492       -1.71417
O         -0.95466       -0.73522        0.22664
O         -3.68503       -2.63676       -2.93309
C         -1.43669       -4.00973       -1.58161
C         -0.36909       -4.84658       -1.88956
C          0.86050       -4.31325       -2.26866
C          1.01270       -2.93434       -2.40122
C         -0.07590       -2.09548       -2.16316
C          2.35031       -2.30766       -2.64199
O          2.98378       -1.94876       -1.36531
H         -3.69423        2.81494        2.04289
H         -1.90461        1.20299        1.43403
H         -6.05228       -1.71182       -2.98963
H         -7.85593       -0.12516       -2.33385
H         -9.35481        3.16494        1.19516
H         -8.13717        4.42686        1.54329
H         -8.83529        4.27332       -0.09506
H         -2.38000       -4.41836       -1.23352
H         -0.49047       -5.92189       -1.80022
H          1.70720       -4.96904       -2.45388
H          0.01461       -1.02217       -2.30416
H          2.27393       -1.40057       -3.25035
H          3.05317       -3.00332       -3.10392
Rh         0.64933       -1.88524        1.07693
C          2.04570       -2.21129        2.64255
C          1.93908       -3.38663        1.85710
C         -0.91367       -3.31050        1.84048
C         -0.78809       -2.32468        2.79610
C          1.40282       -1.96480        3.98211
H          2.92805       -1.59523        2.48202
C          1.20993       -4.64553        2.30299
H          2.74700       -3.56396        1.14592
C         -0.27362       -4.67095        1.89139
H         -1.70388       -3.19517        1.09795
C         -0.03447       -2.49663        4.09053
H         -1.45021       -1.46145        2.72461
H          1.39922       -0.88089        4.14726
H          2.03552       -2.39458        4.77465
H          1.70755       -5.51265        1.85772
H          1.31779       -4.75192        3.38754
H         -0.35961       -5.11197        0.89358
H         -0.84674       -5.32311        2.56788
H         -0.04002       -3.55052        4.38156
H         -0.55954       -1.94675        4.87833
P          2.27950       -1.02466       -0.24508
O          1.93750        0.30997       -1.15629
O          3.59575       -0.54753        0.58729
C          1.90577        1.53865       -0.49002
C          4.60261        0.15467       -0.09002
C          0.65399        2.14240       -0.28954
C          3.09808        2.12235       -0.10405
C          4.38200        1.46897       -0.44648
C          5.80919       -0.52283       -0.32211
C          0.58780        3.34938        0.35692
H         -0.23614        1.64396       -0.65774
C          3.03251        3.34108        0.64414
C          5.41152        2.13719       -1.18537
C          6.82772        0.13413       -0.96138
H          5.91095       -1.55060        0.01201
C          1.76018        3.96367        0.85879
H         -0.37146        3.83722        0.51060
C          4.17930        3.93920        1.22403
C          6.65226        1.46135       -1.42252
C          5.23720        3.43125       -1.73605
H          7.77474       -0.36688       -1.14388
C          1.69521        5.17652        1.58788
C          4.07864        5.10857        1.93970
H          5.14599        3.46002        1.10957
C          7.67792        2.12375       -2.14056
C          6.24832        4.03949       -2.44191
H          4.28959        3.94385       -1.60836
C          2.83050        5.74289        2.11311
H          0.72400        5.64336        1.73277
H          4.96946        5.54562        2.38214
C          7.48537        3.39005       -2.63549
H          8.61741        1.60102       -2.30236
H          6.08987        5.02931       -2.86096
H          2.76969        6.67065        2.67489
H          8.27633        3.88771       -3.18927
98
l_ndi_rh_cod_7.log
C         -6.63677        2.75860        0.56965
C         -5.52120        1.83629        0.26027
C         -5.73658        0.73838       -0.59715
C         -7.00345        0.50186       -1.16891
C         -8.13755        1.40775       -0.86681
N         -7.87393        2.48187       -0.01157
C         -4.27231        2.05135        0.81516
C         -3.21362        1.18021        0.53594
C         -3.40131        0.09295       -0.30402
C         -4.66592       -0.14513       -0.88238
C         -4.88485       -1.24110       -1.74012
C         -6.13521       -1.44918       -2.29859
C         -7.19391       -0.57959       -2.01100
C         -2.29536       -0.83412       -0.56313
N         -2.54967       -1.93391       -1.37449
C         -3.78395       -2.16819       -2.04438
O         -9.24916        1.22688       -1.34062
O         -6.49945        3.72721        1.30279
C         -8.96451        3.41194        0.31473
C         -1.48672       -2.88180       -1.58532
O         -1.18166       -0.62078       -0.05731
O         -3.88379       -3.09681       -2.82258
C         -1.65760       -4.22357       -1.25899
C         -0.56644       -5.07892       -1.37231
C          0.68578       -4.59038       -1.73914
C          0.84178       -3.24348       -2.05936
C         -0.26680       -2.39975       -2.03116
C          2.19221       -2.66674       -2.38229
O          2.23876       -1.23905       -2.11319
H         -4.12063        2.90032        1.47341
H         -2.23976        1.35206        0.98192
H         -6.29016       -2.29649       -2.95849
H         -8.17321       -0.75062       -2.44571
H         -9.11938        3.43262        1.39667
H         -8.70530        4.41851       -0.02485
H         -9.86834        3.07086       -0.18639
H         -2.61608       -4.58868       -0.90492
H         -0.68409       -6.12919       -1.12266
H          1.54635       -5.25458       -1.75351
H         -0.17984       -1.36140       -2.33075
H          2.42149       -2.74656       -3.44996
H          2.98004       -3.18388       -1.82243
Rh         0.58998       -1.53797        0.86012
C         -0.75503       -2.98928        1.93328
C         -0.80767       -1.82453        2.66605
C          1.96669       -1.28655        2.44992
C          2.07057       -2.60880        1.93621
C          0.08979       -4.19265        2.25434
H         -1.52946       -3.14770        1.18171
C         -0.06499       -1.59581        3.95641
H         -1.58926       -1.10582        2.42098
C          1.26211       -0.86308        3.71097
H          2.74858       -0.58740        2.15617
C          1.53756       -3.84570        2.64620
H          2.92765       -2.79890        1.29102
H          0.10311       -4.83079        1.36496
H         -0.39285       -4.78117        3.04946
H         -0.69046       -0.98765        4.61818
H          0.10100       -2.54910        4.46511
H          1.07077        0.21399        3.63121
H          1.94250       -0.99112        4.56774
H          1.62948       -3.70561        3.72831
H          2.17750       -4.69638        2.39184
P          2.08978       -0.68704       -0.59943
O          1.87978        0.87433       -1.05204
O          3.62089       -0.68074       -0.01767
C          2.15474        1.80134       -0.03780
C          4.59607        0.09068       -0.65772
C          1.06474        2.38353        0.62780
C          3.47249        2.10368        0.24338
C          4.55033        1.46693       -0.54829
C          5.61035       -0.59884       -1.34020
C          1.30320        3.29104        1.62743
H          0.05801        2.10742        0.32972
C          3.73194        2.99174        1.33574
C          5.54083        2.22341       -1.25251
C          6.60465        0.11613       -1.95554
H          5.59150       -1.68416       -1.35877
C          2.62865        3.60153        2.01748
H          0.47528        3.76382        2.14920
C          5.04226        3.25650        1.80604
C          6.58831        1.53172       -1.94357
C          5.50466        3.63796       -1.33230
H          7.40623       -0.39781       -2.47936
C          2.88311        4.48912        3.09183
C          5.25264        4.11156        2.86191
H          5.88766        2.76958        1.33133
C          7.57959        2.27741       -2.62761
C          6.47443        4.33027       -2.01822
H          4.69457        4.17922       -0.85479
C          4.16796        4.74608        3.50297
H          2.03718        4.95429        3.59184
H          6.26511        4.29578        3.21031
C          7.53008        3.64931       -2.66028
H          8.37411        1.73789       -3.13727
H          6.42338        5.41421       -2.07209
H          4.35223        5.42515        4.33055
H          8.29215        4.21226       -3.19162
98
l_ndi_rh_cod_8.log
C         -6.55973        2.83774        0.57096
C         -5.46451        1.88333        0.27419
C         -5.69060        0.79021       -0.58694
C         -6.95234        0.58338       -1.18060
C         -8.06127        1.52161       -0.89660
N         -7.79463        2.58341       -0.03091
C         -4.21964        2.06733        0.84935
C         -3.17680        1.17273        0.58510
C         -3.37551        0.09144       -0.25975
C         -4.63653       -0.11806       -0.85611
C         -4.86864       -1.21034       -1.71549
C         -6.11491       -1.38986       -2.29296
C         -7.15647       -0.49381       -2.02455
C         -2.28380       -0.85442       -0.51190
N         -2.55149       -1.94919       -1.32567
C         -3.78570       -2.16401       -2.00187
O         -9.17231        1.38956       -1.38875
O         -6.39251        3.79852        1.30750
C         -8.91439        3.49791        0.23565
C         -1.49926       -2.90887       -1.53623
O         -1.16955       -0.65898       -0.00090
O         -3.89906       -3.09702       -2.77300
C         -1.68260       -4.24804       -1.20724
C         -0.59904       -5.11355       -1.31980
C          0.65727       -4.63718       -1.68803
C          0.82586       -3.29213       -2.01092
C         -0.27515       -2.43873       -1.98400
C          2.18189       -2.73102       -2.33874
O          2.24072       -1.29984       -2.09178
H         -4.05792        2.91140        1.51137
H         -2.20653        1.32239        1.04662
H         -6.27977       -2.23465       -2.95364
H         -8.13245       -0.64051       -2.47545
H         -9.76438        2.93209        0.62486
H         -8.58862        4.23602        0.96586
H         -9.21514        3.99633       -0.69036
H         -2.64421       -4.60351       -0.85193
H         -0.72601       -6.16233       -1.06847
H          1.51154       -5.30950       -1.70191
H         -0.18008       -1.40230       -2.28784
H          2.41314       -2.82964       -3.40441
H          2.96383       -3.24636       -1.76896
Rh         0.61765       -1.57942        0.88912
C         -0.69434       -3.05618        1.96846
C         -0.76359       -1.89458        2.70452
C          1.99933       -1.30597        2.46863
C          2.12313       -2.62640        1.95321
C          0.17270       -4.24539        2.28426
H         -1.46701       -3.22546        1.21737
C         -0.01504       -1.65491        3.98942
H         -1.55834       -1.18833        2.46587
C          1.29472       -0.89480        3.73370
H          2.76729       -0.59344        2.16993
C          1.61750       -3.87396        2.66474
H          2.98121       -2.80036        1.30484
H          0.18988       -4.88449        1.39570
H         -0.29424       -4.84046        3.08383
H         -0.64667       -1.06126        4.65849
H          0.17504       -2.60589        4.49389
H          1.07981        0.17788        3.65262
H          1.98349       -1.00623        4.58610
H          1.71628       -3.73499        3.74639
H          2.27002       -4.71268        2.40274
P          2.09564       -0.72344       -0.58698
O          1.86551        0.82842       -1.06228
O          3.62938       -0.68900       -0.01373
C          2.12012        1.76835       -0.05417
C          4.59144        0.09616       -0.65639
C          1.01742        2.33491        0.60362
C          3.43125        2.09455        0.23080
C          4.52244        1.47206       -0.55358
C          5.61966       -0.57916       -1.33230
C          1.23591        3.25038        1.60051
H          0.01728        2.04008        0.30158
C          3.67075        2.99175        1.32023
C          5.50237        2.24188       -1.25807
C          6.60374        0.14971       -1.94779
H          5.61956       -1.66470       -1.34562
C          2.55418        3.58502        1.99497
H          0.39779        3.71123        2.11672
C          4.97428        3.28061        1.79517
C          6.56372        1.56483       -1.94245
C          5.44260        3.65524       -1.34446
H          7.41561       -0.35313       -2.46650
C          2.78876        4.48069        3.06715
C          5.16537        4.14283        2.84887
H          5.82988        2.80641        1.32585
C          7.54460        2.32406       -2.62655
C          6.40290        4.36073       -2.03028
H          4.62185        4.18492       -0.87222
C          4.06723        4.76094        3.48294
H          1.93294        4.93325        3.56189
H          6.17300        4.34550        3.20104
C          7.47206        3.69477       -2.66565
H          8.34990        1.79586       -3.13113
H          6.33375        5.44339       -2.08926
H          4.23620        5.44596        4.30889
H          8.22636        4.26808       -3.19702
98
l_ndi_rh_cod_9.log
C         -5.91012        3.30991       -0.26990
C         -4.89209        2.24331       -0.11705
C         -5.17524        1.09858        0.65546
C         -6.42307        0.94370        1.29253
C         -7.45657        1.99348        1.14990
N         -7.13520        3.10482        0.36944
C         -3.66133        2.37617       -0.73515
C         -2.68964        1.37833       -0.60459
C         -2.94501        0.24491        0.15277
C         -4.18974        0.09048        0.79832
C         -4.47452       -1.04745        1.57856
C         -5.70754       -1.17777        2.19699
C         -6.68213       -0.18390        2.05133
C         -1.93232       -0.80606        0.27057
N         -2.22305       -1.90726        1.06219
C         -3.45081       -2.08652        1.76507
O         -8.55188        1.91053        1.68596
O         -5.69055        4.31881       -0.92378
C         -8.18085        4.13033        0.24332
C         -1.19224       -2.88977        1.27879
O         -0.85101       -0.68266       -0.33118
O         -3.59972       -3.05307        2.48664
C         -1.40252       -4.23229        0.97451
C         -0.36889       -5.13559        1.19050
C          0.87988       -4.69617        1.63084
C          1.08292       -3.35106        1.92656
C          0.01812       -2.45561        1.79897
C          2.43313       -2.80744        2.28579
O          3.09477       -2.12072        1.16103
H         -3.45481        3.26293       -1.32500
H         -1.72929        1.49235       -1.09603
H         -5.91230       -2.05763        2.79808
H         -7.64708       -0.29050        2.53597
H         -7.81691        4.91190       -0.42067
H         -9.08830        3.67987       -0.16670
H         -8.40832        4.55134        1.22676
H         -2.35547       -4.56270        0.57473
H         -0.52704       -6.18830        0.97634
H          1.70000       -5.40169        1.73574
H          0.13243       -1.41683        2.09496
H          3.12789       -3.60329        2.55944
H          2.36428       -2.08527        3.10569
Rh         0.65560       -1.91081       -1.21650
C         -0.51545       -1.67340       -3.08445
C         -0.93915       -2.85485       -2.49643
C          1.68638       -3.67335       -1.78776
C          2.11841       -2.62146       -2.62458
C          0.46245       -1.54407       -4.22115
H         -1.09420       -0.77400       -2.86875
C         -0.52045       -4.23497       -2.94913
H         -1.81503       -2.80380       -1.84828
C          0.71319       -4.75164       -2.18331
H          2.35136       -3.95707       -0.96899
C          1.69095       -2.45549       -4.07369
H          3.08936       -2.19557       -2.38407
H          0.79269       -0.49990       -4.25210
H         -0.05248       -1.73608       -5.17540
H         -1.35284       -4.92544       -2.77889
H         -0.33706       -4.22755       -4.02732
H          0.38409       -5.25358       -1.26938
H          1.24488       -5.51150       -2.77752
H          1.50511       -3.44158       -4.51097
H          2.52188       -2.01909       -4.63747
P          2.30866       -1.14708        0.14056
O          3.68120       -0.56244       -0.54919
O          1.78301        0.14136        1.01417
C          3.55619        0.66607       -1.21059
C          2.70975        0.92146        1.71535
C          3.57351        0.66621       -2.61561
C          3.47651        1.82249       -0.45839
C          3.56588        1.74788        1.01663
C          2.66914        0.86109        3.11775
C          3.46314        1.85604       -3.28768
H          3.69085       -0.27021       -3.14925
C          3.27833        3.06027       -1.15038
C          4.53908        2.48598        1.76466
C          3.54442        1.62480        3.84533
H          1.93718        0.22034        3.59974
C          3.28919        3.07042       -2.58239
H          3.48829        1.87471       -4.37406
C          3.02544        4.27908       -0.47230
C          4.50860        2.43244        3.19564
C          5.56653        3.23882        1.14321
H          3.52051        1.60172        4.93161
C          3.10846        4.29587       -3.27000
C          2.83731        5.44828       -1.17064
H          2.96854        4.28483        0.61107
C          5.45926        3.17441        3.93892
C          6.48399        3.93451        1.89456
H          5.63547        3.25548        0.06059
C          2.89336        5.46366       -2.58044
H          3.13232        4.28914       -4.35694
H          2.63724        6.36978       -0.63102
C          6.42440        3.91679        3.30399
H          5.41549        3.13296        5.02450
H          7.26782        4.49880        1.39704
H          2.75097        6.39769       -3.11646
H          7.15232        4.47838        3.88254
41
rh_cod2_1.log
C          1.49100        0.49405       -1.58546
C          1.64671       -0.84949       -1.28741
C          1.49128       -0.49349        1.58517
C          1.64600        0.85024        1.28719
C          2.31220        1.63120       -1.03916
H          0.90004        0.74029       -2.46763
C          2.73718       -1.45104       -0.43115
H          1.09925       -1.55796       -1.90888
C          2.31339       -1.63001        1.03888
H          0.90073       -0.74020        2.46748
C          2.73602        1.45260        0.43090
H          1.09835        1.55830        1.90895
H          1.71451        2.54543       -1.13200
H          3.20179        1.78129       -1.66988
H          2.98468       -2.43629       -0.83926
H          3.64262       -0.84430       -0.50540
H          1.71637       -2.54468        1.13163
H          3.20304       -1.77947        1.66966
H          3.64192        0.84655        0.50521
H          2.98277        2.43805        0.83897
Rh         0.00011       -0.00033        0.00005
C         -1.49125       -0.49527       -1.58487
C         -1.64639        0.84862       -1.28812
C         -1.64622       -0.84869        1.28823
C         -1.49092        0.49520        1.58496
C         -2.31283       -1.63158       -1.03737
H         -0.90047       -0.74262       -2.46684
C         -2.73647        1.45142       -0.43225
H         -1.09880        1.55629       -1.91038
C         -2.73651       -1.45143        0.43256
H         -1.09868       -1.55638        1.91052
C         -2.31247        1.63158        1.03758
H         -0.90015        0.74247        2.46696
H         -1.71548       -2.54612       -1.12936
H         -3.20252       -1.78198       -1.66786
H         -2.98361        2.43640       -0.84122
H         -3.64217        0.84500       -0.50584
H         -3.64218       -0.84498        0.50636
H         -2.98360       -2.43641        0.84156
H         -1.71500        2.54605        1.12941
H         -3.20201        1.78209        1.66826
41
rh_cod2_2.log
C          1.48460       -1.28298       -1.04574
C          1.63203       -1.52635        0.31040
C          1.48420        1.28368        1.04568
C          1.63169        1.52713       -0.31039
C          2.30032       -0.34754       -1.89258
H          0.86564       -1.97958       -1.61174
C          2.72449       -0.95361        1.18814
H          1.11516       -2.40085        0.70421
C          2.30026        0.34857        1.89258
H          0.86475        1.97990        1.61161
C          2.72435        0.95464       -1.18801
H          1.11432        2.40126       -0.70438
H          1.70445       -0.09973       -2.77889
H          3.18792       -0.88474       -2.26356
H          2.97193       -1.69209        1.95719
H          3.63276       -0.80167        0.59992
H          1.70455        0.10075        2.77899
H          3.18779        0.88601        2.26336
H          3.63257        0.80274       -0.59970
H          2.97180        1.69320       -1.95698
Rh        -0.00012       -0.00005       -0.00020
C         -1.48511        1.28222       -1.04642
C         -1.63236        1.52662        0.30952
C         -1.63128       -1.52710       -0.30915
C         -1.48367       -1.28263        1.04684
C         -2.30121        0.34630       -1.89240
H         -0.86601        1.97823       -1.61300
C         -2.72464        0.95433        1.18774
H         -1.11529        2.40125        0.70276
C         -2.72441       -0.95568       -1.18696
H         -1.11424       -2.40177       -0.70238
C         -2.29988       -0.34714        1.89316
H         -0.86440       -1.97860        1.61327
H         -1.70585        0.09825       -2.77897
H         -3.18919        0.88314       -2.26298
H         -2.97232        1.69335        1.95619
H         -3.63287        0.80157        0.59966
H         -3.63260       -0.80391       -0.59855
H         -2.97164       -1.69484       -1.95542
H         -1.70410       -0.09842        2.77927
H         -3.18716       -0.88461        2.26452
41
rh_cod2_3.log
C          1.49534        0.36659       -1.61955
C          1.63635       -0.95171       -1.21575
C          1.49576       -0.36610        1.61943
C          1.63636        0.95221        1.21558
C          2.31947        1.54161       -1.16556
H          0.91635        0.53893       -2.52635
C          2.72923       -1.48724       -0.31897
H          1.07773       -1.69885       -1.78075
C          2.32016       -1.54088        1.16531
H          0.91686       -0.53861        2.52625
C          2.72896        1.48795        0.31859
H          1.07754        1.69923        1.78053
H          1.72496        2.44620       -1.33993
H          3.21520        1.63730       -1.79807
H          2.97145       -2.50353       -0.64623
H          3.63491       -0.88992       -0.44998
H          1.72602       -2.44566        1.33996
H          3.21612       -1.63620        1.79756
H          3.63476        0.89075        0.44933
H          2.97113        2.50425        0.64585
Rh         0.00620       -0.00005        0.00001
C         -1.62677       -0.35885       -1.52082
C         -1.49490        1.00462       -1.31447
C         -1.49468       -1.00488        1.31486
C         -1.62671        0.35855        1.52123
C         -2.72374       -1.21551       -0.92566
H         -1.09828       -0.77974       -2.37638
C         -2.31632        1.87334       -0.40467
H         -0.88307        1.56147       -2.02359
C         -2.31608       -1.87371        0.40516
H         -0.88252       -1.56160        2.02381
C         -2.72382        1.21507        0.92617
H         -1.09805        0.77956        2.37662
H         -2.96774       -2.00958       -1.63837
H         -3.63069       -0.61805       -0.80229
H         -1.72843        2.77444       -0.19450
H         -3.21151        2.21466       -0.94901
H         -3.21120       -2.21512        0.94957
H         -1.72811       -2.77476        0.19497
H         -2.96787        2.00910        1.63890
H         -3.63071        0.61749        0.80284
41
rh_cod2_4.log
C          1.51775       -0.49745       -1.58221
C          1.67397        0.84523       -1.29220
C          1.51784        0.49760        1.58211
C          1.67408       -0.84508        1.29209
C          2.32574       -1.63767       -1.03054
H          0.92381       -0.74848       -2.46002
C          2.76054        1.45253       -0.43306
H          1.15255        1.54589       -1.94133
C          2.32574        1.63784        1.03037
H          0.92399        0.74862        2.45998
C          2.76061       -1.45236        0.43287
H          1.15277       -1.54575        1.94131
H          3.20695       -1.79826       -1.67158
H          1.71844       -2.54654       -1.11499
H          3.66869        0.84870       -0.49884
H          3.00848        2.43602       -0.84499
H          3.20698        1.79849        1.67136
H          1.71840        2.54669        1.11483
H          3.00858       -2.43586        0.84477
H          3.66876       -0.84853        0.49862
Rh        -0.00012       -0.00002        0.00002
C         -1.67586       -0.28348       -1.51806
C         -1.51821        1.06720       -1.26865
C         -1.51809       -1.06713        1.26886
C         -1.67570        0.28355        1.51828
C         -2.76103       -1.17605       -0.95841
H         -1.15703       -0.67894       -2.38895
C         -2.32392        1.90898       -0.32067
H         -0.92521        1.63588       -1.98384
C         -2.32392       -1.90890        0.32095
H         -0.92504       -1.63581        1.98399
C         -2.76091        1.17613        0.95873
H         -1.15679        0.67901        2.38911
H         -3.00815       -1.92588       -1.71674
H         -3.67008       -0.59493       -0.78706
H         -1.71448        2.77882       -0.04863
H         -3.20385        2.30611       -0.85113
H         -3.20380       -2.30601        0.85150
H         -1.71452       -2.77876        0.04886
H         -3.00796        1.92596        1.71709
H         -3.66999        0.59502        0.78746
