89
1-Li (exo-isomer)
Rh    0.0279472    1.2525270    0.5274778 
Cl    0.3573321    2.1927760   -1.6530603 
P    -2.2683743    1.3353259    0.0118445 
P     2.3650279    0.9312493    0.6475887 
O    -0.4466813    0.0518301    3.2304522 
C    -3.4173572    0.4327794    1.1478833 
N     1.9911064   -0.6587538   -1.5394643 
N    -1.8077327   -0.6644278   -1.7894128 
C    -2.5273189    0.4665577   -1.6264128 
N    -0.1353075   -3.0228209    0.2646805 
C     5.0369610    4.7426487    1.0070620 
H     5.6593023    5.6489688    1.0873342 
C     2.9101726    0.1427119   -0.9597271 
N     0.1882834   -2.5570482   -2.4758316 
C     5.4708138    3.5380392    1.5868105 
H     6.4334937    3.4955117    2.1223056 
C     3.0014108   -0.2208384    1.9439975 
C     2.8709635    0.1615236    3.2992466 
H     2.4207167    1.1333580    3.5618365 
C     1.0965516   -1.9194913   -3.4315054 
H     0.5103141   -1.1525453   -3.9884820 
H     1.4880763   -2.6355232   -4.1987631 
C    -0.8222945   -4.5253831    2.0317422 
H    -1.2036086   -4.6469424    3.0575473 
C    -0.2558145    0.5262001    2.1793379 
C    -4.4776220    3.1318040    0.0234987 
H    -5.0963374    2.2652920    0.3076871 
C     3.3232853   -0.6863087    4.3216617 
H     3.2205783   -0.3733089    5.3734806 
C    -3.0847759    2.9842530   -0.1765111 
C     3.9020942   -1.9288402    4.0062260 
H     4.2564242   -2.5938622    4.8106008 
C    -3.4192166    0.9381667   -2.6072420 
H    -3.9841183    1.8693627   -2.4482683 
C    -0.6035644   -3.2406155    1.5091173 
H    -0.8088953   -2.3435089    2.1177793 
C    -3.5672094    0.9379248    2.4601549 
H    -3.0185216    1.8424739    2.7731523 
C     3.0051707    3.6408093    0.2322307 
H     2.0452719    3.6740855   -0.3086117 
C     4.1540457    0.4156155   -1.5541419 
H     4.8779269    1.0796231   -1.0576264 
C    -1.1835162   -2.7010843   -2.9797374 
H    -1.7048357   -3.4326896   -2.3217153 
H    -1.2182505   -3.1249023   -4.0147032 
C     4.6773235    2.3820832    1.4927289 
H     5.0256141    1.4463609    1.9587396 
C    -5.0816703    4.3907691   -0.1275766 
H    -6.1671783    4.4969350    0.0331033 
C    -2.9211707    5.3680192   -0.6704002 
H    -2.3074782    6.2432269   -0.9391713 
C     0.1371228   -4.0904855   -0.5221814 
C    -4.4219005    0.3014384    3.3723359 
H    -4.5327318    0.7092185    4.3902936 
C    -4.3051191    5.5106399   -0.4728293 
H    -4.7812636    6.4987759   -0.5837567 
C    -0.5496278   -5.6327799    1.2148893 
H    -0.7157057   -6.6590048    1.5815915 
C    -5.1323296   -0.8507289    2.9900588 
H    -5.8051243   -1.3489627    3.7070367 
C     3.5830678   -1.4684411    1.6340943 
H     3.6976571   -1.7848114    0.5854334 
C    -0.0661967   -5.4122275   -0.0846520 
H     0.1545278   -6.2580558   -0.7560056 
C     3.4382927    2.4269828    0.8128862 
C    -3.5582768    0.2005791   -3.7936153 
H    -4.2336670    0.5510684   -4.5911411 
C     4.4409831   -0.1687109   -2.7992779 
H     5.4092463    0.0172134   -3.2923665 
C    -4.9829781   -1.3617828    1.6908021 
H    -5.5395603   -2.2623331    1.3827723 
C    -4.1304470   -0.7245503    0.7710143 
H    -4.0314853   -1.1374158   -0.2448337 
C    -1.9612896   -1.3924659   -2.9181276 
C     4.0292622   -2.3173634    2.6627400 
H     4.4859815   -3.2878388    2.4079700 
C    -2.8248770   -0.9849189   -3.9527035 
H    -2.9151985   -1.5872356   -4.8709419 
C     3.4730038   -0.9737202   -3.4145753 
H     3.6565225   -1.4226285   -4.4042704 
C     0.7336391   -3.7866392   -1.8896727 
H     1.8287709   -3.6311795   -1.7565657 
H     0.6222024   -4.6716506   -2.5660345 
C     2.2463998   -1.1852817   -2.7541027 
C     3.8064860    4.7899241    0.3289268 
H     3.4616496    5.7324544   -0.1267889 
C    -2.3086823    4.1126928   -0.5226956 
H    -1.2266581    3.9965520   -0.6936072 
Li    0.0309457   -1.1762442   -0.7810435 

89
1-Li (endo-isomer)
Rh         0.02795        1.25253        0.52748
C          0.32087        1.80342       -1.19983
P         -2.26837        1.33533        0.01184
P          2.36503        0.93125        0.64759
C         -3.41736        0.43278        1.14788
N          1.99111       -0.65875       -1.53946
N         -1.80773       -0.66443       -1.78941
C         -2.52732        0.46656       -1.62641
N         -0.13531       -3.02282        0.26468
C          5.03696        4.74265        1.00706
H          5.65930        5.64897        1.08733
C          2.91017        0.14271       -0.95973
N          0.18828       -2.55705       -2.47583
C          5.47081        3.53804        1.58681
H          6.43349        3.49551        2.12231
C          3.00141       -0.22084        1.94400
C          2.87096        0.16152        3.29925
H          2.42072        1.13336        3.56184
C          1.09655       -1.91949       -3.43151
H          0.51031       -1.15255       -3.98848
H          1.48808       -2.63552       -4.19876
C         -0.82229       -4.52538        2.03174
H         -1.20361       -4.64694        3.05755
Cl        -0.37362        0.05611        2.74293
C         -4.47762        3.13180        0.02350
H         -5.09634        2.26529        0.30769
C          3.32329       -0.68631        4.32166
H          3.22058       -0.37331        5.37348
C         -3.08478        2.98425       -0.17651
C          3.90209       -1.92884        4.00623
H          4.25642       -2.59386        4.81060
C         -3.41922        0.93817       -2.60724
H         -3.98412        1.86936       -2.44827
C         -0.60356       -3.24062        1.50912
H         -0.80890       -2.34351        2.11778
C         -3.56721        0.93792        2.46015
H         -3.01852        1.84247        2.77315
C          3.00517        3.64081        0.23223
H          2.04527        3.67409       -0.30861
C          4.15405        0.41562       -1.55414
H          4.87793        1.07962       -1.05763
C         -1.18352       -2.70108       -2.97974
H         -1.70484       -3.43269       -2.32172
H         -1.21825       -3.12490       -4.01470
C          4.67732        2.38208        1.49273
H          5.02561        1.44636        1.95874
C         -5.08167        4.39077       -0.12758
H         -6.16718        4.49693        0.03310
C         -2.92117        5.36802       -0.67040
H         -2.30748        6.24323       -0.93917
C          0.13712       -4.09049       -0.52218
C         -4.42190        0.30144        3.37234
H         -4.53273        0.70922        4.39029
C         -4.30512        5.51064       -0.47283
H         -4.78126        6.49878       -0.58376
C         -0.54963       -5.63278        1.21489
H         -0.71571       -6.65900        1.58159
C         -5.13233       -0.85073        2.99006
H         -5.80512       -1.34896        3.70704
C          3.58307       -1.46844        1.63409
H          3.69766       -1.78481        0.58543
C         -0.06620       -5.41223       -0.08465
H          0.15453       -6.25806       -0.75601
C          3.43829        2.42698        0.81289
C         -3.55828        0.20058       -3.79362
H         -4.23367        0.55107       -4.59114
C          4.44098       -0.16871       -2.79928
H          5.40925        0.01721       -3.29237
C         -4.98298       -1.36178        1.69080
H         -5.53956       -2.26233        1.38277
C         -4.13045       -0.72455        0.77101
H         -4.03149       -1.13742       -0.24483
C         -1.96129       -1.39247       -2.91813
C          4.02926       -2.31736        2.66274
H          4.48598       -3.28784        2.40797
C         -2.82488       -0.98492       -3.95270
H         -2.91520       -1.58724       -4.87094
C          3.47300       -0.97372       -3.41458
H          3.65652       -1.42263       -4.40427
C          0.73364       -3.78664       -1.88967
H          1.82877       -3.63118       -1.75657
H          0.62220       -4.67165       -2.56603
C          2.24640       -1.18528       -2.75410
C          3.80649        4.78992        0.32893
H          3.46165        5.73245       -0.12679
C         -2.30868        4.11269       -0.52270
H         -1.22666        3.99655       -0.69361
Li         0.03095       -1.17624       -0.78104
O          0.53084        2.20628       -2.34494

89
1-Zn
Rh   -1.1267216    0.5660517   -0.1063976 
Zn    1.1741507   -0.5573146   -0.2696896 
Cl   -0.7541069    0.7110288   -2.4557919 
P    -2.0119243   -1.6240240   -0.4362445 
N     2.0951272   -1.3234802    1.4739684 
O    -1.5401980    0.4571695    2.8671166 
C     4.0642700   -0.3457391   -1.1773156 
C    -2.0756490   -2.7417928    1.0251468 
C    -1.2638195   -3.8920400    1.1374652 
C    -1.3515207   -4.7095274    2.2784483 
C    -2.2479492   -4.3883420    3.3112105 
C    -3.0606116   -3.2448528    3.2034175 
C    -2.9755332   -2.4223087    2.0693167 
C     2.7048091   -1.9407306   -2.4723346 
C     1.7687428   -0.9995273    2.7455076 
C    -3.6727088   -1.7368539   -1.2150835 
C    -4.0579590   -0.7529883   -2.1564352 
C    -5.3151877   -0.8337332   -2.7758610 
C    -6.1944360   -1.8850257   -2.4609211 
C    -5.8146695   -2.8633667   -1.5251194 
C    -4.5591855   -2.7941338   -0.8989279 
C    -0.8582037   -2.4898753   -1.6241502 
C     3.9399460   -2.6341551    2.3027636 
C     4.0847180    2.0307550   -2.1370724 
N     0.4372154   -2.0939436   -1.5835865 
P     0.0230162    2.6419696    0.0139030 
C    -0.7956138    4.1312987   -0.6876107 
C    -0.4663874    5.4218551   -0.2052009 
C    -1.0864685    6.5542510   -0.7572664 
C    -2.0412418    6.4111387   -1.7797114 
C    -2.3741949    5.1311809   -2.2553374 
C    -1.7570369    3.9915162   -1.7149905 
C     0.9533499   -3.5465144   -3.4290357 
C    -0.3770395   -3.9875912   -3.4600768 
C    -1.3030128   -3.4417843   -2.5539035 
C     1.3252002   -2.5802114   -2.4776215 
C     3.1628803   -2.1326707    1.2465987 
C     3.5973224   -2.3037684    3.6240022 
C     2.4896120   -1.4722637    3.8496442 
N     2.2151069    1.2219137   -0.8575470 
C     3.4258805    1.0141323   -1.4249955 
C     1.6304716    2.4435991   -0.9238043 
C     3.4747570    3.2898044   -2.2397214 
C     0.5836641    3.1686306    1.6907556 
C     1.9381318    3.1671641    2.0892279 
C     2.2910452    3.5727127    3.3891002 
C     1.3003109    3.9804269    4.2973063 
C    -0.0509191    3.9813317    3.9056818 
C    -0.4106870    3.5761721    2.6114479 
C     2.2365477    3.5064342   -1.6122826 
N     3.0708411   -1.4374069   -1.1363887 
C     3.4307788   -2.5194716   -0.1982973 
C    -1.3826161    0.4906379    1.7154911 
H    -3.6303082   -1.5381704    1.9942992 
H    -3.7721410   -2.9926550    4.0061041 
H    -2.3212800   -5.0350444    4.2003273 
H    -0.7233711   -5.6120237    2.3522096 
H    -0.5696734   -4.1713753    0.3288370 
H    -4.2788605   -3.5621789   -0.1607270 
H    -6.5026754   -3.6868310   -1.2744612 
H    -7.1832160   -1.9403885   -2.9443693 
H    -5.6113302   -0.0655406   -3.5081676 
H    -3.3679318    0.0664601   -2.4130724 
H    -2.0106640    2.9924766   -2.1010511 
H    -3.1247814    5.0155051   -3.0536057 
H    -2.5317269    7.3025053   -2.2033118 
H    -0.8265890    7.5556844   -0.3777393 
H     0.2653958    5.5491532    0.6085113 
H    -1.4733583    3.5945425    2.3163343 
H    -0.8325511    4.3059831    4.6112952 
H     1.5810745    4.3062593    5.3118625 
H     3.3520801    3.5824183    3.6872465 
H     2.7324039    2.8666825    1.3882984 
H     1.6950668   -3.9328864   -4.1461182 
H    -0.6969920   -4.7424407   -4.1965900 
H    -2.3617850   -3.7431185   -2.5745826 
H     5.0615531    1.8351904   -2.6073680 
H     3.9626035    4.1013835   -2.8035634 
H     1.7384783    4.4868196   -1.6627602 
H     0.8988207   -0.3385827    2.8786511 
H     4.8052273   -3.2818685    2.0897255 
H     4.1940959   -2.6887355    4.4667250 
H     2.1841959   -1.1836330    4.8669538 
H     4.8672498   -0.5426636   -1.9245477 
H     4.5625912   -0.3064590   -0.1819827 
H     3.4684142   -2.6456343   -2.8788375 
H     2.6716506   -1.0674508   -3.1641690 
H     4.4892892   -2.8473049   -0.3244440 
H     2.7967504   -3.4018157   -0.4447098 

89
1-Cu
Rh         0.02092        1.28369        0.53434
Cu         0.05199       -1.08924       -0.80089
Cl         0.35604        2.26455       -1.63168
P         -2.26122        1.34531        0.00655
P          2.34246        0.93471        0.63619
C         -0.26001        0.64760        2.22428
O         -0.44609        0.24788        3.30685
C         -3.40202        0.40362        1.11908
N          1.93658       -0.62016       -1.58239
N         -1.73068       -0.62748       -1.82106
C         -2.48335        0.48756       -1.63772
N         -0.05741       -2.87235        0.24962
C          5.09160        4.68476        1.04664
H          5.73137        5.57784        1.13792
C          2.86699        0.16220       -0.97965
N          0.19880       -2.59574       -2.54835
C          5.51769        3.45707        1.58231
H          6.49130        3.38372        2.09425
C          2.95863       -0.25573        1.90749
C          2.89004        0.12497        3.26752
H          2.50559        1.11972        3.54775
C          1.10216       -1.93058       -3.48192
H          0.50269       -1.17325       -4.03780
H          1.52659       -2.62593       -4.25035
C         -0.71821       -4.26661        2.11317
H         -1.06832       -4.32266        3.15546
C         -4.51112        3.09530        0.00510
H         -5.11707        2.21387        0.27039
C          3.32227       -0.75422        4.27223
H          3.26985       -0.44185        5.32794
C         -3.11292        2.97670       -0.17549
C          3.81815       -2.02619        3.93421
H          4.15818       -2.71507        4.72457
C         -3.40914        0.93267       -2.59764
H         -3.99018        1.85056       -2.42012
C         -0.48909       -3.01560        1.52226
H         -0.65256       -2.08489        2.08840
C         -3.59832        0.90450        2.42682
H         -3.09389        1.83135        2.74832
C          3.02436        3.63965        0.28785
H          2.05319        3.70347       -0.22962
C          4.13101        0.39592       -1.54571
H          4.85620        1.04330       -1.02940
C         -1.18451       -2.70631       -3.00581
H         -1.70365       -3.41784       -2.32384
H         -1.26882       -3.13581       -4.03574
C          4.70254        2.31761        1.47370
H          5.04487        1.36324        1.90533
C         -5.13676        4.34430       -0.14127
H         -6.22631        4.42843        0.00416
C         -2.98709        5.36832       -0.64067
H         -2.38642        6.25803       -0.89057
C          0.16990       -3.99045       -0.49103
C         -4.44462        0.23510        3.32330
H         -4.59281        0.64013        4.33762
C         -4.37645        5.48226       -0.46302
H         -4.86973        6.46231       -0.57102
C         -0.49788       -5.42227        1.34963
H         -0.67498       -6.42391        1.77372
C         -5.09986       -0.94577        2.93001
H         -5.76684       -1.46911        3.63441
C          3.45418       -1.53416        1.57492
H          3.51645       -1.85045        0.52201
C         -0.04942       -5.27739        0.02617
H          0.13506       -6.16070       -0.60680
C          3.44959        2.40280        0.82377
C         -3.57203        0.19228       -3.77790
H         -4.27378        0.52854       -4.55809
C          4.44394       -0.20346       -2.77562
H          5.42909       -0.04343       -3.24281
C         -4.90313       -1.45311        1.63560
H         -5.41605       -2.37614        1.31867
C         -4.05881       -0.78323        0.73159
H         -3.92235       -1.19307       -0.28106
C         -1.93228       -1.37874       -2.93565
C          3.88094       -2.41369        2.58581
H          4.27253       -3.40753        2.31329
C         -2.83325       -0.99009       -3.94047
H         -2.95071       -1.61192       -4.84256
C          3.47641       -1.00196       -3.40194
H          3.67767       -1.47503       -4.37692
C          0.74055       -3.78354       -1.89063
H          1.83942       -3.63091       -1.78946
H          0.60760       -4.71554       -2.49546
C          2.22810       -1.18055       -2.78174
C          3.84718        4.77221        0.39872
H          3.50873        5.73301       -0.02222
C         -2.35299        4.12334       -0.49686
H         -1.26629        4.02929       -0.65098

