75
tBu-10
C  -1.90044 -0.93186  1.90629
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75
tBu-TS(10-11'')1
C  -2.27615 -0.50481  1.71895
C  -1.58852 -1.72462  1.36150
C  -2.08998 -2.15464  0.08119
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C   3.29479 -1.67172 -0.65275
C   4.39672 -1.68132 -1.73464
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C  -4.40696  0.75057  0.81856
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P  -1.22047  2.22306 -0.56495
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C   3.98345  1.18934  0.66250
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C   3.89802  0.89390  2.17632
C   5.41697  0.95911  0.14327
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H  -0.46414  3.09116  1.59862
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H  -1.29242  4.37811  0.64595
C  -0.61691 -0.35375 -2.36475
H  -1.51438  0.10684 -2.80301
H   0.25835  0.10188 -2.85926
H  -0.61270 -1.43307 -2.57076
H   0.15248 -0.22619 -1.10790
H   0.97138  1.37029  1.11160
75
tBu-INT(10-1''1)
C  -2.09511 -0.52098  1.70054
C  -1.50176 -1.78479  1.27200
C  -2.12302 -2.13306  0.03302
C  -3.22910 -1.19827 -0.24000
C  -3.23527 -0.23158  0.79162
Rh -1.14292 -0.03746 -0.16507
B   0.87641  0.35054  0.70096
P   2.60546  0.08331 -0.25757
C   3.16136 -1.73045 -0.56269
C   4.26210 -1.83347 -1.64130
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C  -4.20620 -1.33502 -1.37362
C  -4.29094  0.80405  1.05146
C  -1.85956  0.12015  3.03720
P  -1.17282  2.25030 -0.51792
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C  -1.19928  3.36632  0.97063
C   0.18898  2.98432 -1.55536
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C   3.63674  2.63949  0.20883
C   3.92238  0.98549  2.09400
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H   1.01730  1.50812  1.06537
75
tBu-TS(10-11'')2
C  -2.13242 -0.53258  1.70190
C  -1.51565 -1.79114  1.28583
C  -2.09453 -2.13053  0.02532
C  -3.19826 -1.19964 -0.27908
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Rh -1.11859 -0.02005 -0.10621
B   0.87683  0.36246  0.76610
P   2.57956  0.08451 -0.23103
C   3.09643 -1.73528 -0.56280
C   4.17031 -1.84935 -1.66680
C  -0.59172 -2.62825  2.12039
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C  -4.13421 -1.33605 -1.44664
C  -4.31369  0.78685  0.99174
C  -1.94874  0.10320  3.04805
P  -1.15097  2.26163 -0.50078
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70
tBu-11''
Rh -1.00276 -0.02416 -0.04636
C  -2.69017 -1.58224 -0.65586
C  -3.34115 -0.46153 -0.10041
C  -2.73394 -0.22937  1.22697
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H  -0.03133  4.40928  0.50956
70
tBu-TS(11''-11)
Rh -1.19274 -0.07129 -0.13097
C  -3.07586 -1.18950 -0.93488
C  -3.56693 -0.21439 -0.03816
C  -2.84015 -0.40353  1.22480
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H  -4.64774  1.15195 -1.33916
H  -4.61190  1.64593  0.37217
C  -3.09315  0.35498  2.49329
H  -3.38876  1.39760  2.29780
H  -2.20700  0.36002  3.14715
H  -3.91977 -0.11950  3.05672
C  -1.46356 -2.39651  2.30501
H  -2.19381 -3.09532  2.75435
H  -1.13846 -1.69973  3.09276
H  -0.58623 -2.98243  1.99060
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H   1.26670  2.50043 -1.55710
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70
tBu-11
C  -2.07785 -1.66683  1.05558
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C  -2.93226 -1.27177 -1.10438
C  -3.51075 -0.29708 -0.24979
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H  -0.03492  4.01499  1.54226
H   0.21587 -0.20997 -1.33849
70
tBu-TS(11-11')
C  -2.13586 -1.46628  1.35751
C  -1.93081 -2.15082  0.10354
C  -2.75718 -1.49151 -0.91288
C  -3.44911 -0.41014 -0.29310
C  -3.01974 -0.34653  1.10469
Rh -1.09739 -0.06080 -0.12384
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C   3.41536 -0.55184 -1.62618
C   4.92973 -0.26736 -1.67643
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C  -4.54313  0.40589 -0.92577
C  -3.61259  0.54080  2.16616
C  -1.62446 -1.90837  2.70100
P  -0.86846  2.23092 -0.30552
C  -2.44983  3.20970 -0.45978
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C   0.05833  2.86986 -1.79259
C   3.59787  0.06439  1.57505
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C   4.04336 -1.39560  1.80568
C   4.81188  1.01778  1.55348
C   3.13429 -2.06996 -1.65669
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H  -0.06808  4.23026  0.94091
H  -0.10267 -0.19360 -1.37883
70
tBu-11'
C  -1.70148 -2.01303  0.82499
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C  -3.31182 -0.77178 -0.34957
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C   3.71942  1.03494  0.99974
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C   4.76868 -1.32368 -1.41394
C   4.88000  1.73691  0.26415
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H  -1.16458  4.42412  0.29948
H  -0.30930 -0.23763 -1.52337
70
tBu-TS(11''-9')1
C  -1.82204 -1.59427 -1.21709
C  -2.58383 -0.38140 -0.98308
C  -2.92034 -0.34175  0.46735
C  -2.26622 -1.42405  1.09564
C  -1.60890 -2.21469  0.05319
Rh -0.66510  0.08812 -0.09168
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P   2.06971 -0.10270 -0.27975
C   3.61363  1.12643 -0.14092
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C  -3.32192  0.34579 -2.07422
C  -3.99069  0.51131  1.08638
C  -2.35957 -1.82673  2.54157
C  -1.13974 -3.62508  0.26902
C  -1.55793 -2.20218 -2.56512
P  -0.92344  2.37418  0.27870
C  -2.21753  3.29297 -0.70627
C  -1.41026  2.72173  2.05134
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C   2.44972 -1.90556  0.40655
C   2.05811 -2.87533 -0.72669
C   3.91601 -2.18958  0.79475
C   1.59981 -2.08768  1.68055
C   4.88573  0.39005 -0.63450
C   3.40137  2.29486 -1.12312
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H  -1.62181  3.79503  2.19155
H   1.01694  1.33038 -2.20840
70
tBu-INT(11''-9')
C  -1.27055 -2.15169 -0.69568
C  -2.42390 -1.37424 -0.35533
C  -2.36296 -1.04287  1.07227
C  -1.14563 -1.60844  1.59507
C  -0.48274 -2.31034  0.51582
Rh -0.59851  0.03194  0.11568
B   0.74494  1.19765 -1.60474
P   1.81212  0.41595 -0.28470
C   2.65758  1.43774  1.13615
C   1.89185  2.76022  1.31901
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C  -0.76665 -1.67969  3.04963
C   0.59074 -3.33261  0.76045
C  -1.09079 -2.86705 -2.01006
P  -1.70456  2.00391 -0.60957
C  -2.19030  2.15052 -2.40460
C  -3.38413  2.19568  0.19726
C  -1.08676  3.70685 -0.15816
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C   2.24980 -1.77357 -2.05481
C   4.05040 -0.07057 -1.94792
C   3.78442 -1.72438 -0.04222
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H  -3.81759  3.15786 -0.12122
H   0.60665  2.38625 -1.62831
70
tBu-TS(11''-6)2
C   1.23613 -1.92431  1.08628
C   2.41492 -1.36932  0.49754
C   2.25132 -1.33530 -0.95744
C   0.96317 -1.90569 -1.26012
C   0.33171 -2.26029 -0.00095
Rh  0.60902  0.05800 -0.19928
B  -0.87271  2.03033  0.56572
P  -1.80132  0.49628  0.07847
C  -2.83489  0.60963 -1.56364
C  -2.04480  1.43370 -2.59895
C   3.69134 -1.15906  1.26415
C   3.33013 -1.12655 -1.98676
C   0.51721 -2.32565 -2.63456
C  -0.86250 -3.16377  0.11393
C   1.13858 -2.34996  2.52747
P   1.85051  2.05358  0.24647
C   2.21320  2.43073  2.03638
C   3.58405  1.88975 -0.44621
C   1.49738  3.74458 -0.47445
C  -2.85537 -0.10224  1.61465
C  -1.86408 -0.49823  2.72281
C  -3.67889  1.11373  2.11093
C  -3.80625 -1.27551  1.30519
C  -3.09400 -0.80081 -2.12925
C  -4.17462  1.33031 -1.28486
H   4.19387 -0.57325 -1.59386
H   2.95628 -0.59112 -2.87379
H   3.70300 -2.10892 -2.33286
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H   3.00298  3.19668  2.10242
H   2.55061  1.51578  2.54687
H   1.30046  2.79427  2.52840
H   3.52924  1.76618 -1.53792
H   4.10906  1.03500 -0.00630
H   4.14741  2.80855 -0.21602
H  -0.79919  2.88474 -0.26333
70
tBu-INT(11''-6)2
C   0.95930 -1.66211  1.46606
C   2.23773 -1.19136  1.06896
C   2.40905 -1.45794 -0.36855
C   1.22696 -2.14166 -0.83200
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70
tBu-TS(11''-6)2'
C   1.00111 -1.40137  1.68984
C   2.27395 -1.02213  1.17777
C   2.39836 -1.53062 -0.19549
C   1.21005 -2.30090 -0.48347
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70
tBu-6
C   2.92583 -0.06674 -0.58210
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C   3.90135  0.91167 -1.17956
P   0.56965  2.29705  0.46022
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70
tBu-6'
C   0.70073 -1.61052  1.52645
C   1.93303 -0.87982  1.45194
C   2.58399 -1.21797  0.17583
C   1.73114 -2.14333 -0.51786
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C   4.01437 -0.93783 -0.19200
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P   1.71425  2.00290 -0.52532
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H   3.43886  3.48680  0.39070
H  -1.25154  0.19027 -2.94371
70
tBu-TS(11''-6)3
C  -2.21753 -1.42854  0.93639
C  -1.77986 -2.10290 -0.26923
C  -2.36435 -1.39457 -1.39433
C  -3.23801 -0.34871 -0.89211
C  -3.14007 -0.36474  0.53824
Rh -0.97178  0.00925 -0.26439
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P   2.31674  0.07029 -0.01169
C   3.81804  0.63200 -1.18453
C   5.09152  0.98845 -0.40050
C  -1.07957 -3.43050 -0.35215
C  -2.21657 -1.78977 -2.83445
C  -4.14252  0.50314 -1.73799
C  -4.00274  0.39420  1.50829
C  -2.01856 -1.90119  2.34700
P  -0.82927  2.23274  0.53379
C  -2.33405  3.25981  0.12893
C  -0.64835  2.47308  2.37282
C   0.51553  3.32168 -0.13515
C   2.90177 -1.19548  1.33388
C   1.64907 -1.81218  1.98805
C   3.77416 -2.32666  0.75168
C   3.67765 -0.41012  2.41708
C   4.08311 -0.49716 -2.20208
C   3.31282  1.87899 -1.93890
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70
tBu-INT(11''-6)
C   2.81848 -1.31188 -0.81293
C   1.92013 -2.21780 -0.10072
C   1.87129 -1.80227  1.27302
C   2.75249 -0.64009  1.43590
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C  -4.90989  1.14500  1.34850
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C   3.09845  0.01181  2.74362
C   4.53243  0.53647 -0.09520
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P   1.19059  2.15212 -0.69998
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C  -4.17233 -2.17661 -0.33513
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H   1.97782  3.38199 -2.69472
H  -0.37974  0.21088  0.89921
70
tBu-TS(11''-6)4
C  -3.14809 -0.00710  0.93833
C  -2.46273 -1.14724  1.53390
C  -2.09073 -2.04056  0.47210
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C  -3.23480 -0.24639 -0.51273
Rh -1.09316  0.01181  0.16607
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P   2.41995 -0.06549  0.09395
C   2.84369 -1.41213 -1.23727
C   4.03423 -0.95463 -2.10618
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C  -2.48091 -2.15735 -2.12925
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C   4.91153 -0.48396  1.47645
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H   4.19577 -1.69400 -2.91188
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70
tBu-TS(11''-9')2
C  -1.68594 -1.96082 -0.92236
C  -2.73351 -1.11352 -0.39549
C  -2.53345 -0.92992  1.01890
C  -1.34173 -1.68262  1.38747
C  -0.84606 -2.34548  0.17550
Rh -0.57173 -0.06478  0.18551
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P   1.71739  0.20494 -0.12594
C   2.80840  0.62285  1.42889
C   2.16792  1.79504  2.19630
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C  -3.50649 -0.33094  1.99999
C  -0.93576 -2.02885  2.79399
C   0.15513 -3.46618  0.18416
C  -1.68361 -2.52250 -2.31878
P  -1.04293  2.53517 -0.50010
C  -0.86683  3.83668 -1.84512
C  -2.88401  2.28634 -0.69417
C  -0.95936  3.54385  1.05722
C   2.71265 -0.78031 -1.48093
C   1.69524 -1.27802 -2.52439
C   3.69691  0.18205 -2.19096
C   3.47604 -1.98024 -0.88307
C   2.84763 -0.62060  2.34472
C   4.24024  1.04135  1.02715
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H  -4.18084 -1.11414  2.39429
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H   2.75394  1.97462  3.11581
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H   3.29096 -1.49867  1.84916
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H   3.46367 -0.39723  3.23471
H   3.95982 -2.53980 -1.70441
H   2.80952 -2.67905 -0.35383
H   4.27514 -1.67352 -0.19004
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H   0.97355 -1.98212 -2.08952
H   2.24206 -1.80029 -3.33034
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H   4.19615 -0.37416 -3.00608
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H  -1.29397  2.93641  1.90998
H  -1.62691  4.62015 -1.69418
H  -1.02280  3.36419 -2.82731
H   0.13955  4.27623 -1.81864
H  -3.27693  1.72436  0.16036
H  -3.08620  1.73899 -1.62452
H  -3.36489  3.27727 -0.74677
H   1.26166  2.74265 -0.47414
70
tBu-9'
C  -2.74586  0.21667 -1.20501
C  -2.79863  1.31364 -0.20768
C  -2.79016  0.75186  1.10042
C  -2.60204 -0.69595  0.93519
C  -2.68079 -1.01088 -0.51278
Rh -0.82954  0.23194  0.19691
B   2.56240  0.59427 -0.67078
P   1.28035 -0.82704 -0.05536
C   2.02057 -1.55818  1.59595
C   2.36122 -0.37990  2.52923
C  -3.00725  2.75836 -0.55568
C  -3.01133  1.47055  2.40252
C  -2.70324 -1.70715  2.03428
C  -2.83791 -2.38965 -1.08380
C  -2.86628  0.42195 -2.68689
P   2.26438  2.47919 -0.27411
C   3.62175  3.44262 -1.08265
C   0.69915  3.10967 -1.02742
C   2.23272  3.08790  1.47281
C   1.39998 -2.12715 -1.51105
C   0.58256 -1.52409 -2.67420
C   2.84938 -2.34683 -2.00314
C   0.78689 -3.48018 -1.09513
C   0.96739 -2.44858  2.28714
C   3.31231 -2.36321  1.33896
H  -2.68602  2.52101  2.34943
H  -2.46622  0.99141  3.22990
H  -4.08608  1.46656  2.66212
H  -3.76369 -1.99741  2.17000
H  -2.34515 -1.30516  2.99421
H  -2.13637 -2.62200  1.80588
H  -2.38728 -3.15624 -0.43584
H  -2.39604 -2.48538 -2.08749
H  -3.91384 -2.63233 -1.17311
H  -3.90428  0.69790 -2.95166
H  -2.61088 -0.48787 -3.25018
H  -2.21629  1.23793 -3.04413
H  -4.08351  2.94860 -0.72960
H  -2.47903  3.04361 -1.47941
H  -2.68339  3.42855  0.25531
H   2.53004  0.63384 -1.88602
H  -0.06052  0.73510  1.47864
H   4.06865 -1.77456  0.79477
H   3.12636 -3.29794  0.78764
H   3.75130 -2.64472  2.31363
H   2.71875 -0.78237  3.49439
H   1.47884  0.24831  2.73789
H   3.16288  0.25176  2.11410
H   0.66093 -3.30560  1.66659
H   0.06970 -1.86566  2.54643
H   1.39183 -2.85360  3.22430
H   0.74511 -4.14675 -1.97634
H  -0.23957 -3.37370 -0.71030
H   1.39072 -3.99402 -0.33049
H   1.02358 -0.58110 -3.03843
H  -0.46105 -1.32500 -2.38128
H   0.57625 -2.23612 -3.51985
H   3.33483 -1.40429 -2.29793
H   2.81777 -2.99974 -2.89517
H   3.48583 -2.84484 -1.25842
H   2.14489  4.18596  1.48403
H   3.16207  2.79118  1.98218
H   1.37511  2.64192  1.99854
H   3.45302  4.52504 -0.97195
H   3.66283  3.17900 -2.15037
H   4.58110  3.17013 -0.61658
H  -0.13883  2.52609 -0.59232
H   0.72770  2.94209 -2.11511
H   0.54837  4.17997 -0.81583
H   3.67341  0.33099 -0.25342
70
tBu-TS(9'-9)
C  -2.74962 -0.53751  1.20321
C  -2.60216 -1.67538  0.26516
C  -2.70531 -1.19321 -1.07150
C  -2.76203  0.27248 -0.98511
C  -2.89713  0.64458  0.44501
Rh -0.86535 -0.29227 -0.20783
B   2.11752 -0.40274  1.02388
P   1.05587  1.01370  0.06287
C   1.88664  1.65264 -1.57568
C   2.42614  0.43453 -2.34938
C  -2.49570 -3.10791  0.69763
C  -2.80282 -2.00565 -2.33301
C  -3.00488  1.19958 -2.13697
C  -3.28277  2.00739  0.94054
C  -2.83062 -0.68180  2.69530
P   2.72619 -2.14700  0.36192
C   3.01995 -3.16068  1.88468
C   1.59892 -3.18601 -0.67456
C   4.36473 -2.20652 -0.50274
C   0.96304  2.43789  1.40256
C   0.14366  1.86827  2.58110
C   2.34004  2.87639  1.94918
C   0.22459  3.65275  0.80304
C   0.80712  2.34739 -2.43519
C   3.06570  2.61434 -1.31536
H  -2.31664 -2.98782 -2.22738
H  -2.33717 -1.49043 -3.18696
H  -3.86345 -2.18529 -2.58853
H  -4.09359  1.30425 -2.31128
H  -2.55450  0.81932 -3.06657
H  -2.60186  2.20552 -1.94384
H  -2.89361  2.80791  0.29331
H  -2.93565  2.19663  1.96759
H  -4.38543  2.10059  0.94302
H  -3.80532 -1.11525  2.98804
H  -2.73215  0.28734  3.20697
H  -2.04834 -1.35325  3.08684
H  -3.48464 -3.48408  1.02152
H  -1.81367 -3.22499  1.55635
H  -2.14730 -3.75779 -0.11964
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H  -0.04359 -0.66204 -1.50052
H   3.82312  2.17462 -0.64575
H   2.74085  3.57804 -0.89381
H   3.56203  2.83519 -2.27797
H   2.76063  0.76146 -3.35063
H   1.65587 -0.34251 -2.49482
H   3.29662 -0.00702 -1.83983
H   0.38393  3.23654 -1.94290
H  -0.01874  1.65535 -2.66690
H   1.25829  2.67867 -3.38857
H   0.02578  4.38978  1.60263
H  -0.74372  3.36664  0.36163
H   0.81893  4.16636  0.03058
H   0.69154  1.07750  3.11755
H  -0.81709  1.44867  2.24416
H  -0.06438  2.68138  3.30050
H   2.89721  2.03450  2.38838
H   2.17349  3.61689  2.75345
H   2.97511  3.35715  1.19267
H   4.72722 -3.24620 -0.53340
H   5.08582 -1.58541  0.05035
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H   3.42926 -4.14863  1.62172
H   2.07064 -3.28332  2.42754
H   3.72982 -2.62855  2.53642
H   1.46336 -2.71220 -1.65765
H   0.61584 -3.24843 -0.18255
H   2.02066 -4.19613 -0.79988
H   3.15822  0.09309  1.41758
70
tBu-9
Rh  0.88516  0.27935  0.17759
C   2.75705 -0.38723  1.08340
C   2.77000 -0.96907 -0.26132
C   2.77761  0.09799 -1.21687
C   2.79251  1.35491 -0.47212
C   2.82934  1.06397  0.93737
C   2.95021 -1.14912  2.36609
H   2.45465 -2.13198  2.33773
H   2.55198 -0.59502  3.23017
H   4.02666 -1.32569  2.55114
C   2.93606 -2.43502 -0.54744
H   2.57927 -2.71199 -1.55105
H   2.41122 -3.05924  0.19208
H   4.00861 -2.70183 -0.49665
C   2.92686 -0.01921 -2.70889
H   3.98655  0.10064 -3.00312
H   2.35160  0.75445 -3.24274
H   2.59513 -1.00029 -3.08157
C   2.90631  2.71885 -1.09429
H   2.54386  3.50892 -0.41865
H   2.34658  2.78504 -2.04064
H   3.96469  2.94263 -1.32419
C   3.04315  2.05394  2.05048
H   4.12457  2.19512  2.23366
H   2.58833  1.71144  2.99247
H   2.61807  3.04106  1.81045
H   0.20823  0.65269  1.54883
P  -1.09162 -0.93805 -0.02673
C  -1.32551 -2.26086 -1.43407
C  -2.77009 -2.23072 -1.98439
H  -3.03808 -1.22782 -2.35644
H  -3.52299 -2.54318 -1.24680
H  -2.83963 -2.92917 -2.83900
C  -0.96089 -3.67048 -0.91958
H  -1.01797 -4.38602 -1.75996
H  -1.64577 -4.03505 -0.13859
H   0.06732 -3.70611 -0.52329
C  -0.36262 -1.89334 -2.58225
H   0.68314 -1.86200 -2.24321
H  -0.60520 -0.91981 -3.03615
H  -0.44754 -2.66194 -3.37192
C  -1.99983 -1.47609  1.61041
C  -2.28334 -0.23225  2.47221
H  -3.08644  0.38776  2.03958
H  -1.38242  0.38826  2.61379
H  -2.62839 -0.55943  3.46979
C  -1.02523 -2.39868  2.37969
H  -0.08311 -1.87288  2.60547
H  -0.78361 -3.31750  1.82277
H  -1.48925 -2.70182  3.33617
C  -3.34041 -2.19746  1.35329
H  -3.81231 -2.42165  2.32737
H  -3.21904 -3.15552  0.82676
H  -4.04646 -1.57315  0.78049
B  -1.26242  0.84389 -0.81051
H  -0.12085  1.49164 -0.59375
H  -1.39798  0.78770 -2.01294
P  -2.46308  2.31576 -0.32234
C  -4.26005  1.88292 -0.39751
H  -4.87601  2.78869 -0.28433
H  -4.51038  1.16857  0.40096
H  -4.47151  1.41608 -1.37198
C  -2.24782  3.63706 -1.60125
H  -2.47496  3.21857 -2.59348
H  -1.20178  3.98045 -1.59294
H  -2.91478  4.48904 -1.39620
C  -2.17507  3.18562  1.28266
H  -2.77142  4.11070  1.31943
H  -1.10440  3.43138  1.35690
H  -2.44698  2.53804  2.12711
71
Ph-10
C   3.36786 -0.39084  1.38618
C   2.21912 -0.07593  2.16802
C   1.81737  1.29938  1.83518
C   2.74689  1.83175  0.88358
C   3.67545  0.76560  0.53064
Rh  1.68847  0.09194 -0.10561
C   1.46422  1.27420 -1.85679
C   1.59787 -0.91866  3.24493
C   0.71821  2.05935  2.52014
C   2.81546  3.24769  0.39033
C   4.91872  0.94291 -0.29503
C   4.22960 -1.61529  1.50885
B  -0.72379 -0.69972  0.36927
P  -2.43740 -0.32294 -0.52882
C  -3.83951 -1.30241  0.15508
P   1.93541 -1.71018 -1.55471
C   0.57046 -1.98140 -2.79414
C  -2.95807  1.43594 -0.60317
C   3.43812 -1.67296 -2.65431
C   2.03899 -3.39530 -0.76618
H   1.83796  3.75157  0.44831
H   3.16450  3.30296 -0.65286
H   3.52484  3.82898  1.00753
H   5.71041  1.43353  0.30188
H   4.73661  1.57632 -1.17796
H   5.32298 -0.01981 -0.64404
H   4.63945 -1.93394  0.53666
H   3.68271 -2.46242  1.95044
H   5.09293 -1.40243  2.16648
H   1.94600 -0.59278  4.24277
H   1.86017 -1.98220  3.13288
H   0.49882 -0.84187  3.23692
H   1.09170  2.49853  3.46406
H  -0.12844  1.40294  2.77294
H   0.33959  2.88278  1.89518
H  -0.88237 -0.31806  1.50591
H  -2.40932 -0.65514 -1.92297
H   0.79772 -2.86330 -3.41483
H   0.46563 -1.10099 -3.44493
H  -0.37354 -2.15276 -2.25629
H   3.44040 -2.53752 -3.33806
H   4.35300 -1.69873 -2.04305
H   3.43227 -0.74192 -3.24170
H   1.12472 -3.56853 -0.17827
H   2.90763 -3.44727 -0.09462
H   2.13305 -4.17454 -1.54044
H   2.45690  1.45131 -2.30392
H   0.80551  0.83671 -2.62384
H   1.03079  2.23859 -1.54611
H  -0.03740  0.11968 -0.37061
H  -0.55311 -1.89170  0.24380
C  -3.10381  2.08735 -1.84569
C  -3.48264  3.43871 -1.88613
C  -3.72061  4.13819 -0.69239
C  -3.57846  3.48922  0.54668
C  -3.19531  2.14128  0.59675
H  -2.92704  1.54384 -2.78015
H  -3.59794  3.94063 -2.85167
H  -4.02215  5.18965 -0.72633
H  -3.77112  4.03322  1.47658
H  -3.09154  1.63764  1.56361
C  -5.16836 -0.97423 -0.19057
C  -6.22589 -1.74351  0.31425
C  -5.96397 -2.83153  1.16510
C  -4.64284 -3.15216  1.51493
C  -3.57614 -2.38983  1.01291
H  -5.37589 -0.11919 -0.84217
H  -7.25619 -1.49101  0.04548
H  -6.79317 -3.42764  1.55868
H  -4.43940 -3.99537  2.18216
H  -2.54621 -2.63681  1.28680
71
Ph-TS(10-11'')1
C   3.32326 -0.41338  1.24337
C   2.19739 -0.09682  2.09847
C   1.81491  1.27228  1.82495
C   2.73733  1.80387  0.83455
C   3.67295  0.77410  0.47232
Rh  1.54329  0.06024 -0.09506
C   0.81168  1.39582 -1.74773
C   1.63452 -0.96967  3.18328
C   0.76931  2.06003  2.56285
C   2.77103  3.22346  0.34509
C   4.89434  0.95440 -0.38733
C   4.16546 -1.65501  1.33794
B  -0.50879 -0.75067  0.43273
P  -2.20830 -0.32758 -0.48322
C  -3.63064 -1.28206  0.20919
P   1.75663 -1.72271 -1.56478
C   0.40706 -1.96375 -2.82587
C  -2.73852  1.43399 -0.57365
C   3.26752 -1.67022 -2.65963
C   1.86518 -3.42406 -0.81725
H   1.77970  3.70119  0.39061
H   3.14117  3.29588 -0.69032
H   3.45034  3.82443  0.97730
H   5.71676  1.41358  0.19280
H   4.70069  1.61373 -1.24972
H   5.27102 -0.00471 -0.77592
H   4.60636 -1.93914  0.36890
H   3.59530 -2.51212  1.72721
H   5.00656 -1.47951  2.03433
H   2.11254 -0.73329  4.15196
H   1.80434 -2.03873  2.98114
H   0.54963 -0.82153  3.30108
H   1.21142  2.57089  3.43842
H  -0.03692  1.40694  2.93149
H   0.31370  2.83237  1.92312
H  -0.74319 -0.33073  1.54874
H  -2.24975 -0.66734 -1.87662
H   0.67336 -2.78872 -3.50640
H   0.26845 -1.04510 -3.41523
H  -0.53159 -2.21500 -2.31079
H   3.29808 -2.55084 -3.32237
H   4.17687 -1.65616 -2.04020
H   3.24805 -0.75538 -3.27242
H   0.96708 -3.60343 -0.20741
H   2.75334 -3.49296 -0.17313
H   1.93396 -4.18595 -1.61091
H   1.79765  1.49077 -2.22408
H   0.09635  1.05762 -2.51443
H   0.48834  2.37348 -1.36370
H   0.14853  0.55078 -0.75041
H  -0.49611 -1.96628  0.36386
C  -3.05256  2.02948 -1.81364
C  -3.46142  3.37182 -1.86420
C  -3.56283  4.12076 -0.68089
C  -3.25300  3.52935  0.55632
C  -2.83872  2.19053  0.61427
H  -2.98470  1.44758 -2.73971
H  -3.70721  3.82830 -2.82804
H  -3.88859  5.16475 -0.72126
H  -3.34004  4.11086  1.47947
H  -2.60524  1.73137  1.58056
C  -4.92178 -1.10780 -0.33437
C  -5.99879 -1.83929  0.18457
C  -5.79462 -2.73699  1.24729
C  -4.51215 -2.90466  1.79201
C  -3.42552 -2.18047  1.27502
H  -5.08878 -0.39938 -1.15289
H  -6.99899 -1.70668 -0.23930
H  -6.63876 -3.30469  1.65105
H  -4.35330 -3.60113  2.62114
H  -2.42388 -2.31318  1.69430
71
Ph-INT(10-11'')
C   3.47946  0.40039  0.94429
C   2.32605  0.15203  1.85021
C   1.40168  1.27713  1.70984
C   1.86942  2.05835  0.61013
C   3.18476  1.54430  0.17076
Rh  1.47174 -0.08342 -0.10199
C   0.90356  0.79643 -2.72438
C   2.31736 -0.83067  2.98433
C   0.28094  1.62645  2.64285
C   1.23292  3.31576  0.09294
C   4.05675  2.19937 -0.86205
C   4.77016 -0.36535  0.98016
B  -0.43835 -1.01348  0.48669
P  -2.04076 -0.36861 -0.45689
C  -3.58934 -1.25044  0.04215
P   1.92187 -2.20827 -0.92227
C   0.75867 -2.88492 -2.21375
C  -2.47985  1.42591 -0.47138
C   3.55253 -2.35929 -1.82533
C   2.03127 -3.59902  0.30841
H   0.14162  3.31070  0.23717
H   1.43961  3.47110 -0.97794
H   1.63946  4.19397  0.62949
H   4.58538  3.07133 -0.43353
H   3.47083  2.57285 -1.71855
H   4.82188  1.50941 -1.25094
H   5.34832 -0.24909  0.05031
H   4.61190 -1.44056  1.16246
H   5.40289  0.00652  1.80796
H   2.76657 -0.37350  3.88668
H   2.90129 -1.73390  2.74980
H   1.29222 -1.14070  3.23765
H   0.66266  2.27631  3.45281
H  -0.15728  0.73197  3.10950
H  -0.52533  2.17107  2.12787
H  -0.66769 -0.77252  1.65734
H  -1.98980 -0.61284 -1.86981
H   1.08865 -3.88939 -2.52510
H   0.76127 -2.22170 -3.09238
H  -0.25857 -2.94503 -1.80207
H   3.69805 -3.39103 -2.18606
H   4.38317 -2.09251 -1.15611
H   3.55930 -1.67322 -2.68678
H   1.08261 -3.66751  0.86021
H   2.84755 -3.39717  1.01935
H   2.23328 -4.55089 -0.20921
H   1.98209  0.61579 -2.80904
H   0.36385  0.21078 -3.48251
H   0.69111  1.86819 -2.84190
H   0.46997  0.50334 -1.71846
H  -0.56773 -2.21019  0.26915
C  -2.39570  2.18051 -1.65996
C  -2.72087  3.54728 -1.65352
C  -3.13720  4.16556 -0.46378
C  -3.23533  3.41456  0.72080
C  -2.90885  2.04961  0.72075
H  -2.09222  1.70068 -2.59689
H  -2.66213  4.12384 -2.58217
H  -3.39895  5.22818 -0.46126
H  -3.57769  3.89014  1.64529
H  -3.00865  1.46624  1.64229
C  -4.78803 -1.05175 -0.67660
C  -5.95439 -1.72209 -0.28297
C  -5.93146 -2.58376  0.82813
C  -4.74091 -2.77815  1.54531
C  -3.56608 -2.11513  1.15411
H  -4.81343 -0.37349 -1.53655
H  -6.88273 -1.57102 -0.84261
H  -6.84499 -3.10360  1.13348
H  -4.72314 -3.44824  2.41051
H  -2.63335 -2.26836  1.70528
71
Ph-TS(10-11'')2
C   3.49258  0.48083  0.86144
C   2.32320  0.45788  1.78263
C   1.44428  1.56781  1.41623
C   1.95736  2.10698  0.19686
C   3.25523  1.47139 -0.11570
Rh  1.47572 -0.12017 -0.09405
P   1.87532 -2.35040 -0.59876
C   0.71038 -3.14908 -1.81604
C   2.26071 -0.29216  3.07985
C   0.32369  2.11968  2.24605
C   1.38448  3.26735 -0.56269
C   4.16760  1.88668 -1.23454
C   4.74782 -0.31716  1.06512
B  -0.44199 -0.90250  0.62305
P  -2.01077 -0.29101 -0.39392
C  -3.54750 -1.24762 -0.01547
C  -2.50886  1.48682 -0.33875
C   3.51685 -2.67295 -1.43294
C   1.91393 -3.55492  0.81608
C   0.89692  0.39377 -3.02892
H   0.29311  3.34209 -0.44015
H   1.61031  3.20323 -1.63911
H   1.82926  4.21206 -0.19615
H   4.71407  2.81195 -0.97231
H   3.61296  2.09603 -2.16425
H   4.91861  1.11265 -1.45700
H   5.33136 -0.42023  0.13714
H   4.54384 -1.32454  1.46310
H   5.39626  0.18943  1.80469
H   2.73696  0.30269  3.88301
H   2.79175 -1.25520  3.02752
H   1.21933 -0.48873  3.37643
H   0.72579  2.83534  2.98786
H  -0.20366  1.32668  2.79728
H  -0.41791  2.65221  1.63203
H  -0.64973 -0.50762  1.75724
H  -1.89836 -0.47768 -1.81112
H   1.00910 -4.19563 -1.98989
H   0.75394 -2.60144 -2.77002
H  -0.31546 -3.12047 -1.42331
H   3.62255 -3.74321 -1.67674
H   4.34326 -2.37337 -0.77227
H   3.57566 -2.08425 -2.36144
H   0.95734 -3.50539  1.35551
H   2.72897 -3.28159  1.50367
H   2.08449 -4.57789  0.44327
H   1.93684  0.07999 -3.18363
H   0.21525 -0.24811 -3.60499
H   0.77441  1.44520 -3.32682
H   0.60666  0.32731 -1.94426
H  -0.61894 -2.10900  0.55129
C  -4.63582 -1.23507 -0.91413
C  -5.80216 -1.94920 -0.60579
C  -5.88958 -2.67012  0.59815
C  -4.80833 -2.68161  1.49313
C  -3.63333 -1.97517  1.18844
H  -4.57610 -0.66911 -1.85033
H  -6.64363 -1.94304 -1.30561
H  -6.80213 -3.22577  0.83574
H  -4.87510 -3.24548  2.42882
H  -2.78250 -1.99520  1.87676
C  -2.32346  2.32999 -1.45392
C  -2.69773  3.68268 -1.38337
C  -3.26187  4.19640 -0.20457
C  -3.45786  3.35579  0.90508
C  -3.08298  2.00536  0.84169
H  -1.90278  1.93097 -2.38345
H  -2.56098  4.33014 -2.25535
H  -3.56073  5.24796 -0.15383
H  -3.91110  3.75034  1.81987
H  -3.25193  1.35214  1.70433
66
Ph-11''
C   1.82311  0.87868  2.04606
C   2.81628  1.38146  1.06287
C   3.59221  0.29860  0.59313
C   3.01958 -0.92201  1.18712
C   2.01274 -0.52505  2.18948
Rh  1.32213 -0.17153  0.09421
P   1.35846 -1.22369 -1.98738
C   0.53185 -2.87867 -2.20243
C   3.00812  2.83032  0.72456
C   4.82446  0.37687 -0.26371
C   3.61165 -2.29585  1.09005
C   1.42713 -1.43080  3.23098
C   0.90813  1.74706  2.86035
B  -0.54321 -1.15050  0.61182
P  -2.04502 -0.43088 -0.41848
C  -3.72076 -0.86245  0.20570
C  -1.99201  1.40132 -0.66842
C   0.61135 -0.20094 -3.36495
C   3.04052 -1.57775 -2.71418
H   2.05002  3.37335  0.69108
H   3.52234  2.96330 -0.24005
H   3.62576  3.32314  1.49938
H   5.71400  0.57213  0.36417
H   4.76518  1.19139 -1.00385
H   5.01508 -0.56232 -0.80393
H   4.07615 -2.47829  0.10905
H   2.85846 -3.07688  1.27428
H   4.40570 -2.41250  1.85293
H   2.13649 -1.53140  4.07397
H   1.22930 -2.43803  2.83365
H   0.48163 -1.03736  3.63130
H   1.44309  2.16288  3.73471
H   0.04487  1.17622  3.23528
H   0.52343  2.59732  2.27475
H  -0.62033 -2.35278  0.44402
H  -0.83311 -0.80045  1.74396
H  -2.14884 -0.91975 -1.76541
H   0.62881 -0.76420 -4.31252
H   1.19911  0.72303 -3.48084
H  -0.42550  0.07891 -3.12587
H   2.92859 -1.99947 -3.72647
H   3.57641 -2.30567 -2.08623
H   3.62706 -0.64911 -2.77101
H  -0.53554 -2.80331 -1.95238
H   0.99085 -3.60153 -1.51086
H   0.64803 -3.23277 -3.23968
C  -3.16227  2.17979 -0.77756
C  -3.06714  3.56323 -0.99828
C  -1.80983  4.17695 -1.11893
C  -0.63792  3.40825 -1.00989
C  -0.73723  2.02904 -0.77721
H  -4.14450  1.70554 -0.68555
H  -3.97944  4.16236 -1.07701
H  -1.73967  5.25498 -1.29403
H   0.34421  3.88199 -1.10551
H   0.20914  1.43803 -0.68757
C  -4.72874 -1.28928 -0.68580
C  -5.99912 -1.62670 -0.19379
C  -6.26606 -1.53965  1.18223
C  -5.26218 -1.11925  2.07125
C  -3.98851 -0.78443  1.58955
H  -4.52447 -1.36160 -1.75974
H  -6.77825 -1.95966 -0.88637
H  -7.25692 -1.80516  1.56358
H  -5.46911 -1.05891  3.14417
H  -3.20142 -0.47579  2.28462
66
Ph-TS(11''-11)
C   2.78779 -0.92617  1.78084
C   3.78247 -0.15278  1.00480
C   3.81841 -0.69936 -0.29354
C   2.82518 -1.80617 -0.35187
C   2.30016 -2.02013  0.98650
Rh  1.59928 -0.08645  0.09115
P   1.27321  1.68662 -1.39827
C   0.60386  1.30270 -3.09608
C   4.61611  0.96493  1.56175
C   4.75786 -0.35835 -1.41150
C   2.64039 -2.71915 -1.52500
C   1.48076 -3.18155  1.46544
C   2.46919 -0.67267  3.22272
B  -0.41240 -0.79288  0.22294
P  -2.11169 -0.05881 -0.43465
C  -3.45127 -1.32687 -0.48147
C  -2.80653  1.41528  0.43790
C   0.19240  3.08985 -0.81359
C   2.82959  2.62407 -1.83223
H   4.02404  1.63134  2.21060
H   5.06414  1.57756  0.76409
H   5.44423  0.56708  2.17779
H   5.57325 -1.10494 -1.45371
H   5.22508  0.62868 -1.27626
H   4.25947 -0.38038 -2.39434
H   2.71544 -2.17560 -2.47987
H   1.66521 -3.22686 -1.49240
H   3.42914 -3.49669 -1.52482
H   2.12858 -3.92047  1.97126
H   0.97304 -3.69067  0.63300
H   0.70373 -2.86657  2.18016
H   3.28094 -1.06898  3.86242
H   1.53168 -1.16152  3.52608
H   2.38842  0.40605  3.43564
H  -0.48571 -1.95185 -0.13667
H  -0.50547 -0.67321  1.44744
H  -2.16038  0.38479 -1.79930
H   0.15662  3.88076 -1.58116
H   0.61670  3.50545  0.11389
H  -0.82528  2.73443 -0.59810
H   2.58459  3.47874 -2.48434
H   3.53757  1.96597 -2.35657
H   3.30237  2.99586 -0.91031
H  -0.38527  0.82928 -3.01467
H   1.28436  0.59576 -3.59529
H   0.52607  2.22261 -3.69888
C  -3.72687  2.26289 -0.21743
C  -4.27894  3.35823  0.46233
C  -3.92273  3.61025  1.79850
C  -3.01175  2.76714  2.45464
C  -2.45053  1.67180  1.77857
H  -4.01598  2.06753 -1.25597
H  -4.98983  4.01347 -0.05057
H  -4.35754  4.46384  2.32777
H  -2.73641  2.96064  3.49620
H  -1.73838  1.01676  2.29009
C  -4.22986 -1.51066 -1.64223
C  -5.24397 -2.48130 -1.65740
C  -5.48529 -3.26430 -0.51735
C  -4.70825 -3.08330  0.63958
C  -3.68861 -2.12096  0.66016
H  -4.04630 -0.90290 -2.53516
H  -5.84462 -2.62415 -2.56105
H  -6.27806 -4.01866 -0.53054
H  -4.89432 -3.69556  1.52746
H  -3.07678 -1.99083  1.55891
66
Ph-11
C   3.28559  0.89952 -0.64205
C   2.40434  0.75910 -1.80194
C   2.34007 -0.63952 -2.11569
C   3.26208 -1.35558 -1.21536
C   3.88292 -0.40902 -0.35663
Rh  1.53923 -0.30711 -0.03828
P   1.28555  0.11380  2.22629
C   0.38799 -1.21886  3.18077
C   1.79356  1.88554 -2.58664
C   1.61701 -1.25946 -3.27759
C   3.56291 -2.82494 -1.29231
C   5.02339 -0.67988  0.58421
C   3.75533  2.21375 -0.08228
B  -0.43143 -0.35677 -0.49951
P  -2.13785 -0.06251  0.42100
C  -2.82716  1.57740 -0.05087
C  -3.41115 -1.35019  0.11207
C   2.84977  0.22858  3.23838
C   0.43606  1.68938  2.76395
H   2.66194 -3.41657 -1.51905
H   3.99309 -3.20399 -0.35243
H   4.29535 -3.02431 -2.09724
H   5.98419 -0.63779  0.03755
H   4.95412 -1.67981  1.04223
H   5.08379  0.06326  1.39324
H   4.12275  2.11699  0.95124
H   2.95559  2.97083 -0.09351
H   4.59359  2.60780 -0.68775
H   2.49895  2.23147 -3.36586
H   1.56208  2.75136 -1.94680
H   0.86673  1.57552 -3.09276
H   2.27194 -1.28669 -4.16797
H   0.71428 -0.68877 -3.54633
H   1.30968 -2.29522 -3.06199
H  -0.76071 -0.37370 -1.66898
H  -2.11176 -0.05490  1.85355
H   0.25775 -0.92880  4.23656
H   0.98417 -2.14332  3.12617
H  -0.59454 -1.42340  2.73166
H   2.59888  0.37395  4.30221
H   3.45751  1.08078  2.89826
H   3.43503 -0.69638  3.12771
H  -0.55996  1.77233  2.30362
H   1.04082  2.54265  2.41776
H   0.34186  1.73516  3.86172
H   0.16894 -1.46683 -0.03368
C  -4.20951  1.83737  0.05378
C  -4.70135  3.10576 -0.28734
C  -3.82264  4.10720 -0.73526
C  -2.44770  3.84380 -0.84688
C  -1.94385  2.57862 -0.50655
H  -4.89653  1.05386  0.38921
H  -5.77326  3.31063 -0.20716
H  -4.21275  5.09401 -1.00328
H  -1.76680  4.62259 -1.20424
H  -0.87343  2.35965 -0.59645
C  -4.07477 -1.96465  1.19553
C  -5.03119 -2.96257  0.95164
C  -5.32589 -3.34682 -0.36630
C  -4.66407 -2.73583 -1.44555
C  -3.70410 -1.74099 -1.21319
H  -3.85168 -1.66531  2.22553
H  -5.54625 -3.43677  1.79262
H  -6.07258 -4.12451 -0.55378
H  -4.89451 -3.03649 -2.47215
H  -3.18762 -1.27092 -2.05617
66
Ph-TS(11-11')
C  -3.39888 -0.55034 -1.07498
C  -2.46649 -0.01260 -2.04489
C  -2.23490  1.37145 -1.70637
C  -3.09448  1.70853 -0.56565
C  -3.82840  0.54130 -0.20083
Rh -1.49484  0.12767  0.01998
P  -1.32870 -1.22251  1.89222
C  -0.65262 -0.40046  3.42606
C  -1.93627 -0.72840 -3.25636
C  -1.44511  2.35778 -2.52202
C  -3.26736  3.08657  0.01101
C  -4.95120  0.48495  0.79894
C  -4.03452 -1.91208 -1.15458
B   0.39123  0.07954 -0.51255
P   2.11597 -0.09341  0.44517
C   3.16301 -1.41989 -0.27547
C   3.06115  1.48006  0.45508
C  -2.91776 -1.92424  2.57412
C  -0.30657 -2.77964  1.75898
H  -2.33025  3.66335 -0.02012
H  -3.60986  3.05164  1.05692
H  -4.02278  3.65187 -0.56649
H  -5.89676  0.81513  0.32934
H  -4.77134  1.14572  1.66239
H  -5.12208 -0.53474  1.17631
H  -4.45791 -2.22859 -0.18894
H  -3.31880 -2.68194 -1.48389
H  -4.86766 -1.90397 -1.88242
H  -2.58962 -0.54089 -4.12903
H  -1.89801 -1.81786 -3.10130
H  -0.92417 -0.38603 -3.52375
H  -2.08467  2.80836 -3.30344
H  -0.59368  1.87709 -3.02908
H  -1.05103  3.17813 -1.90199
H   0.74333  0.37224 -1.64081
H   2.03418 -0.38352  1.84578
H  -0.59102 -1.11340  4.26478
H  -1.32266  0.43061  3.69597
H   0.34467  0.01948  3.22723
H  -2.70198 -2.52876  3.47057
H  -3.40339 -2.56344  1.82166
H  -3.60000 -1.10622  2.84872
H   0.73605 -2.53444  1.50592
H  -0.71896 -3.39478  0.94403
H  -0.32807 -3.35207  2.70126
H  -0.50016  1.14402  0.77304
C   4.54609 -1.47069  0.00126
C   5.32124 -2.50573 -0.54024
C   4.72433 -3.48180 -1.35734
C   3.34959 -3.42632 -1.63813
C   2.56338 -2.39586 -1.09953
H   5.01487 -0.70345  0.62594
H   6.39355 -2.54826 -0.32666
H   5.33502 -4.28548 -1.78020
H   2.88827 -4.18244 -2.28068
H   1.49140 -2.34820 -1.32195
C   3.28526  2.16643  1.66748
C   3.96176  3.39599  1.65464
C   4.41229  3.93894  0.44054
C   4.18894  3.25454 -0.76690
C   3.51037  2.02777 -0.76704
H   2.94193  1.74386  2.61788
H   4.14060  3.92552  2.59534
H   4.94176  4.89658  0.43474
H   4.54436  3.67662 -1.71180
H   3.34024  1.49660 -1.70917
66
Ph-11'
C  -3.49613 -1.23696  1.69994
C  -3.29353 -1.24156  0.30145
C  -3.99379 -2.15831 -0.51331
C  -4.89312 -3.06313  0.07075
C  -5.09703 -3.05502  1.46054
C  -4.40156 -2.14255  2.27197
P  -2.09727 -0.07328 -0.44872
C  -2.86915  1.59438 -0.60857
C  -4.21020  1.81100 -0.23439
C  -4.76389  3.09438 -0.36567
C  -3.98778  4.15156 -0.86741
C  -2.65009  3.93215 -1.23776
C  -2.08167  2.65670 -1.10489
B  -0.37698  0.03080  0.53048
Rh  1.48168  0.06412 -0.07656
P   1.31759 -1.69235 -1.56375
C   0.28787 -3.16844 -1.06649
C   3.33423 -0.44223  1.26617
C   2.36958  0.29591  2.04520
C   2.20128  1.59350  1.42333
C   3.12034  1.66672  0.28686
C   3.82826  0.42752  0.20244
C   3.91126 -1.78018  1.64440
C   1.76326 -0.13915  3.34994
C   1.43133  2.75155  1.99869
C   3.37932  2.89385 -0.54433
C   4.99509  0.14323 -0.70488
C   0.66341 -1.28317 -3.26144
C   2.92581 -2.52354 -2.00941
H   2.47454  3.51107 -0.65446
H   3.73850  2.63573 -1.55263
H   4.15328  3.52359 -0.06706
H   5.92802  0.54488 -0.26688
H   4.87505  0.61218 -1.69503
H   5.15240 -0.93586 -0.85456
H   4.35116 -2.30187  0.77958
H   3.15503 -2.44245  2.09460
H   4.72137 -1.65312  2.38677
H   2.37915  0.21632  4.19696
H   1.69671 -1.23585  3.42563
H   0.75038  0.27213  3.48788
H   2.06250  3.31358  2.71216
H   0.53547  2.41527  2.54344
H   1.10891  3.45672  1.21693
H  -0.70671  0.26011  1.67909
H  -2.00880 -0.56508 -1.79049
H   0.62269 -2.18543 -3.89353
H   1.33000 -0.53846 -3.72326
H  -0.34214 -0.84230 -3.18931
H   2.74407 -3.33347 -2.73509
H   3.38788 -2.94611 -1.10472
H   3.61123 -1.78546 -2.45175
H  -0.76052 -2.86727 -0.91412
H   0.67151 -3.56578 -0.11389
H   0.33209 -3.95540 -1.83798
H   0.82582  0.88769 -1.25374
H  -4.81766  0.98769  0.15306
H  -5.80567  3.26478 -0.07750
H  -4.42544  5.14937 -0.96940
H  -2.04542  4.75629 -1.62872
H  -1.03596  2.48746 -1.38387
H  -3.84381 -2.16332 -1.59834
H  -5.43609 -3.77195 -0.56171
H  -5.79997 -3.76135  1.91272
H  -4.56112 -2.13701  3.35446
H  -2.95261 -0.53146  2.33606
66
Ph-TS(11''-9')1
C  -1.83500  2.06184 -0.34159
C  -1.94360  1.73955  1.04336
C  -2.96166  0.68716  1.13900
C  -3.61641  0.55175 -0.18887
C  -2.89733  1.35131 -1.09579
Rh -1.38207 -0.14829 -0.01601
P  -1.53396 -2.46339 -0.24187
C  -0.03266 -3.33472 -0.92548
C  -1.25695  2.41484  2.19351
C  -3.48966  0.11857  2.42083
C  -4.87446 -0.22476 -0.44956
C  -3.16170  1.54018 -2.56114
C  -0.92933  3.09245 -0.94562
B   0.34439 -0.55956  1.20518
P   1.75796 -0.12063 -0.10683
C   2.36540  1.62122 -0.10319
C   3.24798 -1.22020 -0.05221
C  -1.90069 -3.41228  1.31566
C  -2.85337 -3.07861 -1.41072
H  -4.94783 -1.12292  0.18445
H  -4.96227 -0.53482 -1.50248
H  -5.75716  0.39995 -0.21635
H  -3.63327  2.52283 -2.74999
H  -3.83748  0.76739 -2.95814
H  -2.23016  1.51373 -3.15104
H  -0.60826  2.81251 -1.96209
H  -0.03139  3.26012 -0.33308
H  -1.46540  4.05713 -1.03196
H  -1.86469  3.26922  2.54576
H  -0.26649  2.80081  1.90697
H  -1.11480  1.72900  3.04226
H  -4.25181  0.79877  2.84904
H  -2.68942 -0.00202  3.16647
H  -3.97429 -0.85835  2.26893
H   0.48616  0.23214  2.11576
H   1.40335 -0.25940 -1.49358
H  -0.22323 -4.41909 -0.97867
H   0.83766 -3.14915 -0.27963
H   0.17801 -2.96093 -1.94004
H  -1.93649 -4.49441  1.10888
H  -2.87189 -3.08902  1.72184
H  -1.11544 -3.19490  2.05462
H  -2.67646 -2.66049 -2.41385
H  -3.84672 -2.75741 -1.06554
H  -2.83067 -4.17965 -1.46664
H   0.58273 -1.70920  1.52644
C   2.55532  2.28230  1.12887
C   3.06462  3.59046  1.14856
C   3.38137  4.24285 -0.05490
C   3.19361  3.58594 -1.28258
C   2.68939  2.27643 -1.30995
H   2.30580  1.77491  2.06629
H   3.21593  4.09894  2.10587
H   3.77707  5.26303 -0.03619
H   3.44165  4.09201 -2.22079
H   2.54936  1.76897 -2.27077
C   4.04367 -1.41581 -1.20084
C   5.19465 -2.21311 -1.12250
C   5.55463 -2.81219  0.09705
C   4.76152 -2.61923  1.23967
C   3.60383 -1.82809  1.16883
H   3.77111 -0.94805 -2.15334
H   5.80999 -2.36745 -2.01434
H   6.45378 -3.43348  0.15459
H   5.04027 -3.08829  2.18837
H   2.97528 -1.68851  2.05441
66
Ph-INT(11''-9')
C  -1.43236 -2.24730 -0.33969
C  -2.59032 -1.48030 -0.72143
C  -3.10439 -0.83677  0.47872
C  -2.24187 -1.17911  1.58748
C  -1.19224 -2.04226  1.08333
Rh -0.97094 -0.01389  0.08037
P  -1.64172  2.16788 -0.44188
C  -0.37212  3.48981 -0.74235
C  -3.27676 -1.53371 -2.05779
C  -4.44322 -0.16428  0.59232
C  -2.48684 -0.84645  3.03451
C  -0.19731 -2.79610  1.91908
C  -0.72620 -3.24728 -1.20407
B   0.15800  0.20928 -2.07665
P   1.29673  0.11583 -0.58946
C   2.38733 -1.34766 -0.34608
C   2.28557  1.56410 -0.02205
C  -2.77711  2.34911 -1.90448
C  -2.61201  2.94605  0.94521
H  -2.98663  0.12660  3.15701
H  -1.54862 -0.81764  3.60889
H  -3.13559 -1.61373  3.49604
H  -0.61387 -3.78020  2.20461
H   0.04436 -2.25791  2.84862
H   0.74339 -2.97747  1.37807
H   0.33353 -3.35863 -0.93073
H  -0.78418 -2.98254 -2.27061
H  -1.20586 -4.23659 -1.08058
H  -3.93925 -2.41775 -2.11295
H  -2.55250 -1.60805 -2.88330
H  -3.90255 -0.64600 -2.23652
H  -5.23384 -0.93642  0.63954
H  -4.67730  0.47466 -0.27367
H  -4.52973  0.43907  1.50866
H  -0.06872 -0.81318 -2.66564
H  -0.35199  0.78824  1.28663
H  -0.89814  4.44069 -0.92745
H   0.25191  3.24104 -1.61107
H   0.27259  3.58996  0.14276
H  -3.09426  3.39994 -2.00613
H  -3.66631  1.71606 -1.76892
H  -2.24664  2.02979 -2.81328
H  -1.97005  3.00515  1.83738
H  -3.49638  2.33870  1.18212
H  -2.93598  3.96008  0.65890
H  -0.00566  1.27112 -2.61284
C   3.05528 -1.55290  0.88190
C   3.93892 -2.63222  1.02820
C   4.16322 -3.51222 -0.04494
C   3.50787 -3.30739 -1.26995
C   2.62343 -2.22768 -1.42600
H   2.90026 -0.86061  1.71553
H   4.45768 -2.78289  1.98010
H   4.85773 -4.35000  0.07082
H   3.69453 -3.97984 -2.11314
H   2.13172 -2.05338 -2.38768
C   3.14732  2.18339 -0.95354
C   3.96021  3.25484 -0.55114
C   3.92533  3.70726  0.77817
C   3.07547  3.08769  1.70991
C   2.25548  2.01896  1.31290
H   3.17971  1.83100 -1.98968
H   4.62136  3.73575 -1.27876
H   4.56102  4.54221  1.08878
H   3.05009  3.43601  2.74737
H   1.58555  1.54415  2.03845
66
Ph-TS(11''-6)2
C  -2.31699  1.39393  1.45155
C  -2.58986 -0.02546  1.69857
C  -3.14023 -0.57438  0.49836
C  -3.19733  0.48539 -0.51489
C  -2.67445  1.69340  0.08807
Rh -1.01509  0.13705 -0.13284
P  -0.51160 -1.61230 -1.57775
C   1.03534 -1.42173 -2.59075
C  -2.58531 -0.70367  3.04122
C  -3.77015 -1.93511  0.38530
C  -3.97484  0.44684 -1.80252
C  -2.70364  3.06841 -0.52318
C  -2.12933  2.45057  2.50709
B   0.54235  0.73681  2.28403
P   1.23700  0.31080  0.58999
C   2.27134  1.68641 -0.09434
C   2.37132 -1.15723  0.70990
C  -0.34813 -3.32076 -0.85715
C  -1.75231 -1.90023 -2.93874
H  -4.11546 -0.57619 -2.17918
H  -3.49115  1.04154 -2.59346
H  -4.98210  0.87406 -1.64047
H  -3.63971  3.58948 -0.24779
H  -2.65812  3.02601 -1.62185
H  -1.86380  3.68803 -0.17343
H  -1.47752  3.27081  2.17042
H  -1.72320  2.04936  3.44574
H  -3.12030  2.89138  2.73056
H  -3.58297 -0.61487  3.51186
H  -1.85369 -0.25713  3.72985
H  -2.35972 -1.77878  2.95925
H  -4.82004 -1.89059  0.73058
H  -3.25486 -2.68075  1.01120
H  -3.79234 -2.30710 -0.65025
H   0.39648  1.89267  2.54462
H  -0.44900  0.96911 -1.33087
H   1.12551 -2.27460 -3.28292
H   1.92113 -1.39212 -1.94084
H   0.97406 -0.48688 -3.16843
H  -0.18537 -4.05356 -1.66498
H  -1.26931 -3.57890 -0.31307
H   0.50239 -3.34734 -0.15996
H  -1.93557 -0.96515 -3.48809
H  -2.70185 -2.27124 -2.52670
H  -1.35119 -2.65762 -3.63209
H   0.30904 -0.14566  3.05991
C   2.02039  2.27827 -1.34726
C   2.82989  3.32986 -1.80812
C   3.89354  3.79693 -1.02071
C   4.14966  3.21137  0.23084
C   3.34553  2.16016  0.69445
H   1.18113  1.92724 -1.95713
H   2.62538  3.78476 -2.78245
H   4.52098  4.61879 -1.37931
H   4.97395  3.57642  0.85136
H   3.55333  1.70837  1.67018
C   2.02443 -2.23614  1.55344
C   2.89134 -3.33086  1.69017
C   4.10752 -3.36339  0.98537
C   4.45611 -2.29350  0.14711
C   3.59450 -1.19179  0.00782
H   1.08527 -2.21060  2.11569
H   2.62028 -4.15564  2.35700
H   4.78353 -4.21647  1.09771
H   5.40501 -2.30767 -0.39823
H   3.88609 -0.35152 -0.62994
66
Ph-INT(11''-6)
C  -2.44621 -0.46129 -1.84237
C  -2.51807  0.90513 -1.30811
C  -3.00839  0.82792  0.02792
C  -3.21033 -0.58835  0.36805
C  -2.84671 -1.37013 -0.78770
Rh -0.98844 -0.36590  0.05052
P  -0.27831  0.34243  2.15208
C   1.27933 -0.40890  2.83044
C  -2.33905  2.15680 -2.11910
C  -3.45211  1.99799  0.86156
C  -3.98665 -1.12108  1.54141
C  -3.05703 -2.85033 -0.95716
C  -2.50181 -0.82703 -3.30375
B   0.27669 -0.53739 -2.30011
P   1.24213 -0.15948 -0.73873
C   2.50756 -1.45537 -0.35678
C   2.06684  1.49241 -0.62432
C   0.02380  2.17008  2.31658
C  -1.43975 -0.00508  3.56657
H  -3.99966 -0.42412  2.39088
H  -3.59457 -2.08801  1.89356
H  -5.03878 -1.28502  1.24224
H  -4.04974 -3.04686 -1.40393
H  -3.01542 -3.38017  0.00648
H  -2.29957 -3.29378 -1.62150
H  -2.04399 -1.80481 -3.51213
H  -2.02394 -0.07846 -3.94989
H  -3.56848 -0.89282 -3.59467
H  -3.28113  2.41778 -2.63731
H  -1.56803  2.03140 -2.89558
H  -2.05906  3.01843 -1.49311
H  -4.52012  2.21022  0.66760
H  -2.89039  2.91314  0.61769
H  -3.35776  1.81098  1.94249
H   0.22413 -1.68837 -2.62630
H  -0.47661 -1.76066  0.54017
H   1.47247  0.00489  3.83351
H   2.13570 -0.19411  2.17733
H   1.15815 -1.50002  2.89993
H   0.31704  2.41347  3.35136
H  -0.89398  2.71986  2.05953
H   0.82540  2.46691  1.62440
H  -1.66756 -1.08070  3.60578
H  -2.37670  0.55716  3.44951
H  -0.95954  0.30148  4.51048
H  -0.05612  0.37174 -3.00342
C   2.17040 -2.66461  0.28456
C   3.13212 -3.67505  0.44072
C   4.43823 -3.48808 -0.03828
C   4.77834 -2.28975 -0.68663
C   3.82080 -1.27791 -0.85208
H   1.15020 -2.82155  0.65001
H   2.85717 -4.61037  0.93840
H   5.18741 -4.27573  0.08766
H   5.79060 -2.14121 -1.07527
H   4.09537 -0.35735 -1.37608
C   1.54696  2.56601 -1.38160
C   2.11207  3.84510 -1.27622
C   3.19947  4.07064 -0.41476
C   3.72410  3.00786  0.33764
C   3.16177  1.72444  0.23796
H   0.70828  2.39659 -2.06260
H   1.70865  4.66588 -1.87767
H   3.64135  5.06873 -0.33767
H   4.57751  3.17268  1.00290
H   3.59670  0.90230  0.81484
66
Ph-TS(11''-6)2'
C  -2.44452 -0.35214 -1.86132
C  -2.49981  0.98989 -1.26464
C  -2.99806  0.85922  0.06345
C  -3.22083 -0.56842  0.33754
C  -2.86334 -1.30206 -0.85052
Rh -0.99051 -0.36723  0.03600
P  -0.28374  0.20377  2.17680
C   1.26016 -0.60769  2.81881
C  -2.29745  2.27438 -2.01665
C  -3.42333  1.99589  0.95112
C  -4.00995 -1.14318  1.48249
C  -3.09867 -2.76872 -1.08939
C  -2.50716 -0.64882 -3.33811
B   0.26639 -0.45826 -2.30764
P   1.24211 -0.12891 -0.74144
C   2.50692 -1.43747 -0.40204
C   2.07049  1.51641 -0.57929
C   0.03893  2.01462  2.45164
C  -1.45613 -0.21172  3.56325
H  -4.02914 -0.47929  2.35813
H  -3.62422 -2.12434  1.80070
H  -5.05966 -1.29176  1.16728
H  -4.09523 -2.92581 -1.54312
H  -3.06503 -3.34399 -0.15192
H  -2.35031 -3.19306 -1.77606
H  -2.05545 -1.61816 -3.59387
H  -2.02734  0.12703 -3.94955
H  -3.57520 -0.69441 -3.62787
H  -3.22948  2.56570 -2.53689
H  -1.51566  2.17644 -2.78638
H  -2.02021  3.10550 -1.34945
H  -4.48381  2.24404  0.75861
H  -2.83670  2.90796  0.75978
H  -3.34483  1.75196  2.02210
H   0.21356 -1.59723 -2.67387
H  -0.48642 -1.79067  0.44394
H   1.45145 -0.25443  3.84506
H   2.12529 -0.37170  2.18475
H   1.12199 -1.69922  2.82491
H   0.36064  2.18885  3.49175
H  -0.88119  2.58488  2.25611
H   0.82347  2.35117  1.75805
H  -1.70711 -1.28235  3.53045
H  -2.38023  0.37715  3.48059
H  -0.97313  0.02180  4.52633
H  -0.06270  0.47398 -2.98140
C   2.15033 -2.69485  0.12747
C   3.11067 -3.71123  0.24647
C   4.43573 -3.48296 -0.15715
C   4.79568 -2.23633 -0.69350
C   3.83950 -1.21761 -0.82227
H   1.11646 -2.88295  0.43552
H   2.82005 -4.68357  0.65661
H   5.18389 -4.27560 -0.05977
H   5.82309 -2.05414 -1.02366
H   4.13103 -0.25894 -1.26141
C   1.60918  2.59520 -1.36609
C   2.18124  3.86807 -1.22587
C   3.21820  4.08103 -0.30166
C   3.68561  3.01255  0.48025
C   3.11466  1.73638  0.34722
H   0.81359  2.43312 -2.09834
H   1.82425  4.69318 -1.85028
H   3.66674  5.07380 -0.19860
H   4.50069  3.16777  1.19413
H   3.50400  0.90860  0.94817
66
Ph-6
C   2.58425 -0.52417  1.33394
C   3.24014 -0.75851  0.04783
C   2.50469 -1.80124 -0.62528
C   1.41871 -2.23123  0.23182
C   1.46599 -1.43479  1.44917
Rh  1.09937 -0.03138 -0.28805
P   1.30467  2.31552 -0.17875
C   0.38032  3.31632 -1.44093
C   4.57213 -0.21783 -0.39198
C   2.85184 -2.41572 -1.95022
C   0.56965 -3.44542  0.00024
C   0.63336 -1.66616  2.67801
C   3.12414  0.32680  2.44857
B  -0.33315 -0.01719 -2.31518
P  -1.24674 -0.03117 -0.62327
C  -2.35366  1.38055 -0.18007
C  -2.23697 -1.53799 -0.22606
C   0.84707  3.13633  1.42691
C   3.03770  2.94526 -0.45497
H   0.32025 -3.57646 -1.06375
H  -0.37081 -3.41249  0.56808
H   1.12617 -4.34583  0.32245
H   1.11115 -2.43056  3.31938
H  -0.37308 -2.03218  2.42287
H   0.52584 -0.75068  3.27992
H   2.33309  0.64919  3.14314
H   3.64862  1.22093  2.07819
H   3.85729 -0.25637  3.03640
H   5.36890 -0.94674 -0.15273
H   4.83166  0.72146  0.11687
H   4.60802 -0.04063 -1.47826
H   3.43047 -3.34500 -1.79447
H   3.46315 -1.74040 -2.56738
H   1.94815 -2.67821 -2.52200
H  -0.49546  0.98619 -2.96596
H   0.98940  0.22980 -1.98071
H   0.60122  4.38420 -1.28116
H  -0.70214  3.14836 -1.35090
H   0.70374  3.01873 -2.44947
H   1.09792  4.20940  1.38777
H   1.39640  2.66539  2.25579
H  -0.23380  3.02013  1.59447
H   3.42263  2.57235 -1.41607
H   3.70402  2.61143  0.35359
H   3.02588  4.04751 -0.47081
H  -0.30092 -1.08225 -2.88298
C  -2.80924 -1.72043  1.05373
C  -3.58986 -2.85476  1.32258
C  -3.81033 -3.81405  0.31914
C  -3.25392 -3.63206 -0.95703
C  -2.46892 -2.50091 -1.23272
H  -2.66942 -0.96714  1.83521
H  -4.03355 -2.98475  2.31475
H  -4.42456 -4.69502  0.52953
H  -3.43813 -4.36701 -1.74702
H  -2.04645 -2.35560 -2.23076
C  -2.52297  1.79498  1.15936
C  -3.43099  2.81939  1.47232
C  -4.17023  3.44088  0.45183
C  -4.00472  3.03425 -0.88224
C  -3.10312  2.00563 -1.20148
H  -1.94818  1.31518  1.95920
H  -3.56161  3.13154  2.51342
H  -4.87675  4.23976  0.69713
H  -4.58255  3.51327 -1.67891
H  -2.98178  1.68464 -2.24103
66
Ph-TS(11''-6)3
C  -3.03474  0.79533 -0.66094
C  -2.06943  1.75121 -0.12837
C  -2.05785  1.58557  1.30914
C  -3.07670  0.59198  1.65631
C  -3.70041  0.13529  0.45727
Rh -1.34214 -0.30859  0.31412
P  -1.21101 -2.18683 -1.10696
C   0.05837 -3.44698 -0.59680
C  -1.36435  2.81796 -0.91281
C  -1.34600  2.47075  2.29426
C  -3.44597  0.19087  3.05452
C  -4.90091 -0.76607  0.37898
C  -3.47593  0.73441 -2.09783
B   0.44373 -0.16291  1.42371
P   1.79285 -0.23936  0.02368
C   2.13728  1.52354 -0.42117
C   3.46702 -0.97459  0.39790
C  -2.75278 -3.23043 -1.20777
C  -0.81502 -1.89513 -2.90326
H  -2.57586  0.21253  3.72904
H  -3.88464 -0.81851  3.08867
H  -4.19620  0.89155  3.46686
H  -5.82280 -0.19393  0.59319
H  -4.85234 -1.58826  1.11117
H  -5.02396 -1.20634 -0.62187
H  -3.86122 -0.26010 -2.37482
H  -2.65860  0.99494 -2.78805
H  -4.29467  1.45752 -2.27201
H  -2.02327  3.70102 -1.02104
H  -1.10207  2.47439 -1.92500
H  -0.43703  3.14684 -0.42144
H  -1.99249  3.32599  2.56588
H  -0.41060  2.87437  1.87726
H  -1.09747  1.93531  3.22343
H   0.61864  0.29572  2.52280
H   0.38349 -0.46475 -0.75900
H   0.09259 -4.26935 -1.32940
H  -0.20975 -3.84718  0.39315
H   1.05288 -2.97698 -0.53628
H  -2.55738 -4.12878 -1.81655
H  -3.57009 -2.65806 -1.67139
H  -3.05947 -3.53510 -0.19569
H   0.19026 -1.45384 -2.98375
H  -1.54688 -1.19267 -3.32947
H  -0.84615 -2.84163 -3.46720
H  -0.41760 -1.20940  1.47279
C   4.60423 -0.65465 -0.37477
C   5.82597 -1.29031 -0.11052
C   5.91892 -2.24780  0.91485
C   4.78671 -2.57221  1.68052
C   3.55902 -1.94521  1.41849
H   4.53967  0.09886 -1.16685
H   6.70979 -1.03411 -0.70344
H   6.87527 -2.73951  1.11805
H   4.85945 -3.31159  2.48448
H   2.67769 -2.19781  2.02052
C   2.03889  1.93490 -1.76727
C   2.34748  3.25812 -2.12530
C   2.74769  4.17722 -1.14185
C   2.84745  3.77264  0.20091
C   2.54841  2.44985  0.56333
H   1.72941  1.21840 -2.53572
H   2.27963  3.56828 -3.17291
H   2.98861  5.20758 -1.42156
H   3.16612  4.48645  0.96718
H   2.64292  2.13449  1.60753
66
Ph-INT(11''-6)
C  -3.43564 -0.24416  1.09146
C  -2.53579 -1.19506  1.70524
C  -2.25145 -2.24174  0.73652
C  -3.00932 -1.95396 -0.46382
C  -3.73483 -0.72071 -0.25990
Rh -1.52322 -0.25037 -0.08045
P  -1.37954  1.97441 -0.82017
C  -0.34544  2.21863 -2.34451
C  -2.05731 -1.16251  3.12743
C  -1.44954 -3.48420  0.99133
C  -3.08295 -2.82368 -1.68433
C  -4.80507 -0.19068 -1.17197
C  -4.12929  0.87889  1.81245
B   0.57162 -0.86578 -0.32168
P   2.25186 -0.13041 -0.87667
C   2.70353  1.44596 -0.01172
C   3.58489 -1.34507 -0.47803
C  -2.96331  2.80277 -1.33804
C  -0.68727  3.18042  0.41107
H  -2.14844 -3.38217 -1.84610
H  -3.29639 -2.23827 -2.59173
H  -3.89517 -3.56582 -1.56902
H  -5.73897 -0.76277 -1.01671
H  -4.53505 -0.29300 -2.23514
H  -5.03708  0.86545 -0.97361
H  -4.49203  1.65620  1.12300
H  -3.47412  1.35745  2.55707
H  -5.01237  0.49007  2.35302
H  -2.78269 -1.68854  3.77649
H  -1.96286 -0.13316  3.50599
H  -1.08546 -1.66502  3.24488
H  -2.10341 -4.28261  1.38780
H  -0.64797 -3.31321  1.72623
H  -0.98174 -3.86360  0.06984
H   0.67232 -2.05495 -0.15832
H   0.05907 -0.05588  0.64220
H  -0.29966  3.28941 -2.60217
H  -0.80152  1.65864 -3.17582
H   0.67343  1.83598 -2.18174
H  -2.73477  3.81802 -1.70237
H  -3.65854  2.88125 -0.48920
H  -3.43770  2.22869 -2.14746
H   0.33139  2.87522  0.69394
H  -1.32333  3.17931  1.30990
H  -0.66427  4.19485 -0.02015
H  -0.39278 -0.63797 -1.31580
C   4.73975 -0.98526  0.24943
C   5.74872 -1.93356  0.47860
C   5.62191 -3.24087 -0.01746
C   4.48018 -3.59896 -0.75467
C   3.47130 -2.65619 -0.99468
H   4.84962  0.02974  0.64221
H   6.63771 -1.64620  1.04930
H   6.41307 -3.97559  0.16114
H   4.38010 -4.61277 -1.15550
H   2.59593 -2.93865 -1.58988
C   3.24062  2.51160 -0.76781
C   3.62025  3.70981 -0.13997
C   3.47380  3.85344  1.24910
C   2.95103  2.79528  2.01313
C   2.56580  1.59752  1.38909
H   3.36976  2.39776 -1.84957
H   4.03775  4.52734 -0.73625
H   3.77556  4.78478  1.73866
H   2.85032  2.89913  3.09853
H   2.17485  0.76994  1.98994
66
Ph-TS(11''-6)4
C  -3.42426  0.60756  0.56389
C  -3.66624 -0.53032 -0.33083
C  -3.19039 -0.16494 -1.65725
C  -2.64902  1.16818 -1.58412
C  -2.79880  1.64563 -0.21280
Rh -1.47927 -0.21879 -0.19574
P  -0.79632 -1.58665  1.58648
C   0.42346 -2.94121  1.21077
C  -4.49476 -1.74318 -0.02666
C  -3.31545 -0.99949 -2.89767
C  -2.14732  1.97712 -2.74449
C  -2.41434  3.00914  0.27736
C  -3.94076  0.76215  1.96801
B   0.50262 -0.15101 -1.55467
P   1.94252 -0.00690 -0.32358
C   3.44447 -1.01583 -0.56468
C   2.40955  1.69562  0.17910
C  -0.04450 -0.68881  3.03515
C  -2.13189 -2.58356  2.42445
H  -1.63859  1.34850 -3.49126
H  -1.44237  2.75989 -2.42484
H  -2.99506  2.47819 -3.24721
H  -3.22358  3.73266  0.06077
H  -1.50275  3.37927 -0.21742
H  -2.24330  3.02007  1.36469
H  -3.26706  1.37394  2.58864
H  -4.08123 -0.20750  2.46920
H  -4.92547  1.26510  1.95652
H  -5.52705 -1.58586 -0.39310
H  -4.55991 -1.94500  1.05160
H  -4.10513 -2.64364 -0.52804
H  -4.25387 -0.75451 -3.42976
H  -3.33645 -2.07507 -2.66461
H  -2.48325 -0.81568 -3.59505
H   0.65982 -0.60601 -2.66331
H  -0.39486 -1.13432 -1.13160
H   0.65026 -3.50430  2.13058
H   1.35465 -2.52199  0.80497
H  -0.02074 -3.62049  0.46661
H   0.23667 -1.39933  3.83050
H  -0.77292  0.03542  3.43260
H   0.84237 -0.14108  2.68507
H  -2.60682 -3.25984  1.69795
H  -2.89503 -1.91959  2.85564
H  -1.68677 -3.18325  3.23524
H   0.04404  0.97911 -1.45057
C   2.92800  1.93675  1.47324
C   3.29628  3.23461  1.85887
C   3.13694  4.30669  0.96501
C   2.61717  4.07694 -0.31977
C   2.25764  2.77979 -0.71731
H   3.04601  1.10738  2.17917
H   3.70203  3.40884  2.86040
H   3.42239  5.31894  1.26772
H   2.50659  4.90810 -1.02372
H   1.88151  2.60006 -1.72860
C   4.71838 -0.62584 -0.08494
C   5.83023 -1.44974 -0.30144
C   5.68965 -2.67228 -0.98155
C   4.42687 -3.06790 -1.45645
C   3.30818 -2.25158 -1.24682
H   4.84120  0.32925  0.43413
H   6.81385 -1.13333  0.05975
H   6.56189 -3.31263 -1.14441
H   4.31404 -4.01288 -1.99717
H   2.33138 -2.55765 -1.63730
66
Ph-TS(11''-9')2
C   1.11519  2.11279  1.04052
C   1.94292  2.08342 -0.12593
C   3.02901  1.13815  0.12009
C   2.86499  0.56348  1.42456
C   1.63500  1.11954  1.99121
Rh  0.97959 -0.02298  0.28788
P   1.34901 -2.19911 -1.46442
C   0.48138 -3.73633 -0.89293
C   1.82863  2.97229 -1.33253
C   4.20170  0.96664 -0.80275
C   3.84663 -0.29999  2.16856
C   1.17217  0.95006  3.41072
C   0.00492  3.07911  1.32621
B  -0.17199 -0.79389 -1.84455
P  -1.20307 -0.14292 -0.31234
C  -2.18271  1.36994 -0.67835
C  -2.38641 -1.35636  0.41231
C   1.77124 -2.52616 -3.25492
C   3.04954 -2.42449 -0.71881
H   4.48876 -0.88114  1.48938
H   3.33779 -1.00669  2.84270
H   4.51181  0.32785  2.79010
H   1.66559  1.69501  4.06333
H   1.41781 -0.04979  3.79952
H   0.08504  1.09529  3.50307
H  -0.75724  2.64879  1.99370
H  -0.49796  3.41973  0.40895
H   0.42133  3.97104  1.83120
H   2.46026  3.87301 -1.21678
H   0.79310  3.31243 -1.48809
H   2.15813  2.45910 -2.25049
H   4.80822  1.89162 -0.80359
H   3.88948  0.79527 -1.84688
H   4.86626  0.14666 -0.49178
H   0.17288  0.00429 -2.67722
H   0.71387 -1.35932  1.09723
H   1.17275 -4.59070 -0.96124
H  -0.39976 -3.92024 -1.52422
H   0.15615 -3.60586  0.14939
H   2.36980 -3.44755 -3.33509
H   2.35586 -1.68003 -3.64885
H   0.84837 -2.62291 -3.84416
H   2.97396 -2.40750  0.37583
H   3.71719 -1.62246 -1.05942
H   3.44762 -3.39528 -1.06152
H  -0.76345 -1.76315 -2.26618
C  -3.23436  1.75376  0.18462
C  -3.95854  2.92857 -0.06992
C  -3.64208  3.72841 -1.18045
C  -2.59926  3.34868 -2.04317
C  -1.86970  2.17583 -1.79636
H  -3.49535  1.12960  1.04520
H  -4.77372  3.21687  0.60118
H  -4.21233  4.64123 -1.37840
H  -2.36214  3.95968 -2.91997
H  -1.07187  1.87300 -2.48061
C  -3.57992 -1.66016 -0.28138
C  -4.47567 -2.60096  0.24711
C  -4.19423 -3.23686  1.46884
C  -3.01403 -2.93045  2.16489
C  -2.11025 -1.99191  1.64005
H  -3.80803 -1.16391 -1.23048
H  -5.39551 -2.83766 -0.29678
H  -4.89738 -3.96858  1.87874
H  -2.79693 -3.41766  3.12081
H  -1.18795 -1.74790  2.17772
66
Ph-9'
C   2.76223  1.03928  0.19282
C   3.21004  0.03429 -0.69875
C   3.35926 -1.23711  0.05201
C   3.00405 -1.00853  1.41047
C   2.52451  0.38524  1.49850
Rh  1.17643 -0.61547  0.20574
P  -2.17593 -2.48935 -1.47954
C  -3.30949 -2.74301 -0.04364
C   3.56078  0.20317 -2.14760
C   3.88782 -2.50998 -0.53997
C   3.14430 -1.95895  2.56562
C   2.15500  1.09846  2.76159
C   2.60779  2.50381 -0.08197
B  -1.61433 -0.65527 -1.83791
P  -0.86719  0.35938 -0.28206
C  -0.77761  2.12168 -0.86720
C  -2.16783  0.41620  1.04449
C  -3.10216 -3.10796 -2.95603
C  -0.78649 -3.68717 -1.24281
H   3.10200 -3.00923  2.23907
H   2.35374 -1.80749  3.31638
H   4.11674 -1.80310  3.06839
H   3.06171  1.53768  3.22180
H   1.70558  0.41571  3.49864
H   1.44918  1.92150  2.57005
H   1.78631  2.94541  0.50238
H   2.39963  2.70275 -1.14403
H   3.53729  3.03846  0.18898
H   4.65853  0.25774 -2.27322
H   3.13017  1.12575 -2.56462
H   3.21010 -0.64683 -2.75638
H   4.98936 -2.46197 -0.63280
H   3.48759 -2.68521 -1.55212
H   3.64437 -3.38330  0.08386
H  -0.78797 -0.74631 -2.72605
H   0.27037 -1.59009  1.07640
H  -3.64515 -3.79108 -0.00434
H  -4.17927 -2.07700 -0.14867
H  -2.78356 -2.48172  0.88700
H  -3.40383 -4.15726 -2.81291
H  -2.45919 -3.02540 -3.84567
H  -3.99538 -2.48297 -3.10707
H  -0.18186 -3.36190 -0.37944
H  -0.15642 -3.68374 -2.14610
H  -1.17068 -4.70446 -1.06765
H  -2.61724 -0.06677 -2.19216
C  -0.97121  3.19169  0.03421
C  -0.84671  4.51930 -0.40647
C  -0.52484  4.79237 -1.74621
C  -0.33024  3.73207 -2.64718
C  -0.45455  2.40263 -2.21286
H  -1.23946  2.98832  1.07628
H  -1.00875  5.34116  0.29847
H  -0.43440  5.82784 -2.08896
H  -0.09440  3.93908 -3.69616
H  -0.32183  1.58411 -2.92741
C  -3.44213  0.94514  0.73592
C  -4.44803  0.97700  1.71325
C  -4.19459  0.48424  3.00553
C  -2.93005 -0.03769  3.31927
C  -1.91822 -0.06987  2.34371
H  -3.64540  1.33540 -0.26697
H  -5.43147  1.38948  1.46578
H  -4.98097  0.51226  3.76635
H  -2.72611 -0.41584  4.32632
H  -0.93011 -0.47691  2.58188
66
Ph-TS(9'-9)
C  -2.77046 -0.30444  1.16167
C  -3.06316 -1.24423  0.14181
C  -3.55934 -0.50643 -1.04138
C  -3.60089  0.88644 -0.73560
C  -3.01557  1.04771  0.60517
Rh -1.46447  0.27684 -0.60843
P   2.84065 -1.46165 -2.01094
C   3.48059 -2.75124 -0.84846
C  -2.98081 -2.74092  0.23643
C  -4.02202 -1.15812 -2.31116
C  -4.18711  1.98427 -1.57855
C  -2.97314  2.32392  1.39017
C  -2.34961 -0.58981  2.57241
B   1.09266 -0.67022 -1.65377
P   0.73420  0.26688  0.06295
C   1.08571 -0.75404  1.57020
C   1.75394  1.80432  0.23936
C   2.79120 -2.29021 -3.66420
C   4.17665 -0.19309 -2.14458
H  -4.12050  1.75394 -2.65281
H  -3.67580  2.94401 -1.40955
H  -5.25544  2.12489 -1.33038
H  -3.92019  2.45654  1.94821
H  -2.84719  3.19838  0.73410
H  -2.15156  2.32146  2.12283
H  -1.64635  0.16823  2.95167
H  -1.86030 -1.57156  2.66359
H  -3.23197 -0.58746  3.23936
H  -3.98128 -3.17318  0.42547
H  -2.32096 -3.05927  1.05800
H  -2.60728 -3.18974 -0.69870
H  -5.03458 -1.58313 -2.17557
H  -3.36030 -1.98818 -2.60814
H  -4.06928 -0.44146 -3.14485
H   1.01938  0.16790 -2.52893
H  -0.98506  1.54168 -1.42908
H   4.47277 -3.09703 -1.17912
H   2.78559 -3.60475 -0.83418
H   3.55129 -2.33860  0.16891
H   3.78596 -2.68049 -3.93084
H   2.46558 -1.55998 -4.42065
H   2.06565 -3.11751 -3.63472
H   4.26773  0.35436 -1.19434
H   3.90294  0.52421 -2.93349
H   5.13603 -0.67179 -2.39579
H   0.26071 -1.55774 -1.80008
C   1.37098 -0.16355  2.82196
C   1.52615 -0.96357  3.96623
C   1.39026 -2.35846  3.88062
C   1.09029 -2.95382  2.64307
C   0.93447 -2.15821  1.49726
H   1.48119  0.92236  2.90382
H   1.75327 -0.49194  4.92770
H   1.51486 -2.97902  4.77337
H   0.98045 -4.04087  2.56952
H   0.68641 -2.62850  0.53945
C   3.05072  1.75662  0.80228
C   3.83368  2.91924  0.87753
C   3.33506  4.13900  0.38976
C   2.04852  4.19294 -0.16897
C   1.25842  3.03407 -0.23969
H   3.44378  0.81537  1.20161
H   4.83314  2.87181  1.32188
H   3.94620  5.04481  0.45133
H   1.65189  5.14160 -0.54447
H   0.25109  3.07542 -0.66709
66
Ph-9
C   2.58352  1.34432  0.52375
C   3.10251  0.62075 -0.59606
C   3.44613 -0.73138 -0.14143
C   3.14839 -0.82850  1.26220
C   2.55340  0.43955  1.67935
Rh  1.21601 -0.45154  0.20522
B  -0.43306 -0.88341 -1.50944
P  -1.49238 -2.51817 -1.66517
C  -1.60346 -3.53947 -0.13475
C   3.37078  1.16908 -1.97012
C   4.12745 -1.77793 -0.97770
C   3.48884 -1.97920  2.16894
C   2.24259  0.83773  3.09553
C   2.20996  2.79830  0.54859
P  -0.89697  0.37941 -0.09190
C  -2.32792 -0.00939  1.01406
C  -1.15472  2.11292 -0.66243
C  -3.22586 -2.17983 -2.20489
C  -0.76830 -3.62281 -2.95993
H   1.90953 -0.02392  3.69433
H   1.45511  1.60574  3.13881
H   3.14295  1.25547  3.58416
H   3.09837  3.41211  0.78727
H   1.44599  3.01128  1.31190
H   1.81859  3.13888 -0.42268
H   2.72836  2.03499 -2.19351
H   3.20549  0.41209 -2.75345
H   4.42090  1.50538 -2.05553
H   5.22284 -1.62535 -0.96391
H   3.80535 -1.73378 -2.03004
H   3.93040 -2.79306 -0.59986
H   4.49905 -1.83831  2.59606
H   3.48669 -2.93989  1.63132
H   2.78121 -2.05956  3.00800
H   0.74162 -1.41990 -1.19756
H   0.48812 -1.55367  1.08073
H  -3.76273 -3.12505 -2.38052
H  -3.20722 -1.58816 -3.13304
H  -3.73818 -1.60403 -1.41867
H  -1.38087 -4.53005 -3.08034
H   0.25318 -3.90726 -2.66344
H  -0.72370 -3.07805 -3.91540
H  -2.12528 -2.96659  0.64682
H  -0.58411 -3.76462  0.21461
H  -2.14661 -4.47499 -0.34075
H  -0.33716 -0.40985 -2.61836
C  -1.68059  3.07506  0.22977
C  -1.81043  4.41313 -0.17277
C  -1.41386  4.80631 -1.46152
C  -0.88398  3.85526 -2.34982
C  -0.75111  2.51517 -1.95495
H  -1.99996  2.77875  1.23413
H  -2.22383  5.14921  0.52398
H  -1.51985  5.84978 -1.77389
H  -0.58091  4.15441 -3.35838
H  -0.34518  1.77867 -2.65488
C  -3.64058  0.36110  0.63749
C  -4.72735  0.03937  1.46547
C  -4.51698 -0.64697  2.67417
C  -3.21473 -1.00559  3.05817
C  -2.12191 -0.68545  2.23466
H  -3.81031  0.91596 -0.29147
H  -5.73968  0.33125  1.16815
H  -5.36640 -0.89187  3.31935
H  -3.04498 -1.52498  4.00677
H  -1.10242 -0.95240  2.53270
83
Cy-10
C   2.80633  1.82354  0.93636
C   3.80446  0.79940  0.65672
C   3.48735 -0.36648  1.49482
C   2.27233 -0.10229  2.18940
C   1.83543  1.25062  1.82144
Rh  1.90020  0.04216 -0.13167
B  -0.53015 -0.83358  0.10776
P  -2.30626 -0.30268 -0.57162
C  -3.55784 -1.55124  0.07663
C   5.09778  1.03458 -0.07239
C   4.39411 -1.54586  1.70526
C   1.61933 -0.96478  3.23127
C   0.66235  1.95893  2.43593
C   2.85432  3.24355  0.45125
P   2.33835 -1.77487 -1.49976
C   4.00808 -1.78293 -2.32345
C   1.80323  1.16662 -1.93058
C   2.28216 -3.43360 -0.65531
C   1.20838 -2.04237 -2.95640
C  -2.83605  1.47108 -0.26423
H   1.85320  3.70143  0.41352
H   3.30070  3.31931 -0.55285
H   3.47139  3.85677  1.13345
H   5.81830  1.56151  0.58098
H   4.95279  1.65843 -0.96881
H   5.57205  0.09228 -0.38634
H   4.92509 -1.84017  0.78585
H   3.85014 -2.42290  2.08874
H   5.16910 -1.29019  2.45181
H   1.85333 -0.59288  4.24621
H   1.96462 -2.00871  3.17322
H   0.52228 -0.96954  3.12616
H   0.94249  2.36593  3.42558
H  -0.18651  1.27444  2.59068
H   0.32156  2.80371  1.81738
H  -0.61305 -0.68458  1.30580
H  -2.42330 -0.42570 -1.99641
H   1.47591 -2.98178 -3.46636
H   1.30735 -1.20594 -3.66375
H   0.16798 -2.09944 -2.60434
H   4.11096 -2.66305 -2.97908
H   4.80278 -1.80837 -1.56267
H   4.12186 -0.86659 -2.92284
H   1.28070 -3.57624 -0.22200
H   3.02665 -3.46177  0.15362
H   2.49530 -4.24208 -1.37396
H   2.80225  1.23517 -2.39523
H   1.09817  0.75245 -2.66854
H   1.46454  2.18190 -1.66752
H   0.19546  0.03365 -0.53010
H  -0.44036 -1.98976 -0.24624
C  -4.27647  1.79673 -0.72368
H  -2.77080  1.58585  0.83669
C  -4.62422  3.27326 -0.43285
H  -4.36388  1.60396 -1.81115
H  -5.00551  1.13761 -0.22215
C  -3.61007  4.23797 -1.07269
H  -5.64532  3.48639 -0.79459
H  -4.64126  3.42966  0.66372
C  -2.17373  3.90597 -0.62882
H  -3.67826  4.16468 -2.17574
H  -3.85909  5.28148 -0.81236
C  -1.81362  2.43351 -0.92061
H  -1.44846  4.56830 -1.13411
H  -2.07199  4.09581  0.45829
H  -1.81647  2.27037 -2.01691
H  -0.79080  2.21067 -0.56953
C  -4.75239 -1.81365 -0.87049
H  -2.94718 -2.47579  0.12476
C  -5.65148 -2.93175 -0.29978
H  -5.34920 -0.89074 -0.99015
H  -4.39075 -2.09082 -1.87742
C  -6.11912 -2.61122  1.13230
H  -6.51804 -3.08175 -0.96740
H  -5.08682 -3.88470 -0.29873
C  -4.92362 -2.34048  2.06515
H  -6.77786 -1.72063  1.11243
H  -6.72960 -3.44158  1.52782
C  -4.01785 -1.21695  1.51645
H  -5.27296 -2.06961  3.07703
H  -4.32478 -3.26563  2.17578
H  -4.58410 -0.26564  1.51607
H  -3.14490 -1.07397  2.17867
83
Cy-TS(10-11'')1
C   2.49680  2.00667  0.60668
C   3.67475  1.22516  0.25428
C   3.68566  0.06393  1.09546
C   2.50518  0.10316  1.95803
C   1.80760  1.34067  1.68579
Rh  1.75344 -0.02442 -0.17834
B  -0.31594 -0.80770  0.31866
P  -2.06078 -0.23230 -0.45124
C  -3.34007 -1.50789  0.09635
C   4.72675  1.64507 -0.73436
C   4.81455 -0.91823  1.23635
C   2.21545 -0.82273  3.10671
C   0.67887  1.89662  2.50512
C   2.18741  3.37116  0.05897
P   2.09260 -2.13817 -1.06210
C   3.73155 -2.34761 -1.93001
C   1.29031  0.73535 -2.24029
C   2.08411 -3.56056  0.13754
C   0.92320 -2.71194 -2.39414
C  -2.66478  1.52243 -0.14296
H   1.12877  3.64305  0.19098
H   2.43232  3.45077 -1.01299
H   2.78983  4.13595  0.58338
H   5.39774  2.40830 -0.29867
H   4.28172  2.08856 -1.64157
H   5.35549  0.79811 -1.05080
H   5.46805 -0.93501  0.35066
H   4.46172 -1.94347  1.43072
H   5.44493 -0.63062  2.09830
H   2.59023 -0.39648  4.05609
H   2.69807 -1.80371  2.97568
H   1.13266 -0.99278  3.22262
H   1.07851  2.39042  3.41045
H  -0.01074  1.10476  2.83674
H   0.09695  2.65070  1.95272
H  -0.45951 -0.55673  1.49863
H  -2.14207 -0.32312 -1.88431
H   1.19363 -3.73220 -2.71099
H   0.99350 -2.04017 -3.26310
H  -0.10697 -2.70990 -2.01157
H   3.81323 -3.35889 -2.36149
H   4.55528 -2.19342 -1.21846
H   3.81543 -1.60258 -2.73647
H   1.11698 -3.58157  0.66083
H   2.88645 -3.41982  0.87769
H   2.24545 -4.51386 -0.39174
H   2.29151  0.56945 -2.66457
H   0.56081  0.26366 -2.91968
H   1.08152  1.81334 -2.19169
H   0.47707  0.21055 -1.12302
H  -0.41445 -2.00179  0.09611
C  -4.09659  1.81411 -0.65131
H  -2.64371  1.62425  0.96095
C  -4.49892  3.27717 -0.36183
H  -4.14070  1.62905 -1.74285
H  -4.82499  1.13166 -0.18216
C  -3.49158  4.27869 -0.95377
H  -5.51121  3.46307 -0.76159
H  -4.56374  3.42345  0.73423
C  -2.06468  3.98452 -0.45652
H  -3.51406  4.21318 -2.05931
H  -3.78199  5.31187 -0.69529
C  -1.65384  2.52616 -0.74892
H  -1.34045  4.67418 -0.92633
H  -2.01155  4.16528  0.63563
H  -1.61206  2.37705 -1.84683
H  -0.64072  2.32526 -0.35946
C  -4.48319 -1.76266 -0.91393
H  -2.72150 -2.42656  0.15006
C  -5.38090 -2.91847 -0.42134
H  -5.09671 -0.85097 -1.03252
H  -4.06956 -1.99830 -1.91166
C  -5.92389 -2.65268  0.99567
H  -6.21090 -3.06875 -1.13405
H  -4.79352 -3.85775 -0.42067
C  -4.78096 -2.38352  1.99282
H  -6.60153 -1.77652  0.96973
H  -6.53328 -3.50803  1.33605
C  -3.87519 -1.22577  1.52111
H  -5.18501 -2.15103  2.99387
H  -4.16705 -3.29848  2.10574
H  -4.46105 -0.28634  1.52198
H  -3.03680 -1.08527  2.22685
83
Cy-INT(10-11'')
C   2.57305  1.97160  0.50431
C   3.73299  1.16039  0.09432
C   3.75954  0.01131  0.91616
C   2.58514  0.06817  1.82797
C   1.93165  1.35951  1.62606
Rh  1.70751 -0.09205 -0.12318
B  -0.29415 -0.74013  0.57670
P  -1.96335 -0.19420 -0.33977
C  -3.32449 -1.43247  0.09296
C   4.73176  1.56636 -0.95251
C   4.85183 -1.01501  1.00298
C   2.37267 -0.82487  3.01574
C   0.90684  1.97482  2.53310
C   2.27564  3.32646 -0.07002
P   1.82504 -2.26380 -0.91255
C   3.35186 -2.61276 -1.93487
C   1.14344  0.79934 -2.71095
C   1.86389 -3.64760  0.33009
C   0.49188 -2.81810 -2.09338
C  -2.53371  1.57557 -0.04859
H   1.27666  3.69151  0.21008
H   2.35482  3.33528 -1.16978
H   3.01377  4.05919  0.30720
H   5.41468  2.34600 -0.56621
H   4.24376  1.98718 -1.84810
H   5.35353  0.71726 -1.27620
H   5.46402 -1.05012  0.08847
H   4.46329 -2.02665  1.20143
H   5.52944 -0.76638  1.84124
H   2.90412 -0.41653  3.89669
H   2.75973 -1.84092  2.84244
H   1.30514 -0.90297  3.27224
H   1.40486  2.43930  3.40465
H   0.19856  1.22196  2.91186
H   0.32621  2.76237  2.02728
H  -0.47136 -0.28749  1.69449
H  -1.95620 -0.26948 -1.77700
H   0.69660 -3.84594 -2.43457
H   0.47131 -2.14868 -2.96670
H  -0.48289 -2.78718 -1.58725
H   3.33499 -3.64865 -2.31249
H   4.25567 -2.46739 -1.32536
H   3.38547 -1.91735 -2.78815
H   0.95310 -3.60400  0.94491
H   2.74429 -3.53559  0.98118
H   1.92227 -4.61941 -0.18658
H   2.20801  0.55155 -2.80474
H   0.57053  0.28484 -3.49651
H   1.00043  1.88645 -2.78336
H   0.67849  0.47866 -1.72742
H  -0.45634 -1.95166  0.58948
C  -3.94577  1.92234 -0.57208
H  -2.52421  1.67253  1.05581
C  -4.29887  3.39507 -0.26714
H  -3.98366  1.75175 -1.66610
H  -4.70334  1.26186 -0.11868
C  -3.24943  4.36885 -0.83171
H  -5.29893  3.62409 -0.67525
H  -4.37080  3.52777  0.83025
C  -1.83918  4.01662 -0.32309
H  -3.26063  4.32057 -1.93841
H  -3.50599  5.40792 -0.56098
C  -1.48071  2.54793 -0.63199
H  -1.08645  4.68733 -0.77599
H  -1.79235  4.18093  0.77195
H  -1.44016  2.41189 -1.73173
H  -0.47904  2.29473 -0.24061
C  -4.44249 -1.57647 -0.96422
H  -2.75217 -2.38241  0.11781
C  -5.42539 -2.69728 -0.55996
H  -4.99956 -0.62735 -1.06238
H  -4.00602 -1.79050 -1.95729
C  -6.00127 -2.46285  0.84932
H  -6.23702 -2.76297 -1.30599
H  -4.89705 -3.67089 -0.58384
C  -4.88081 -2.32046  1.89537
H  -6.61793 -1.54224  0.84454
H  -6.67821 -3.28978  1.12660
C  -3.88663 -1.20056  1.51697
H  -5.30454 -2.11464  2.89423
H  -4.33042 -3.27819  1.97888
H  -4.41039 -0.22570  1.55889
H  -3.06138 -1.15470  2.25022
83
Cy-TS(10-11'')2
C   3.67662  1.08045 -0.15187
C   3.88397 -0.11182  0.56610
C   2.91490 -0.13411  1.69717
C   2.24446  1.16762  1.74075
C   2.62843  1.85452  0.55134
Rh  1.62072 -0.15903  0.01157
B  -0.32621 -0.64384  0.86487
P  -1.92206 -0.12310 -0.19426
C  -2.55741  1.63848  0.01611
C   4.95864 -1.13695  0.34837
C   2.92164 -1.12820  2.81899
C   1.45003  1.70039  2.89592
C   2.22026  3.23814  0.14088
C   4.42229  1.56679 -1.36162
P   1.52348 -2.26127 -0.96625
C   1.73386 -3.70467  0.18840
C   0.00017 -2.75354 -1.92317
C   2.84629 -2.55743 -2.25077
C  -3.31504 -1.35779  0.15499
C   0.80755  1.15912 -3.15028
H   1.32539  3.58305  0.67788
H   2.02474  3.30351 -0.94183
H   3.03997  3.94783  0.36204
H   5.17757  2.32380 -1.07813
H   3.75004  2.04380 -2.09359
H   4.95218  0.74835 -1.87319
H   5.37798 -1.08946 -0.66869
H   4.60357 -2.16439  0.53093
H   5.79215 -0.96092  1.05415
H   3.65373 -0.81987  3.59076
H   3.21029 -2.13372  2.47668
H   1.93394 -1.19593  3.29975
H   2.13295  2.03861  3.69740
H   0.78202  0.93521  3.32158
H   0.82999  2.56305  2.60653
H  -0.48269 -0.04176  1.91359
H  -1.79951 -0.22815 -1.62316
H   0.15084 -3.74476 -2.38102
H  -0.19655 -2.01681 -2.71688
H  -0.86161 -2.79715 -1.24199
H   2.76769 -3.57689 -2.66352
H   3.84136 -2.42525 -1.80264
H   2.72680 -1.82570 -3.06444
H   0.95770 -3.64664  0.96594
H   2.72446 -3.65955  0.66700
H   1.64482 -4.65482 -0.36311
H   1.67595  1.07177 -3.81950
H  -0.02661  0.56109 -3.54499
H   0.50081  2.21234 -3.07178
H   1.09460  0.78824 -2.14005
H  -0.53460 -1.84158  1.00776
C  -3.51809  2.09983 -1.10598
H  -3.10839  1.60891  0.97780
C  -4.02132  3.53720 -0.84875
H  -2.98016  2.06528 -2.07429
H  -4.37890  1.41758 -1.19985
C  -2.85781  4.52903 -0.67306
H  -4.67647  3.85018 -1.68080
H  -4.65020  3.54185  0.06304
C  -1.89134  4.05983  0.42971
H  -2.30502  4.61909 -1.62930
H  -3.24524  5.53627 -0.44023
C  -1.38097  2.62779  0.16401
H  -1.03465  4.75368  0.51181
H  -2.40741  4.08381  1.40962
H  -0.78563  2.62114 -0.77080
H  -0.70904  2.29062  0.97134
C  -4.44689 -1.42288 -0.89218
H  -2.76103 -2.31905  0.12578
C  -5.42198 -2.57286 -0.55442
H  -5.01113 -0.47186 -0.89428
H  -4.03357 -1.55218 -1.90928
C  -5.98929 -2.42630  0.87012
H  -6.23827 -2.59596 -1.29781
H  -4.88835 -3.53987 -0.64262
C  -4.86458 -2.33006  1.91712
H  -6.61572 -1.51384  0.92046
H  -6.65560 -3.27486  1.10444
C  -3.87178 -1.19241  1.58891
H  -5.28570 -2.17106  2.92551
H  -4.31200 -3.28935  1.95588
H  -4.39854 -0.22118  1.66855
H  -3.04714 -1.17650  2.32382
78
Cy-11''
C  -2.08383 -0.89866 -2.10000
C  -1.85057  0.50464 -2.19667
C  -2.88289  1.20328 -1.39027
C  -3.71750  0.24335 -0.77972
C  -3.15509 -1.08124 -1.10772
Rh -1.48309 -0.19485 -0.06959
B   0.36097 -1.32159 -0.30417
P   1.91016 -0.42822  0.50107
C   1.91814  1.42328  0.20011
C  -0.86936  1.18185 -3.11113
C  -3.05032  2.69356 -1.34032
C  -4.99439  0.50572 -0.03165
C  -3.81134 -2.39772 -0.80993
C  -1.48589 -1.98744 -2.94105
P  -1.69865 -0.96453  2.12036
C  -3.42786 -0.91190  2.82259
C  -1.21123 -2.72097  2.50643
C  -0.79697 -0.01556  3.45800
C   3.52462 -1.22639 -0.06593
H  -2.08214  3.21709 -1.28760
H  -3.66066  3.00962 -0.48051
H  -3.55725  3.05145 -2.25646
H  -5.84049  0.59241 -0.73898
H  -4.95353  1.44505  0.54333
H  -5.24320 -0.30797  0.66552
H  -4.33986 -2.38949  0.15598
H  -3.08404 -3.22400 -0.80512
H  -4.56457 -2.62294 -1.58951
H  -2.18167 -2.24089 -3.76311
H  -1.29882 -2.90363 -2.35995
H  -0.53188 -1.67795 -3.39166
H  -1.31953  1.36153 -4.10549
H   0.03035  0.56399 -3.25867
H  -0.55274  2.16147 -2.71777
H   0.39971 -2.45899  0.12826
H   0.68854 -1.26754 -1.48133
H   2.02767 -0.48794  1.93318
H  -1.01678 -0.46213  4.44187
H  -1.13222  1.03338  3.45700
H   0.28943 -0.04494  3.28899
H  -3.41596 -1.22326  3.87996
H  -4.08369 -1.59483  2.26225
H  -3.82791  0.11025  2.74707
H  -0.14094 -2.86203  2.29864
H  -1.77637 -3.40447  1.85422
H  -1.42542 -2.95646  3.56169
C   3.10288  2.19808  0.82629
H   1.96411  1.52066 -0.90372
C   3.00246  3.70758  0.51688
H   3.09885  2.04333  1.92324
H   4.06318  1.80244  0.45392
C   1.65422  4.29612  0.96850
H   3.83730  4.24007  1.00498
H   3.12672  3.86271 -0.57265
C   0.46904  3.51729  0.35882
H   1.58489  4.25531  2.07311
H   1.58560  5.36189  0.68927
C   0.58132  2.01787  0.68980
H  -0.48986  3.91691  0.73403
H   0.46888  3.65201 -0.74078
H   0.48761  1.87598  1.78151
H  -0.29503  1.46763  0.21735
C   4.66181 -1.17394  0.98017
H   3.21630 -2.28423 -0.19318
C   5.89766 -1.94735  0.46953
H   4.94549 -0.12223  1.17558
H   4.31929 -1.59507  1.94304
C   6.36322 -1.42977 -0.90399
H   6.71229 -1.87100  1.21107
H   5.64338 -3.02256  0.39124
C   5.22244 -1.47624 -1.93744
H   6.72213 -0.38660 -0.80052
H   7.22410 -2.02136 -1.26128
C   3.98072 -0.69931 -1.44709
H   5.55671 -1.06242 -2.90521
H   4.93764 -2.52959 -2.12684
H   4.23838  0.37497 -1.36855
H   3.15979 -0.78503 -2.18164
78
Cy-TS(11''-11)
C  -2.52622 -0.40647 -2.12113
C  -2.90375  0.92730 -1.79156
C  -3.91969  0.88976 -0.70304
C  -4.12513 -0.45461 -0.34000
C  -3.15797 -1.26731 -1.11229
Rh -1.82753  0.03125 -0.04131
B   0.20267 -0.21577 -0.71670
P   1.93613 -0.03195  0.22072
C   2.81243  1.56707 -0.24344
C  -2.48308  2.17516 -2.50713
C  -4.63418  2.10016 -0.17933
C  -5.16155 -1.00501  0.59552
C  -3.08301 -2.76323 -1.08944
C  -1.70836 -0.84901 -3.29757
P  -1.42203 -0.40032  2.21305
C  -2.92658 -0.64680  3.28932
C  -0.41414 -1.90273  2.66497
C  -0.57867  0.98747  3.13952
C   3.00860 -1.55410 -0.07438
H  -3.93891  2.93587  0.00654
H  -5.17056  1.88620  0.75787
H  -5.37901  2.45965 -0.91424
H  -6.07068 -1.28388  0.03041
H  -5.46368 -0.27318  1.36051
H  -4.81457 -1.91601  1.10822
H  -3.28712 -3.16810 -0.08587
H  -2.09424 -3.12088 -1.41380
H  -3.83950 -3.18921 -1.77714
H  -2.32247 -0.82375 -4.21605
H  -1.33577 -1.87608 -3.16943
H  -0.83410 -0.19635 -3.45268
H  -3.25226  2.46670 -3.24761
H  -1.53405  2.03242 -3.04492
H  -2.36553  3.02235 -1.81161
H   0.29497 -1.32305 -1.22227
H   0.25832  0.68426 -1.55002
H   1.96386  0.05308  1.65752
H  -0.41492  0.70047  4.19153
H  -1.22027  1.88196  3.10451
H   0.38535  1.23235  2.67169
H  -2.62343 -0.76298  4.34286
H  -3.47368 -1.54699  2.97334
H  -3.59238  0.22470  3.19814
H   0.58869 -1.82889  2.22109
H  -0.90876 -2.79687  2.25492
H  -0.32574 -2.00033  3.75967
C   4.24833  1.71187  0.30681
H   2.84544  1.54103 -1.35121
C   4.87000  3.06391 -0.10938
H   4.22598  1.64364  1.41260
H   4.88564  0.88571 -0.05132
C   3.99095  4.25344  0.31528
H   5.88074  3.15112  0.32674
H   5.00113  3.07759 -1.20913
C   2.56104  4.10694 -0.23454
H   3.95460  4.30754  1.42130
H   4.43836  5.20184 -0.02997
C   1.92727  2.76357  0.18793
H   1.92292  4.93967  0.11125
H   2.58208  4.16436 -1.34047
H   1.81875  2.75159  1.29199
H   0.91403  2.66413 -0.24002
C   4.10870 -1.81421  0.97960
H   2.25599 -2.36684  0.00422
C   4.82564 -3.15071  0.68913
H   4.85091 -0.99534  0.96310
H   3.67401 -1.82530  1.99645
C   5.39288 -3.18958 -0.74281
H   5.62983 -3.30651  1.42977
H   4.10889 -3.98479  0.82406
C   4.29521 -2.91752 -1.78847
H   6.18993 -2.42643 -0.84177
H   5.87057 -4.16595 -0.93640
C   3.56845 -1.58308 -1.51727
H   4.72267 -2.90504 -2.80661
H   3.55492 -3.74144 -1.76792
H   4.28123 -0.74661 -1.65392
H   2.75283 -1.43450 -2.24776
78
Cy-11
C   4.12600 -0.23754 -0.40195
C   3.57885  1.11427 -0.27070
C   2.71577  1.37785 -1.42158
C   2.62034  0.15506 -2.16671
C   3.49577 -0.84113 -1.52502
Rh  1.78234 -0.17292 -0.10075
B  -0.17948 -0.09834 -0.60172
P  -1.94295 -0.09154  0.25762
C  -3.12588 -1.38629 -0.42968
C   4.08111  2.17123  0.67400
C   2.15069  2.71697 -1.80487
C   1.91276 -0.03697 -3.47797
C   3.75542 -2.22233 -2.05514
C   5.23399 -0.83361  0.42072
P   1.47217 -0.38053  2.18537
C   0.61662  1.01231  3.09161
C   0.52134 -1.88928  2.74153
C   3.00938 -0.56260  3.22816
C  -2.64353  1.65277  0.09740
H   2.85606 -2.66043 -2.51509
H   4.10091 -2.90497 -1.26336
H   4.54041 -2.19267 -2.83433
H   6.21194 -0.63951 -0.05862
H   5.13279 -1.92629  0.52065
H   5.28214 -0.40178  1.43145
H   4.44252  1.74455  1.62260
H   3.30444  2.91698  0.90413
H   4.93279  2.71155  0.21901
H   2.89255  3.28893 -2.39407
H   1.89578  3.32062 -0.91992
H   1.24472  2.61535 -2.42122
H   2.59462  0.18293 -4.32004
H   1.04230  0.63102 -3.57169
H   1.55739 -1.07235 -3.60257
H  -0.46310  0.21419 -1.74405
H  -1.99306 -0.34819  1.66781
H   0.38749 -1.89046  3.83592
H   1.08211 -2.78783  2.44004
H  -0.46355 -1.92064  2.25331
H   2.73317 -0.70497  4.28605
H   3.63117  0.34140  3.14332
H   3.59003 -1.43125  2.88370
H  -0.39080  1.16226  2.67616
H   1.19184  1.93855  2.93636
H   0.54321  0.80332  4.17204
H   0.44970 -1.28990 -0.45431
C  -4.51706 -1.37023  0.24487
H  -3.23111 -1.11625 -1.49943
C  -5.43261 -2.45984 -0.35667
H  -4.39647 -1.55078  1.33144
H  -4.99362 -0.38078  0.13684
C  -4.79081 -3.85571 -0.27137
H  -6.40588 -2.44552  0.16453
H  -5.64067 -2.21275 -1.41602
C  -3.40174 -3.86840 -0.93499
H  -4.69274 -4.15106  0.79181
H  -5.44667 -4.60642 -0.74535
C  -2.47418 -2.78864 -0.33691
H  -2.92594 -4.85892 -0.82655
H  -3.50879 -3.68855 -2.02255
H  -2.27866 -3.02913  0.72792
H  -1.49679 -2.79592 -0.85191
C  -3.54910  2.06708  1.28177
H  -1.72870  2.27922  0.12351
C  -4.01161  3.53128  1.12103
H  -4.43576  1.40687  1.32661
H  -3.01236  1.94024  2.24002
C  -4.70624  3.76152 -0.23414
H  -4.68577  3.79576  1.95448
H  -3.13270  4.20061  1.20312
C  -3.79859  3.34375 -1.40557
H  -5.64452  3.17367 -0.26951
H  -4.99775  4.82117 -0.33692
C  -3.33596  1.87682 -1.26949
H  -4.32206  3.47303 -2.36905
H  -2.90995  4.00409 -1.43963
H  -4.21848  1.21370 -1.35135
H  -2.65485  1.61101 -2.09747
78
Cy-TS(11-11')
C  -4.08564  0.29597 -0.28227
C  -3.59876 -0.96247 -0.84790
C  -2.71225 -0.64865 -1.94962
C  -2.56176  0.78680 -1.99304
C  -3.42736  1.36433 -0.95891
Rh -1.72513  0.08323 -0.02029
B   0.15780 -0.02908 -0.57497
P   1.93723 -0.01315  0.28334
C   2.92537  1.54143 -0.10511
C  -4.14713 -2.32996 -0.54068
C  -2.14918 -1.62763 -2.94294
C  -1.84658  1.56645 -3.06212
C  -3.68113  2.83302 -0.75854
C  -5.20331  0.44454  0.71392
P  -1.47141 -0.69633  2.13827
C  -0.52619 -2.28608  2.40477
C  -0.66795  0.47303  3.35114
C  -3.04648 -1.08373  3.05717
C   2.84959 -1.58394 -0.22632
H  -2.79736  3.43923 -1.01059
H  -3.96134  3.06026  0.28180
H  -4.51011  3.17287 -1.40746
H  -6.16529  0.58363  0.18564
H  -5.06490  1.32172  1.36687
H  -5.31554 -0.44487  1.35206
H  -4.49110 -2.41417  0.50239
H  -3.40060 -3.11992 -0.71765
H  -5.01926 -2.54910 -1.18512
H  -2.83563 -1.73958 -3.80307
H  -2.00993 -2.62565 -2.49893
H  -1.17737 -1.29351 -3.33913
H  -2.51637  1.73996 -3.92459
H  -0.96069  1.02884 -3.43534
H  -1.51762  2.55193 -2.69677
H   0.43955 -0.02348 -1.76162
H   1.95186 -0.05761  1.71599
H  -0.58201  0.01058  4.34837
H  -1.28790  1.38052  3.41869
H   0.33127  0.76762  2.99773
H  -2.81393 -1.40202  4.08681
H  -3.59029 -1.89214  2.54588
H  -3.68172 -0.18654  3.08752
H   0.51225 -2.16671  2.06089
H  -0.99765 -3.08131  1.80672
H  -0.52658 -2.57536  3.46908
H  -0.76449  1.29667  0.41036
C   4.30242  1.59003  0.59797
H   3.07223  1.49845 -1.20276
C   5.05063  2.89551  0.24669
H   4.15216  1.53501  1.69424
H   4.91805  0.71841  0.31522
C   4.21055  4.14267  0.57559
H   6.01270  2.91842  0.78790
H   5.29794  2.89066 -0.83276
C   2.83897  4.08585 -0.12086
H   4.06347  4.20859  1.67159
H   4.75330  5.05627  0.27729
C   2.07482  2.79237  0.23187
H   2.22384  4.95971  0.15694
H   2.97782  4.13506 -1.21862
H   1.84005  2.79270  1.31523
H   1.10871  2.76117 -0.30266
C   3.82508 -2.10978  0.85413
H   2.02651 -2.31973 -0.33792
C   4.46560 -3.43932  0.39997
H   4.62173 -1.36337  1.03375
H   3.29813 -2.24807  1.81622
C   5.15524 -3.29791 -0.96988
H   5.18507 -3.77832  1.16575
H   3.68055 -4.21852  0.33974
C   4.17895 -2.76723 -2.03583
H   6.01227 -2.60212 -0.87864
H   5.57360 -4.26887 -1.28674
C   3.53851 -1.42992 -1.60431
H   4.69477 -2.62908 -3.00210
H   3.37898 -3.51301 -2.21028
H   4.32812 -0.65706 -1.53713
H   2.81508 -1.08837 -2.36607
78
Cy-11'
C   4.05565  0.37876  0.21735
C   3.61446 -0.69864  1.09888
C   2.68202 -0.15002  2.05413
C   2.47603  1.24340  1.71717
C   3.34364  1.56310  0.58260
Rh  1.70707  0.04372 -0.03448
B  -0.14400 -0.09121  0.59698
P  -1.92035 -0.05920 -0.27555
C  -2.78649  1.59914 -0.06119
C   4.22112 -2.07401  1.17468
C   2.13236 -0.85308  3.26354
C   1.72015  2.24690  2.54575
C   3.55842  2.93900  0.01254
C   5.17660  0.30483 -0.78434
P   1.49980 -1.34047 -1.86863
C   0.48338 -2.89573 -1.67990
C   0.77734 -0.56217 -3.40193
C   3.08155 -2.04546 -2.56318
C  -2.96742 -1.50067  0.34782
H   2.64717  3.55360  0.07249
H   3.87197  2.90033 -1.04235
H   4.35109  3.46699  0.57508
H   6.12645  0.63575 -0.32414
H   4.99514  0.95563 -1.65518
H   5.33976 -0.72012 -1.15110
H   4.62736 -2.40260  0.20545
H   3.49304 -2.82750  1.51460
H   5.06238 -2.08279  1.89290
H   2.75879 -0.64200  4.15016
H   2.11125 -1.94535  3.12522
H   1.10820 -0.52214  3.50011
H   2.38298  2.68898  3.31284
H   0.87069  1.78381  3.07193
H   1.33094  3.07384  1.93108
H  -0.41102 -0.07083  1.78685
H  -1.90918 -0.22885 -1.69891
H   0.70597 -1.29644 -4.22120
H   1.42700  0.27190 -3.70929
H  -0.22175 -0.15565 -3.18507
H   2.85849 -2.65319 -3.45565
H   3.57486 -2.68080 -1.81226
H   3.75986 -1.22635 -2.84423
H  -0.56156 -2.63041 -1.45767
H   0.88068 -3.47786 -0.83414
H   0.51578 -3.50571 -2.59804
H   0.97821  1.08742 -0.96609
C  -4.17239  1.66236 -0.74531
H  -2.91157  1.69924  1.03530
C  -4.81660  3.05247 -0.54546
H  -4.05192  1.46409 -1.82853
H  -4.84203  0.88003 -0.34797
C  -3.89928  4.18542 -1.03935
H  -5.78811  3.07962 -1.06933
H  -5.03616  3.19683  0.53038
C  -2.51859  4.11342 -0.36227
H  -3.77502  4.10629 -2.13725
H  -4.36874  5.16578 -0.84758
C  -1.85725  2.73366 -0.56306
H  -1.84963  4.89848 -0.75655
H  -2.62790  4.30825  0.72259
H  -1.64968  2.58254 -1.64129
H  -0.88219  2.69314 -0.04659
C  -3.98098 -2.02947 -0.69398
H  -2.21022 -2.29274  0.52465
C  -4.72544 -3.26407 -0.14030
H  -4.71436 -1.23789 -0.93605
H  -3.46733 -2.28497 -1.63907
C  -5.39875 -2.96301  1.21161
H  -5.47124 -3.60377 -0.88013
H  -4.00465 -4.09614 -0.01625
C  -4.38308 -2.42809  2.23774
H  -6.20097 -2.21339  1.06424
H  -5.88950 -3.87154  1.60146
C  -3.63983 -1.18281  1.70592
H  -4.88511 -2.17560  3.18800
H  -3.64287 -3.21772  2.47302
H  -4.36522 -0.35707  1.57489
H  -2.88955 -0.84077  2.44123
78
Cy-TS(11''-9')1
C  -3.64770 -0.64390  0.26232
C  -2.97216 -1.23187  1.35449
C  -1.89457 -2.06680  0.80327
C  -1.95524 -2.05830 -0.63084
C  -2.97075 -1.08100 -0.99214
Rh -1.46572  0.06234  0.01063
P  -1.84081  2.34832 -0.17863
C  -2.49526  2.93192 -1.82000
C  -3.31603 -1.12455  2.81382
C  -1.01259 -2.92759  1.65987
C  -1.24617 -2.96938 -1.59188
C  -3.49823 -0.86374 -2.37914
C  -4.93785  0.12097  0.29913
B   0.10415  0.40866 -1.43775
P   1.47615  0.05035 -0.05250
C   2.14482 -1.70968 -0.11492
C   3.00481  1.17445  0.17759
C  -3.07889  3.05530  1.02888
C  -0.41585  3.51158  0.12028
H  -4.98596  0.90560 -0.47302
H  -5.12315  0.58007  1.28232
H  -5.77816 -0.57021  0.09759
H  -3.88754 -2.00965  3.15158
H  -3.93206 -0.23634  3.02332
H  -2.41447 -1.06338  3.44540
H  -0.62397 -2.37523  2.53149
H  -0.16169 -3.34551  1.10241
H  -1.59747 -3.77835  2.05751
H  -0.79901 -2.41393 -2.43206
H  -1.95705 -3.70427 -2.01245
H  -0.44518 -3.54287 -1.09966
H  -4.25985 -1.63236 -2.61604
H  -2.69790 -0.94140 -3.13019
H  -3.98147  0.11893 -2.49010
H   0.20273 -0.48356 -2.25876
H   0.91811  0.09478  1.28645
H  -0.75621  4.55195 -0.00942
H   0.39554  3.30031 -0.58960
H  -0.05120  3.38074  1.15093
H  -2.59812  4.02947 -1.82523
H  -3.48123  2.48027 -2.00957
H  -1.79941  2.61554 -2.61082
H  -2.72627  2.87467  2.05616
H  -4.05990  2.57790  0.90196
H  -3.18576  4.14091  0.86830
H   0.28381  1.51732 -1.89935
C   2.81023 -2.16139  1.20321
H   1.23606 -2.31537 -0.29280
C   3.30324 -3.62158  1.09658
H   3.67539 -1.50659  1.42672
H   2.10720 -2.05418  2.04970
C   4.24322 -3.81781 -0.10725
H   3.80572 -3.91123  2.03616
H   2.42735 -4.29244  0.99019
C   3.57663 -3.35893 -1.41683
H   5.17220 -3.23654  0.05545
H   4.54742 -4.87624 -0.18347
C   3.09084 -1.89548 -1.32661
H   4.27457 -3.46169 -2.26607
H   2.71190 -4.01410 -1.64137
H   3.97280 -1.23457 -1.21352
H   2.58236 -1.59800 -2.26064
C   2.94024  2.05960  1.43967
H   3.81927  0.43583  0.32170
C   4.24766  2.86622  1.60234
H   2.09050  2.76311  1.35531
H   2.75817  1.44124  2.33763
C   4.56761  3.69107  0.34175
H   4.16838  3.52117  2.48801
H   5.08087  2.16495  1.80474
C   4.61937  2.79993 -0.91267
H   3.79208  4.47084  0.20633
H   5.52557  4.22434  0.47061
C   3.31365  1.99552 -1.09272
H   4.80333  3.40807 -1.81570
H   5.47151  2.09685 -0.83002
H   2.47682  2.69106 -1.29424
H   3.38368  1.33577 -1.97583
78
Cy-INT(11''-9')
C  -1.22519 -2.05286  1.14916
C  -1.90264 -2.23451 -0.12937
C  -3.03310 -1.35555 -0.15322
C  -3.08334 -0.63896  1.12209
C  -1.96270 -1.07483  1.91840
Rh -1.15005  0.01018  0.07951
P   1.20535  0.09417 -0.50161
C   1.97647  1.72351  0.07760
C  -1.63611 -3.29877 -1.15835
C  -4.11053 -1.38556 -1.20078
C  -4.25701  0.13670  1.65355
C  -1.71832 -0.72614  3.36194
C  -0.16661 -2.94559  1.72970
P  -1.94004  1.95024 -0.98620
C  -3.14399  2.93089  0.05080
B   0.09105  0.01516 -2.00795
C  -0.78234  3.34780 -1.41900
C  -2.89402  1.72579 -2.56975
C   2.33441 -1.39545 -0.13820
H  -2.11273  0.27004  3.61340
H  -0.64631 -0.73872  3.61125
H  -2.22072 -1.45929  4.02014
H  -0.65353 -3.77867  2.27146
H   0.46452 -2.41423  2.45894
H   0.48179 -3.39153  0.96349
H  -0.83040 -3.97903 -0.84533
H  -1.36336 -2.87535 -2.13980
H  -2.54277 -3.91288 -1.30518
H  -4.75165 -2.27472 -1.04977
H  -3.69469 -1.45278 -2.21830
H  -4.77074 -0.50600 -1.14949
H  -4.87963 -0.52822  2.28103
H  -4.90723  0.51552  0.85045
H  -3.94896  0.98478  2.28412
H  -0.10080 -1.06771 -2.49491
H  -0.59801  1.11540  1.04629
H  -1.36111  4.10446 -1.97385
H   0.05464  3.00749 -2.04221
H  -0.40120  3.80837 -0.49435
H  -3.25570  2.70613 -2.92071
H  -3.75541  1.06484 -2.39850
H  -2.24143  1.27585 -3.33085
H  -2.68054  3.17105  1.02018
H  -4.06915  2.36728  0.22671
H  -3.39368  3.86737 -0.47426
H  -0.06440  0.99334 -2.68548
C   3.11121  2.26485 -0.82704
H   1.11778  2.40826 -0.03282
C   3.53629  3.67518 -0.36022
H   3.98826  1.59628 -0.78926
H   2.77940  2.29025 -1.88046
C   3.94221  3.68280  1.12504
H   4.36659  4.03562 -0.99272
H   2.69638  4.38164 -0.51460
C   2.80875  3.14118  2.01595
H   4.84618  3.05696  1.26079
H   4.21974  4.70376  1.44053
C   2.35941  1.73001  1.57659
H   3.12364  3.11502  3.07419
H   1.94198  3.83036  1.96477
H   3.18225  1.01589  1.76715
H   1.49922  1.39638  2.18646
C   3.84200 -1.04195 -0.22163
H   2.11324 -1.71343  0.89764
C   4.70808 -2.28095  0.10210
H   4.07869 -0.68867 -1.24352
H   4.10243 -0.22751  0.47270
C   4.38892 -3.46362 -0.82742
H   5.77453 -2.00386  0.02767
H   4.53467 -2.57830  1.15517
C   2.88732 -3.79735 -0.79425
H   4.68096 -3.20436 -1.86377
H   4.98718 -4.34714 -0.54413
C   2.02920 -2.55461 -1.11399
H   2.65111 -4.60073 -1.51454
H   2.62061 -4.18628  0.20931
H   2.24639 -2.21480 -2.14392
H   0.95884 -2.81042 -1.10036
78
Cy-TS(11''-6)2
C  -2.45861  1.38116  1.53221
C  -2.68562 -0.03029  1.87655
C  -3.30670 -0.65776  0.75640
C  -3.48306  0.34960 -0.29773
C  -2.94667  1.59827  0.19541
Rh -1.25307  0.10393 -0.09963
P   1.07942  0.20736  0.51838
C   2.23307 -1.31191  0.69774
C  -2.57828 -0.64267  3.24643
C  -3.90026 -2.04028  0.77013
C  -4.40663  0.24616 -1.48163
C  -3.08184  2.93784 -0.47810
C  -2.20270  2.50250  2.50325
P  -0.89029 -1.54391 -1.69568
C   0.30292 -1.10934 -3.05604
B   0.34793  0.56388  2.20551
C  -0.34018 -3.22838 -1.11455
C  -2.34589 -2.03353 -2.75377
C   1.96446  1.75234 -0.13992
H  -3.09775  2.84328 -1.57437
H  -2.25739  3.61535 -0.20853
H  -4.02640  3.42470 -0.17055
H  -3.16893  2.98862  2.73877
H  -1.54238  3.27834  2.08497
H  -1.76336  2.15392  3.44758
H  -1.93122 -0.05803  3.91499
H  -2.18088 -1.66966  3.20978
H  -3.58201 -0.69492  3.70906
H  -4.91261 -2.01193  1.21562
H  -3.30024 -2.73915  1.37411
H  -4.00975 -2.46443 -0.23941
H  -5.37403  0.71867 -1.22785
H  -4.62216 -0.79442 -1.76128
H  -4.01432  0.77166 -2.36693
H   0.20877  1.70327  2.53813
H  -0.71239  1.02071 -1.24755
H  -0.31021 -3.93171 -1.96335
H  -1.05376 -3.59526 -0.36061
H   0.65641 -3.17001 -0.65804
H  -2.00000 -2.75884 -3.50866
H  -2.75873 -1.15272 -3.26554
H  -3.13208 -2.50639 -2.14803
H   1.25766 -0.75196 -2.65031
H  -0.14305 -0.29996 -3.65540
H   0.47685 -1.98658 -3.70025
H   0.13070 -0.35451  2.94416
C   3.10135 -1.21690  1.98248
H   1.50565 -2.13212  0.85811
C   3.89115 -2.52475  2.20800
H   3.81286 -0.37600  1.89067
H   2.46335 -1.00394  2.85720
C   4.76513 -2.87711  0.99209
H   4.50978 -2.42409  3.11722
H   3.17894 -3.35093  2.40355
C   3.91833 -2.95194 -0.28995
H   5.55079 -2.10616  0.86772
H   5.29000 -3.83387  1.15904
C   3.11551 -1.65157 -0.52422
H   4.55588 -3.15239 -1.16924
H   3.21334 -3.80431 -0.21343
H   3.82394 -0.82093 -0.70595
H   2.51130 -1.75552 -1.44118
C   2.17835  1.80854 -1.66751
H   1.21302  2.52425  0.12603
C   2.75741  3.17693 -2.09159
H   2.87957  1.00923 -1.97717
H   1.22145  1.62556 -2.18880
C   4.05699  3.50516 -1.33454
H   2.92938  3.18329 -3.18256
H   2.00491  3.96428 -1.88755
C   3.84255  3.43795  0.18780
H   4.84511  2.78342 -1.62723
H   4.42594  4.50429 -1.62524
C   3.27360  2.06892  0.62178
H   4.78887  3.62845  0.72428
H   3.13986  4.23624  0.49767
H   4.02470  1.28516  0.40510
H   3.09992  2.05649  1.71247
78
Cy-INT(11''-6)2
C  -2.39961 -0.54603 -2.02854
C  -2.60135  0.84111 -1.58671
C  -3.28787  0.80663 -0.34005
C  -3.47886 -0.59919  0.05113
C  -2.91262 -1.41917 -0.98832
Rh -1.24027 -0.29672  0.06861
P   1.08672 -0.16403 -0.48680
C   1.99857  1.51172 -0.47749
C  -2.34968  2.05743 -2.43177
C  -3.91385  1.99626  0.33309
C  -4.40410 -1.10987  1.12332
C  -3.04133 -2.91365 -1.10545
C  -2.29802 -0.97426 -3.47192
P  -0.93422  0.61772  2.18331
C   0.45606  0.00579  3.25514
B   0.23655 -0.51013 -2.12500
C  -0.70153  2.46707  2.21428
C  -2.33001  0.38319  3.39773
C   2.18678 -1.67807 -0.12982
H  -3.12167 -3.39399 -0.11855
H  -2.17844 -3.35360 -1.62899
H  -3.94971 -3.17555 -1.67994
H  -3.32808 -1.01724 -3.87767
H  -1.85784 -1.97507 -3.58440
H  -1.72196 -0.27086 -4.08773
H  -1.42012  1.96111 -3.01458
H  -2.28011  2.97423 -1.82572
H  -3.17564  2.20256 -3.15354
H  -4.93925  2.14266 -0.05473
H  -3.35760  2.92479  0.13028
H  -4.00344  1.87583  1.42318
H  -5.38129 -1.36981  0.67523
H  -4.59883 -0.36278  1.90563
H  -4.01437 -2.02004  1.60564
H   0.20311 -1.65367 -2.48737
H  -0.73733 -1.62104  0.73929
H  -0.62866  2.82840  3.25348
H  -1.55761  2.94977  1.71995
H   0.21520  2.73415  1.66847
H  -2.02787  0.79891  4.37313
H  -2.54281 -0.69032  3.50975
H  -3.24101  0.89782  3.06405
H   1.42641  0.11282  2.75419
H   0.28941 -1.05761  3.48426
H   0.46333  0.58180  4.19502
H   0.02044  0.40774 -2.86433
C   2.77888  1.76745 -1.79362
H   1.14658  2.22175 -0.44785
C   3.35955  3.19817 -1.81538
H   3.60646  1.03963 -1.88113
H   2.11981  1.60751 -2.66342
C   4.25134  3.46890 -0.59090
H   3.92724  3.34690 -2.75091
H   2.52684  3.92929 -1.83503
C   3.48925  3.19769  0.71812
H   5.14552  2.81649 -0.63542
H   4.62250  4.50849 -0.60722
C   2.89933  1.76958  0.75145
H   4.14848  3.34437  1.59199
H   2.66481  3.93199  0.81984
H   3.72866  1.03641  0.76081
H   2.33920  1.62383  1.69189
C   2.51103 -2.02640  1.33570
H   1.52506 -2.47341 -0.52836
C   3.30183 -3.35235  1.42371
H   3.11227 -1.21722  1.79475
H   1.57734 -2.11605  1.91516
C   4.57917 -3.31674  0.56755
H   3.54485 -3.56482  2.47999
H   2.65200 -4.18078  1.07849
C   4.24946 -2.96746 -0.89386
H   5.27722 -2.56072  0.97836
H   5.10241 -4.28734  0.62148
C   3.46926 -1.63816 -0.99699
H   5.17127 -2.89696 -1.49794
H   3.64220 -3.77900 -1.34042
H   4.12183 -0.81351 -0.65078
H   3.21507 -1.42833 -2.05100
78
Cy-6
C  -3.09070  1.92092 -1.21443
C  -2.15889  1.48757 -0.05398
C  -2.94027  1.36681  1.27368
C  -3.64970  2.69720  1.61071
C  -4.57384  3.14818  0.46478
C  -3.80623  3.24491 -0.86657
P  -1.07991 -0.01306 -0.50666
C  -2.02940 -1.63359 -0.28611
C  -2.33320 -2.07697  1.16245
C  -2.96909 -3.48513  1.18492
C  -4.23494 -3.54557  0.31060
C  -3.94110 -3.08218 -1.12773
C  -3.31204 -1.67113 -1.15586
Rh  1.32353 -0.01801 -0.27609
P   1.49034  2.31660 -0.04928
C   3.21586  3.01227 -0.15770
C   2.99806 -0.54164  1.16698
C   3.49962 -0.69525 -0.19608
C   2.71727 -1.73387 -0.82451
C   1.75104 -2.23023  0.13405
C   1.92353 -1.48488  1.37176
C   3.65330  0.23269  2.27560
C   4.75071 -0.08783 -0.76915
C   2.93428 -2.28961 -2.20253
C   0.94430 -3.48283 -0.04962
C   1.30991 -1.79890  2.70777
B  -0.20217  0.05562 -2.21674
C   0.90395  3.04213  1.56454
C   0.68478  3.36685 -1.36098
H   4.35671 -0.43137  2.81240
H   2.92371  0.59333  3.01688
H   4.24076  1.08854  1.91278
H   5.04437  0.83422 -0.24739
H   4.64346  0.14517 -1.84047
H   5.59206 -0.79893 -0.67141
H   3.56714 -3.19473 -2.14751
H   3.44097 -1.56692 -2.85959
H   1.98451 -2.57475 -2.68113
H   0.56224 -3.58120 -1.07795
H   0.09602 -3.54229  0.64752
H   1.58763 -4.36260  0.14143
H   0.39070 -2.39383  2.61009
H   1.06635 -0.88781  3.27573
H   2.02012 -2.38917  3.31730
H   1.13228  0.31577 -1.93711
H  -0.18931 -1.00758 -2.79214
H  -0.35894  1.06561 -2.86182
H  -1.31356 -2.35068 -0.73069
H  -1.41442 -2.05411  1.77365
H  -3.03324 -1.36438  1.63340
H  -3.20180 -3.76935  2.22664
H  -2.23529 -4.22849  0.81346
H  -5.01484 -2.89475  0.75290
H  -4.64816 -4.56933  0.30693
H  -4.86518 -3.08223 -1.73252
H  -3.24867 -3.79737 -1.61392
H  -3.08361 -1.37353 -2.19397
H  -4.04802 -0.94532 -0.76153
H  -1.41240  2.29211  0.08347
H  -3.70594  0.57429  1.18001
H  -2.26933  1.06613  2.09938
H  -4.22031  2.58375  2.54942
H  -2.88879  3.48090  1.80073
H  -5.40074  2.41911  0.35657
H  -5.04194  4.11773  0.70908
H  -3.05593  4.05842 -0.79927
H  -4.48900  3.51978 -1.68987
H  -2.51552  2.02366 -2.15117
H  -3.84587  1.13483 -1.39653
H   1.02449  4.13793  1.56297
H   1.50259  2.61325  2.38311
H  -0.15160  2.78700  1.73673
H  -0.39233  3.17476 -1.44726
H   1.15279  3.12951 -2.32878
H   0.85059  4.43015 -1.12277
H   3.66479  2.73464 -1.12287
H   3.84253  2.62868  0.65894
H   3.17010  4.11124 -0.08265
78
Cy-TS(11''-6)3
C  -3.94281  0.05313  0.30202
C  -3.23227  0.83202 -0.71219
C  -2.36287  1.78496 -0.03351
C  -2.43115  1.48805  1.38051
C  -3.42295  0.42574  1.57239
Rh -1.54567 -0.26958  0.27110
B   0.23137 -0.05507  1.39315
P   1.62005 -0.10344  0.02577
C   3.35392 -0.82879  0.48915
C  -3.58381  0.88104 -2.17451
C  -1.69925  2.97014 -0.67437
C  -1.83183  2.30271  2.49206
C  -3.86363 -0.10821  2.90440
C  -5.10111 -0.87509  0.06516
P  -1.32347 -2.10666 -1.19279
C  -0.86304 -1.75626 -2.96261
C  -0.05001 -3.35216 -0.66241
C  -2.83267 -3.18461 -1.38762
C   1.94085  1.71401 -0.42370
H  -3.03516 -0.13012  3.62958
H  -4.27575 -1.12585  2.82166
H  -4.65526  0.53497  3.33290
H  -6.05103 -0.36286  0.30654
H  -5.05274 -1.77782  0.69566
H  -5.17057 -1.19339 -0.98567
H  -3.88357 -0.10479 -2.56472
H  -2.74763  1.25312 -2.78645
H  -4.43849  1.56474 -2.33566
H  -2.43622  3.78420 -0.81407
H  -1.28715  2.72669 -1.66640
H  -0.88442  3.36838 -0.05139
H  -2.56042  3.05862  2.83936
H  -0.92439  2.83479  2.16762
H  -1.56246  1.67918  3.35866
H   0.34118  0.40856  2.49966
H   0.17710 -0.35460 -0.73832
H   0.03537 -4.15535 -1.41190
H  -0.34577 -3.78085  0.30753
H   0.92610 -2.85319 -0.55266
H  -2.58278 -4.06195 -2.00678
H  -3.64274 -2.62404 -1.87678
H  -3.17832 -3.52244 -0.39910
H   0.12733 -1.27693 -2.98935
H  -1.60157 -1.06893 -3.40200
H  -0.83784 -2.68910 -3.54873
H  -0.59506 -1.13899  1.42374
C   3.99658 -1.59518 -0.68631
H   3.97269  0.06072  0.72408
C   5.37974 -2.15351 -0.28530
H   3.33614 -2.43703 -0.97801
H   4.08776 -0.94687 -1.57596
C   5.28900 -3.03709  0.97264
H   5.80979 -2.72107 -1.12967
H   6.06887 -1.30774 -0.09290
C   4.63042 -2.28119  2.14147
H   4.69427 -3.94286  0.74032
H   6.29340 -3.39032  1.26480
C   3.24832 -1.71377  1.74812
H   4.52183 -2.94129  3.02049
H   5.28651 -1.44631  2.45679
H   2.55533 -2.55598  1.54614
H   2.81641 -1.14229  2.58939
C   2.85169  1.82538 -1.66996
H   0.93459  2.08543 -0.69627
C   3.03032  3.29934 -2.09313
H   3.84708  1.39904 -1.43784
H   2.43792  1.23161 -2.50568
C   3.57234  4.15552 -0.93395
H   3.70441  3.35446 -2.96628
H   2.05334  3.70347 -2.42519
C   2.67359  4.04091  0.31064
H   4.59583  3.81752 -0.67787
H   3.66117  5.21090 -1.24596
C   2.48052  2.57033  0.74464
H   3.09498  4.62173  1.15022
H   1.68347  4.48711  0.08788
H   3.45558  2.16826  1.08291
H   1.80133  2.51304  1.61401
78
Cy-INT(11''-6)
C  -3.84997 -1.00307 -0.32379
C  -3.81811 -0.13758  0.85636
C  -2.92688 -0.73152  1.82053
C  -2.41010 -1.97372  1.25358
C  -3.00043 -2.14662 -0.05226
Rh -1.75088 -0.23208 -0.04741
B   0.38081 -0.79194 -0.10190
P   2.06663 -0.11416 -0.70219
C   3.38285 -1.37113 -0.12670
C  -4.72433  1.03107  1.12757
C  -2.67857 -0.23753  3.21617
C  -1.54961 -2.97075  1.97313
C  -2.81179 -3.33350 -0.95093
C  -4.78846 -0.88431 -1.49143
P  -1.70748  1.81274 -1.18792
C  -1.40246  3.31308 -0.12759
C  -0.44602  1.94848 -2.54578
C  -3.24943  2.30622 -2.10986
C   2.39885  1.58356  0.11639
H  -1.80648 -3.76968 -0.84649
H  -2.96733 -3.07530 -2.00948
H  -3.54280 -4.12150 -0.69035
H  -5.68843 -1.50327 -1.31758
H  -4.32513 -1.23511 -2.42713
H  -5.13011  0.14941 -1.64557
H  -5.11093  1.48609  0.20336
H  -4.22804  1.81485  1.72116
H  -5.60219  0.69021  1.70738
H  -3.40938 -0.69403  3.91043
H  -2.79052  0.85479  3.29246
H  -1.67332 -0.50627  3.57453
H  -2.18365 -3.66627  2.55325
H  -0.85832 -2.48252  2.67725
H  -0.94983 -3.57185  1.27323
H   0.44913 -1.93770  0.26641
H  -0.20136  0.16356  0.67547
H  -0.44167  2.97106 -2.95704
H  -0.71033  1.23420 -3.34137
H   0.55834  1.68995 -2.17781
H  -3.07342  3.26799 -2.61926
H  -4.09390  2.42316 -1.41552
H  -3.49809  1.54201 -2.86154
H  -0.44060  3.20968  0.39644
H  -2.20324  3.39702  0.62331
H  -1.38736  4.22499 -0.74718
H  -0.56533 -0.74854 -1.16161
C   4.82143 -0.88994 -0.42449
H   3.26484 -1.49920  0.96752
C   5.86156 -1.94791  0.00554
H   4.92095 -0.69417 -1.51054
H   5.03233  0.06323  0.09048
C   5.59889 -3.31021 -0.65985
H   6.87646 -1.58582 -0.23767
H   5.82630 -2.06368  1.10697
C   4.16031 -3.78717 -0.38997
H   5.75387 -3.21958 -1.75300
H   6.32667 -4.05928 -0.30091
C   3.12379 -2.72840 -0.82291
H   3.96004 -4.73706 -0.91749
H   4.03762 -3.99610  0.69132
H   3.18388 -2.58394 -1.92013
H   2.10300 -3.08925 -0.60632
C   3.38122  2.46084 -0.69422
H   1.40068  2.06681  0.07380
C   3.54651  3.85491 -0.05226
H   4.36779  1.96403 -0.74270
H   3.03401  2.55470 -1.73908
C   3.97195  3.75200  1.42382
H   4.28067  4.44531 -0.62867
H   2.58501  4.40363 -0.11774
C   2.98058  2.89160  2.22798
H   4.98097  3.29883  1.48262
H   4.05534  4.75824  1.87105
C   2.80527  1.48767  1.60580
H   3.31285  2.79113  3.27697
H   1.99632  3.40157  2.25987
H   3.75944  0.93534  1.69501
H   2.05115  0.90672  2.16762
78
Cy-TS(11''-6)4
C  -3.84697 -0.47552  0.47314
C  -3.68699  0.54554 -0.57044
C  -3.03484  1.67669  0.02737
C  -2.80085  1.38361  1.44076
C  -3.30829  0.06608  1.71489
Rh -1.68531 -0.16442  0.17639
B   0.34514 -0.03574  1.48035
P   1.73112  0.00891  0.17475
C   3.36969 -0.88035  0.55246
C  -4.30261  0.52343 -1.94212
C  -2.72276  2.97634 -0.65174
C  -2.25656  2.34639  2.45488
C  -3.34165 -0.60413  3.05685
C  -4.66960 -1.72534  0.37232
P  -1.06749 -1.71762 -1.47170
C  -0.24722 -1.03147 -2.99734
C   0.06908 -3.08380 -0.92170
C  -2.44391 -2.73001 -2.22122
C   2.12168  1.80165 -0.30849
H  -2.45412 -0.35019  3.65770
H  -3.38952 -1.69982  2.96472
H  -4.23238 -0.27650  3.62468
H  -5.69142 -1.52441  0.74698
H  -4.25416 -2.54231  0.98345
H  -4.76731 -2.07821 -0.66420
H  -4.51369 -0.49946 -2.28656
H  -3.66284  1.01523 -2.69191
H  -5.26732  1.06372 -1.92873
H  -3.55248  3.69249 -0.49629
H  -2.59516  2.85092 -1.73791
H  -1.81156  3.44303 -0.24638
H  -3.08303  2.93891  2.88928
H  -1.54102  3.05450  2.00897
H  -1.74776  1.82564  3.28009
H   0.48823 -0.44905  2.60776
H  -0.13014  1.08655  1.33924
H   0.32249 -3.73246 -1.77581
H  -0.43828 -3.67810 -0.14603
H   0.99003 -2.65571 -0.50136
H  -2.01745 -3.43954 -2.94921
H  -3.16343 -2.08162 -2.74207
H  -2.96375 -3.29601 -1.43422
H   0.70217 -0.56480 -2.69591
H  -0.89537 -0.26516 -3.45088
H  -0.06261 -1.83523 -3.72982
H  -0.60790 -1.02631  1.15292
C   3.95577 -1.62380 -0.67328
H   4.06363 -0.05628  0.81939
C   5.31122 -2.27686 -0.33021
H   3.24510 -2.41157 -0.99341
H   4.06548 -0.93539 -1.52990
C   5.19116 -3.21874  0.88196
H   5.69517 -2.82180 -1.21098
H   6.05038 -1.48231 -0.10704
C   4.59769 -2.48602  2.09904
H   4.54002 -4.07528  0.61619
H   6.17795 -3.64404  1.13600
C   3.24170 -1.82305  1.76862
H   4.46936 -3.18097  2.94806
H   5.30624 -1.70519  2.43862
H   2.49638 -2.61342  1.54596
H   2.85990 -1.27191  2.64472
C   2.97840  1.91265 -1.58961
H   1.11589  2.21862 -0.51832
C   3.20950  3.38819 -1.98219
H   3.96097  1.43196 -1.41556
H   2.50101  1.36418 -2.42218
C   3.83731  4.18884 -0.82677
H   3.84837  3.43695 -2.88181
H   2.23909  3.84519 -2.26141
C   2.98639  4.07788  0.45081
H   4.85506  3.80123 -0.62364
H   3.95849  5.24767 -1.11576
C   2.75110  2.60527  0.85708
H   3.46602  4.61648  1.28766
H   2.00662  4.56815  0.28279
H   3.72179  2.15117  1.13648
H   2.10474  2.54799  1.75021
78
Cy-TS(11''-9')2
C   1.45072  1.85345  1.39686
C   2.34378  1.96928  0.28825
C   3.31815  0.88691  0.38362
C   3.01789  0.08433  1.53093
C   1.81295  0.64267  2.14904
Rh  1.13777 -0.10057  0.25626
P  -1.09347 -0.06109 -0.25866
C  -2.14502 -1.47504  0.43278
C   2.43351  3.09975 -0.69961
C   4.54708  0.81100 -0.47668
C   3.87249 -1.00065  2.12850
C   1.27435  0.26361  3.50041
C   0.44905  2.87247  1.85724
P   1.39049 -1.92777 -1.88205
C   3.17234 -2.20343 -1.38738
B  -0.18690 -0.52097 -1.91981
C   0.65177 -3.57729 -1.45285
C   1.61234 -1.98847 -3.73847
C  -2.04179  1.58436 -0.32483
H   1.38950 -0.81349  3.69467
H   0.20686  0.51354  3.59928
H   1.81976  0.80865  4.29424
H   0.94108  3.58108  2.54997
H  -0.38579  2.41191  2.40801
H   0.03559  3.46260  1.02560
H   1.54199  3.74392 -0.67077
H   2.55622  2.73832 -1.73409
H   3.30607  3.74109 -0.47359
H   5.23103  1.63797 -0.20706
H   4.31807  0.93366 -1.54885
H   5.10434 -0.12672 -0.33620
H   4.54295 -0.57548  2.89847
H   4.51304 -1.48842  1.37711
H   3.26535 -1.77965  2.61512
H   0.10040  0.37206 -2.67121
H   0.78845 -1.53906  0.80408
H   1.27208 -4.37268 -1.89560
H  -0.37234 -3.65059 -1.84587
H   0.63692 -3.69597 -0.35928
H   2.23691 -2.85378 -4.01196
H   2.10918 -1.06366 -4.07111
H   0.63234 -2.05825 -4.23111
H   3.23676 -2.34932 -0.30174
H   3.78101 -1.34032 -1.68613
H   3.53783 -3.10109 -1.91501
H  -0.78146 -1.45286 -2.42056
C  -3.27805 -1.99014 -0.48591
H  -1.37801 -2.27231  0.50132
C  -3.93568 -3.24492  0.13110
H  -4.04924 -1.21165 -0.61780
H  -2.88356 -2.21687 -1.49280
C  -4.45265 -2.96860  1.55532
H  -4.75818 -3.58760 -0.52132
H  -3.19545 -4.06919  0.16284
C  -3.32779 -2.44312  2.46613
H  -5.26778 -2.21970  1.50927
H  -4.89463 -3.88410  1.98595
C  -2.64472 -1.19258  1.86930
H  -3.71950 -2.20642  3.47126
H  -2.56685 -3.23672  2.60446
H  -3.36910 -0.35538  1.85826
H  -1.79960 -0.87834  2.50894
C  -3.55751  1.45312 -0.61221
H  -1.92421  2.01019  0.69162
C  -4.23545  2.84237 -0.57945
H  -3.70545  0.99322 -1.60807
H  -4.04466  0.79481  0.12573
C  -3.57638  3.83136 -1.55634
H  -5.30955  2.72689 -0.80861
H  -4.17740  3.24694  0.45040
C  -2.06246  3.93749 -1.29777
H  -3.74392  3.48742 -2.59575
H  -4.05168  4.82439 -1.47403
C  -1.39148  2.54845 -1.34305
H  -1.58714  4.60129 -2.04184
H  -1.89136  4.40217 -0.30574
H  -1.50663  2.12364 -2.35747
H  -0.30547  2.62907 -1.16474
78
Cy-9'
C   2.24496  0.81726  1.87734
C   2.36402  1.73916  0.72061
C   3.09430  1.06387 -0.28467
C   3.51457 -0.25069  0.25329
C   3.06403 -0.37036  1.59996
Rh  1.23945 -0.22551  0.32798
P  -0.96104  0.03067 -0.37248
C  -2.30547 -0.53156  0.85196
C   1.91191  3.16915  0.71838
C   3.49045  1.58739 -1.63437
C   4.37947 -1.22112 -0.49455
C   3.40247 -1.45618  2.58292
C   1.67213  1.18359  3.21208
B  -1.02999 -1.25673 -1.91282
P  -0.57280 -3.13781 -1.66414
C   1.24151 -3.46881 -1.53591
C  -1.32960 -4.06303 -0.25068
C  -1.11863 -4.05313 -3.17694
C  -1.57755  1.63802 -1.18583
H   3.62608 -2.40944  2.07952
H   2.57934 -1.63556  3.29122
H   4.29467 -1.17277  3.17119
H   2.42123  1.75261  3.79674
H   1.40241  0.29079  3.79628
H   0.77713  1.81708  3.11355
H   1.01802  3.31624  1.34300
H   1.68782  3.53535 -0.29501
H   2.71110  3.81142  1.13501
H   4.55851  1.87545 -1.63826
H   2.90520  2.47539 -1.91632
H   3.35727  0.82852 -2.42306
H   5.43364 -0.88568 -0.46744
H   4.09319 -1.28864 -1.55686
H   4.34386 -2.23005 -0.05655
H  -0.28213 -0.91524 -2.80758
H   0.53192 -1.44171  1.06503
H  -1.08639 -5.13461 -0.32815
H  -2.42305 -3.93753 -0.27044
H  -0.93491 -3.66802  0.69822
H  -0.81057 -5.10911 -3.12517
H  -0.67087 -3.57908 -4.06377
H  -2.21431 -3.99072 -3.26086
H   1.62688 -2.93933 -0.64713
H   1.73732 -3.07386 -2.43626
H   1.44098 -4.54850 -1.44819
H  -2.19223 -1.26335 -2.27995
C  -0.60151  2.10279 -2.28996
H  -2.52827  1.33388 -1.66947
C  -1.11751  3.36822 -3.00752
H   0.38351  2.31439 -1.82773
H  -0.43725  1.29586 -3.02396
C  -1.41138  4.50711 -2.01612
H  -0.38165  3.69039 -3.76605
H  -2.04415  3.11632 -3.55941
C  -2.38697  4.04336 -0.92027
H  -0.46433  4.84230 -1.54673
H  -1.82136  5.38402 -2.54734
C  -1.87450  2.78160 -0.18989
H  -2.56115  4.84937 -0.18514
H  -3.37086  3.82058 -1.37792
H  -0.95002  3.02922  0.36532
H  -2.61764  2.46262  0.56077
C  -3.74878 -0.36898  0.32391
H  -2.09075 -1.61564  0.93705
C  -4.76149 -0.99864  1.30607
H  -3.98605  0.70625  0.21365
H  -3.85256 -0.82189 -0.67814
C  -4.61756 -0.40727  2.72028
H  -5.78782 -0.85117  0.92570
H  -4.59687 -2.09401  1.34800
C  -3.17538 -0.55217  3.24161
H  -4.89181  0.66586  2.69582
H  -5.32597 -0.89450  3.41318
C  -2.15090  0.06911  2.26765
H  -3.07414 -0.08440  4.23730
H  -2.94126 -1.62744  3.37539
H  -2.30425  1.16422  2.23020
H  -1.12076 -0.09918  2.62885
78
Cy-TS(9'-9)
C  -2.98285  1.27591  0.19770
C  -2.99738  0.12661  1.12772
C  -3.32734 -1.02219  0.37074
C  -3.61797 -0.60749 -1.02151
C  -3.48574  0.81052 -1.10737
Rh -1.48400  0.02400 -0.63207
P   0.75855  0.15533 -0.06605
C   1.81930  1.50260 -0.87797
C  -2.82979  0.22243  2.61646
C  -3.45418 -2.43273  0.86805
C  -4.09001 -1.53572 -2.10296
C  -3.84783  1.68882 -2.27231
C  -2.81778  2.70871  0.60804
B   0.82664 -1.51590 -1.14501
P   2.42208 -2.62603 -1.31708
C   3.68421 -1.92465 -2.47424
C   3.35741 -3.07723  0.21523
C   1.93788 -4.24088 -2.07904
C   1.38857 -0.07992  1.70890
H  -3.74712  1.15756 -3.23088
H  -3.21380  2.58727 -2.31768
H  -4.89771  2.02335 -2.18034
H  -3.76914  3.09873  1.01893
H  -2.53663  3.34408 -0.24515
H  -2.04702  2.81812  1.38674
H  -2.07863  0.97541  2.90074
H  -2.53694 -0.73994  3.06384
H  -3.78632  0.52424  3.08393
H  -4.51925 -2.70182  0.99731
H  -2.95467 -2.57255  1.83875
H  -3.02428 -3.15448  0.15399
H  -5.16113 -1.77662 -1.96546
H  -3.53742 -2.48918 -2.09055
H  -3.97455 -1.08867 -3.10190
H   0.62805 -1.22337 -2.31033
H  -0.88498  0.82173 -1.85391
H   4.21886 -3.71454 -0.03944
H   2.69363 -3.62078  0.90453
H   3.71281 -2.16083  0.71036
H   2.82465 -4.86556 -2.26940
H   1.41465 -4.04424 -3.02734
H   1.25195 -4.76940 -1.39962
H   4.08193 -0.98060 -2.07255
H   3.20079 -1.72181 -3.44220
H   4.51138 -2.63750 -2.61773
H  -0.03085 -2.28334 -0.72473
C   0.74688 -1.31857  2.37164
H   2.47973 -0.25977  1.61210
C   1.28539 -1.53504  3.80222
H  -0.35018 -1.17682  2.40392
H   0.91916 -2.22052  1.75749
C   1.10306 -0.28046  4.67637
H   0.78272 -2.40495  4.26204
H   2.36300 -1.78880  3.75091
C   1.73757  0.95552  4.01400
H   0.02153 -0.09708  4.83226
H   1.53837 -0.44576  5.67749
C   1.19298  1.17893  2.58695
H   1.56037  1.85827  4.62511
H   2.83650  0.82283  3.96504
H   0.11350  1.42165  2.63807
H   1.68687  2.05401  2.12996
C   3.30411  1.49126 -0.44913
H   1.75808  1.21532 -1.94754
C   4.12463  2.50148 -1.28146
H   3.38351  1.76526  0.62038
H   3.73796  0.47706 -0.54101
C   3.53590  3.92064 -1.17565
H   5.17742  2.49265 -0.94693
H   4.12692  2.18240 -2.34270
C   2.04713  3.93949 -1.56973
H   3.64355  4.28151 -0.13369
H   4.11022  4.61916 -1.80908
C   1.22536  2.92500 -0.74628
H   1.62637  4.95250 -1.44017
H   1.94847  3.69420 -2.64591
H   1.22565  3.23418  0.31708
H   0.17227  2.91926 -1.07764
78
Cy-9
C   2.48685  0.54804  1.89281
C   2.44364  1.63070  0.90564
C   3.12633  1.19118 -0.27337
C   3.63668 -0.15805 -0.01919
C   3.28548 -0.53562  1.32236
Rh  1.36827 -0.26877  0.20814
P  -0.88229  0.15980 -0.07956
C  -1.45234  1.92678 -0.48315
C   1.89643  3.00597  1.16720
C   3.41881  2.00138 -1.50636
C   4.51116 -0.94055 -0.95922
C   3.74748 -1.76763  2.05138
C   2.05607  0.65707  3.32977
B  -0.15606 -0.82667 -1.59760
P  -0.67897 -2.65627 -2.04628
C   0.61860 -3.42643 -3.11631
C  -0.89290 -3.82629 -0.63283
C  -2.23049 -2.72442 -3.04861
C  -2.07470 -0.67340  1.13889
H   1.83570 -0.33074  3.76250
H   1.15552  1.28153  3.43802
H   2.85545  1.11846  3.94004
H   2.66914  3.62993  1.65431
H   1.02673  2.98209  1.84279
H   1.59943  3.51967  0.24016
H   2.72050  2.84502 -1.61992
H   3.36236  1.39136 -2.42239
H   4.43929  2.42540 -1.45799
H   5.56724 -0.63274 -0.84442
H   4.23504 -0.77171 -2.01209
H   4.46013 -2.02196 -0.75820
H   4.71115 -1.57168  2.55708
H   3.89897 -2.61509  1.36497
H   3.02506 -2.08074  2.82030
H   1.12750 -1.07998 -1.32595
H   0.78032 -1.55524  0.91751
H  -2.46606 -3.76490 -3.32111
H  -2.08851 -2.12758 -3.96278
H  -3.06418 -2.29608 -2.47241
H   0.30752 -4.43281 -3.43731
H   1.55841 -3.49596 -2.54730
H   0.78185 -2.79119 -4.00042
H  -1.79275 -3.55776 -0.05959
H  -0.01202 -3.74070  0.02267
H  -0.98889 -4.85940 -1.00155
H  -0.15742 -0.21986 -2.64394
C  -2.96692  2.09471 -0.74613
H  -1.19494  2.49258  0.43600
C  -3.32044  3.57921 -0.99479
H  -3.25525  1.49058 -1.62862
H  -3.55700  1.72202  0.10738
C  -2.48687  4.19291 -2.13313
H  -4.39979  3.66554 -1.21271
H  -3.14432  4.15026 -0.06183
C  -0.98046  4.00505 -1.87725
H  -2.75588  3.70455 -3.09045
H  -2.72844  5.26398 -2.24878
C  -0.63624  2.51731 -1.65526
H  -0.39122  4.39838 -2.72483
H  -0.68169  4.59158 -0.98557
H  -0.87077  1.95363 -2.57786
H   0.44514  2.38428 -1.47700
C  -3.44733 -1.13093  0.59302
H  -1.49230 -1.57540  1.41211
C  -4.23358 -1.89880  1.67981
H  -4.04287 -0.26073  0.26622
H  -3.31605 -1.76850 -0.30086
C  -4.40215 -1.05415  2.95649
H  -5.21794 -2.20147  1.28061
H  -3.69376 -2.83431  1.93046
C  -3.03958 -0.58196  3.49551
H  -5.03393 -0.17259  2.73050
H  -4.93916 -1.63318  3.72792
C  -2.23410  0.18007  2.42077
H  -3.17532  0.06229  4.38215
H  -2.45229 -1.45927  3.83144
H  -2.75988  1.12372  2.17751
H  -1.23937  0.45678  2.81410
57
Me-10
C  -2.38129 -0.90854 -0.32157
C  -2.13757 -0.63393  1.10392
C  -1.03344 -1.42741  1.53034
C  -0.60480 -2.24471  0.38595
C  -1.46838 -1.97142 -0.72449
Rh -0.36861 -0.04982 -0.24487
P  -0.56530  2.25734 -0.06692
C  -0.59354  2.92170  1.67230
C  -3.02045  0.21052  1.97867
C  -0.48609 -1.54209  2.92442
C   0.44854 -3.31259  0.45543
C  -1.50425 -2.69783 -2.03772
C  -3.56957 -0.44988 -1.11891
C  -0.04502  0.28681 -2.31867
B   2.03782  0.15872  0.71424
P   3.80808  0.16535 -0.13490
C   4.19488 -1.27799 -1.22466
C   5.17535  0.28220  1.10405
C   0.78012  3.28703 -0.84107
C  -2.09378  3.00432 -0.82298
H  -0.54536 -3.19083 -2.26216
H  -1.74381 -2.02429 -2.87601
H  -2.28162 -3.48341 -2.01418
H  -4.38836 -1.19037 -1.04949
H  -3.32326 -0.33370 -2.18655
H  -3.96609  0.50987 -0.75420
H  -3.41272  1.09526  1.45177
H  -2.50079  0.54760  2.88883
H  -3.89678 -0.38108  2.30321
H  -0.89699 -2.43495  3.43145
H  -0.74324 -0.66467  3.53797
H   0.61140 -1.63870  2.92304
H   0.04082 -4.21276  0.95196
H   1.32092 -2.98278  1.04144
H   0.79394 -3.61555 -0.54489
H   2.05995 -0.83190  1.40889
H   4.04249  1.28890 -0.99099
H   0.61515  4.35176 -0.60965
H   0.77907  3.15126 -1.93245
H   1.75380  2.97444 -0.43561
H  -2.08538  4.10056 -0.70770
H  -2.99088  2.60000 -0.33015
H  -2.13432  2.75010 -1.89305
H   0.34281  2.63793  2.17563
H  -1.43808  2.48528  2.22418
H  -0.69288  4.01956  1.66322
H  -0.97775  0.63330 -2.79594
H   0.75095  1.01791 -2.53384
H   0.24560 -0.67704 -2.76779
H   1.36963  0.04381 -0.39048
H   1.98257  1.20749  1.31575
H   6.15482  0.31815  0.60398
H   5.03291  1.18926  1.71054
H   5.12780 -0.59696  1.76508
H   5.20690 -1.19158 -1.64796
H   4.12283 -2.20122 -0.62904
H   3.45639 -1.32010 -2.03964
57
Me-TS(10-11'')
C  -2.33019 -1.09196 -0.43854
C  -2.19053 -0.60068  0.91770
C  -1.06351 -1.27192  1.54495
C  -0.50473 -2.18518  0.57088
C  -1.27946 -2.06295 -0.64817
Rh -0.28413 -0.03571 -0.20662
P  -0.54117  2.26691 -0.10582
C  -0.67394  3.03145  1.58482
C  -3.18948  0.26079  1.63807
C  -0.67677 -1.19366  2.99427
C   0.56102 -3.20779  0.84807
C  -1.09942 -2.89077 -1.88856
C  -3.44405 -0.77816 -1.39944
C   0.48782  0.13542 -2.31925
B   1.73732  0.30446  0.76016
P   3.48813  0.14530 -0.13047
C   3.90513 -1.45495 -0.96762
C   4.85450  0.44516  1.08361
C   0.79445  3.29313 -0.90274
C  -2.05863  2.92249 -0.97189
H  -0.05559 -3.21799 -2.02060
H  -1.40794 -2.34701 -2.79598
H  -1.72071 -3.80331 -1.82943
H  -4.24939 -1.53312 -1.33167
H  -3.09422 -0.77193 -2.44520
H  -3.89990  0.20289 -1.19355
H  -3.67344  0.99170  0.97209
H  -2.74013  0.80105  2.48537
H  -3.99215 -0.37753  2.05204
H  -1.15760 -2.00847  3.56688
H  -0.98544 -0.24102  3.45174
H   0.41244 -1.29029  3.12620
H   0.12180 -4.09064  1.34865
H   1.34192 -2.80765  1.51422
H   1.04196 -3.56549 -0.07609
H   1.84582 -0.59268  1.57353
H   3.77130  1.11087 -1.15390
H   0.56211  4.36405 -0.78729
H   0.85837  3.05688 -1.97581
H   1.75980  3.07802 -0.42186
H  -2.10033  4.02206 -0.90250
H  -2.96589  2.50086 -0.51397
H  -2.03066  2.62711 -2.03245
H   0.22061  2.77055  2.16922
H  -1.56435  2.63863  2.09750
H  -0.75968  4.12743  1.50381
H  -0.44563  0.51443 -2.75893
H   1.29705  0.81651 -2.63311
H   0.69659 -0.87197 -2.70587
H   1.12006  0.11283 -0.99376
H   1.84905  1.41006  1.25938
H   5.83734  0.38919  0.59159
H   4.71850  1.43876  1.53607
H   4.79038 -0.31557  1.87696
H   4.94068 -1.44648 -1.33962
H   3.78248 -2.27181 -0.23977
H   3.21638 -1.62191 -1.80964
57
Me-INT(10-11'')
C  -2.01524 -1.54844 -0.60943
C  -2.31143 -0.79712  0.54929
C  -1.19690 -0.98430  1.51613
C  -0.29492 -1.99404  0.96270
C  -0.73882 -2.25202 -0.37076
Rh -0.24956 -0.01468 -0.14627
P  -0.64936  2.27179 -0.10113
C  -0.81607  3.09129  1.55959
C  -3.58328 -0.05882  0.85054
C  -1.21750 -0.54623  2.95137
C   0.77314 -2.72617  1.72110
C  -0.13617 -3.23402 -1.33411
C  -2.85702 -1.69966 -1.84458
C   0.54639  0.17860 -2.83726
B   1.61494  0.58198  0.86950
P   3.27281  0.20473 -0.10271
C   3.64472 -1.52311 -0.66844
C   4.78924  0.72908  0.83290
C   0.57160  3.36745 -0.98779
C  -2.23426  2.78338 -0.95130
H   0.92603 -3.42764 -1.11927
H  -0.22657 -2.89700 -2.37967
H  -0.66657 -4.20248 -1.26544
H  -3.41063 -2.65702 -1.82846
H  -2.24567 -1.70139 -2.76276
H  -3.59992 -0.89193 -1.93572
H  -4.12238  0.23209 -0.06442
H  -3.40953  0.84464  1.45687
H  -4.26054 -0.70793  1.43695
H  -1.71002 -1.31631  3.57553
H  -1.77696  0.39218  3.08769
H  -0.19819 -0.39792  3.33874
H   0.31604 -3.52413  2.33566
H   1.32566 -2.05725  2.39857
H   1.49735 -3.20991  1.04720
H   1.74221 -0.05978  1.89815
H   3.40601  0.94483 -1.32457
H   0.24397  4.41753 -0.91991
H   0.62111  3.07775 -2.04858
H   1.56603  3.26339 -0.53207
H  -2.36327  3.87697 -0.89393
H  -3.09619  2.29441 -0.47509
H  -2.19807  2.48172 -2.01001
H   0.10318  2.92660  2.14020
H  -1.66721  2.65240  2.10199
H  -0.99116  4.17232  1.43446
H  -0.52930  0.37755 -2.91947
H   1.11588  0.99844 -3.29822
H   0.78994 -0.77770 -3.32158
H   0.91052  0.10148 -1.76573
H   1.79124  1.77120  1.09418
H   5.69928  0.57965  0.23187
H   4.69035  1.79073  1.10417
H   4.85273  0.13470  1.75764
H   4.60667 -1.56230 -1.20152
H   3.68979 -2.18090  0.21310
H   2.84101 -1.87115 -1.33437
57
Me-TS(10-11'')2
C   2.37538 -0.71461 -0.46572
C   1.32287 -0.96784 -1.48857
C   0.43633 -2.01097 -0.96876
C   0.81316 -2.21918  0.39220
C   2.04490 -1.45596  0.68746
Rh  0.24058 -0.00813  0.08002
P   0.52184  2.29512  0.07658
C  -0.81269  3.30205  0.90161
C   1.39458 -0.53749 -2.92336
C  -0.55560 -2.80130 -1.77036
C   0.19900 -3.20085  1.34747
C   2.81781 -1.54643  1.97230
C   3.62720  0.07633 -0.71084
B  -1.60913  0.46888 -0.98328
P  -3.23153  0.09835  0.04483
C  -4.78145  0.55144 -0.87434
C  -3.54157 -1.62202  0.66471
C   2.03096  2.88580  1.00754
C   0.72861  3.13294 -1.57035
C  -0.68463  0.19657  3.05981
H  -0.81864 -3.49223  1.04625
H   0.16207 -2.80662  2.37618
H   0.80951 -4.12290  1.38196
H   3.41258 -2.47839  2.00866
H   2.15396 -1.55596  2.85259
H   3.51818 -0.70472  2.08754
H   4.10595  0.39473  0.22813
H   3.44622  0.96882 -1.33150
H   4.36063 -0.54557 -1.25787
H   1.97660 -1.27413 -3.51040
H   1.89358  0.43766 -3.03457
H   0.39130 -0.46532 -3.36963
H  -0.03534 -3.60675 -2.32151
H  -1.07860 -2.17334 -2.50754
H  -1.31319 -3.27946 -1.13007
H  -1.73288 -0.25567 -1.95605
H  -3.35834  0.87375  1.24445
H  -0.54847  4.37153  0.87002
H  -0.91029  2.98753  1.95203
H  -1.76791  3.14522  0.38145
H   2.09010  3.98649  0.98325
H   2.94114  2.46787  0.55349
H   1.97225  2.55105  2.05489
H  -0.15132  2.92530 -2.19601
H   1.62630  2.73839 -2.07081
H   0.84361  4.22057 -1.43318
H   0.28639  0.66211  3.27269
H  -1.50335  0.87606  3.33567
H  -0.77670 -0.74971  3.61274
H  -0.77217 -0.04428  1.96691
H  -1.81839  1.63393 -1.29138
H  -5.67485  0.39402 -0.25074
H  -4.71884  1.60675 -1.17903
H  -4.84522 -0.07183 -1.77988
H  -4.49873 -1.67845  1.20481
H  -3.56929 -2.30515 -0.19833
H  -2.72231 -1.92278  1.33418
52
Me-11''
C  -1.14448 -2.07790 -0.24482
C  -1.92963 -1.16696 -1.12122
C  -2.59388 -0.20287 -0.32188
C  -2.09976 -0.38773  1.04199
C  -1.30965 -1.64200  1.09743
Rh -0.24392 -0.03746  0.00589
P   0.26257  2.24689 -0.10836
C   1.45564  3.01212  1.09776
C  -2.04343 -1.33559 -2.60570
C  -3.62867  0.79138 -0.76822
C  -2.55608  0.36847  2.25105
C  -0.89180 -2.34247  2.35455
C  -0.44634 -3.32229 -0.70988
B   1.61451 -0.47996  1.00904
P   3.21581 -0.38957 -0.10220
C   4.76101 -0.73420  0.86988
C   3.30178 -1.54154 -1.55261
C   0.96533  2.75938 -1.76462
C  -1.19343  3.40270  0.04033
H  -1.06114 -1.53434 -3.06662
H  -2.48277 -0.45108 -3.09121
H  -2.68760 -2.20329 -2.84362
H  -4.63483  0.33297 -0.74527
H  -3.45611  1.14070 -1.79921
H  -3.66490  1.67290 -0.10992
H  -2.84445  1.40248  2.00677
H  -1.77578  0.39278  3.02724
H  -3.44530 -0.12609  2.68838
H  -1.74744 -2.91253  2.76306
H  -0.55990 -1.63279  3.12805
H  -0.06947 -3.04949  2.17344
H  -1.16038 -4.16444 -0.78011
H   0.35202 -3.61828 -0.01201
H  -0.00054 -3.19163 -1.70925
H   1.88265  0.27467  1.92945
H   1.64840 -1.65711  1.33698
H   3.52570  0.87696 -0.70484
H   1.12931  3.84949 -1.78675
H   0.26021  2.48110 -2.56293
H   1.92325  2.24923 -1.94714
H  -0.86197  4.44847 -0.06907
H  -1.66645  3.27935  1.02692
H  -1.93053  3.17247 -0.74301
H   2.43627  2.52133  1.02015
H   1.07908  2.85943  2.12069
H   1.56322  4.09051  0.89789
H   4.28038 -1.47918 -2.05212
H   3.14286 -2.56804 -1.18680
H   2.50423 -1.29327 -2.26916
H   5.65438 -0.67949  0.22887
H   4.83912 -0.00088  1.68638
H   4.67717 -1.74042  1.30889
52
Me-TS(11''-11)
C  -1.82471 -1.59697 -0.85935
C  -2.57400 -0.31459 -0.85330
C  -2.57347  0.17453  0.46624
C  -1.76263 -0.75811  1.29136
C  -1.43636 -1.92697  0.47733
Rh -0.32220 -0.08745 -0.15909
P   0.50708  2.08433  0.00911
C   1.18492  2.59397  1.66919
C  -3.25560  0.26987 -2.05573
C  -3.32647  1.35042  1.01443
C  -1.60189 -0.66136  2.77785
C  -0.88399 -3.23574  0.95877
C  -1.65018 -2.45535 -2.07485
B   1.51897 -1.11770  0.15226
P   3.39805 -0.55393  0.07078
C   4.49680 -1.74129  0.97733
C   4.13288 -0.43710 -1.62892
C   1.85497  2.62758 -1.16704
C  -0.75291  3.42325 -0.31629
H  -2.61620  0.21627 -2.95250
H  -3.53423  1.32307 -1.89816
H  -4.18285 -0.28690 -2.28802
H  -4.25634  1.00366  1.50323
H  -3.61791  2.06245  0.22724
H  -2.75138  1.89350  1.78244
H  -1.54124  0.38479  3.11729
H  -0.70100 -1.19162  3.12123
H  -2.47582 -1.11973  3.28075
H  -1.70430 -3.96355  1.09658
H  -0.36430 -3.12708  1.92218
H  -0.16630 -3.66621  0.24242
H  -2.60261 -2.96435 -2.31696
H  -0.88273 -3.22846 -1.92292
H  -1.37224 -1.85599 -2.95785
H   1.49099 -1.77462  1.17661
H   1.44584 -1.81197 -0.86694
H   3.78796  0.69646  0.66562
H   2.02444  3.71251 -1.06783
H   1.55410  2.40272 -2.20222
H   2.79436  2.10206 -0.94520
H  -0.28710  4.41720 -0.21275
H  -1.58602  3.34169  0.39576
H  -1.14715  3.31284 -1.33831
H   2.03240  1.94611  1.93790
H   0.39976  2.46749  2.43056
H   1.51145  3.64684  1.65264
H   5.19471 -0.15164 -1.58640
H   4.03658 -1.42597 -2.10421
H   3.57592  0.29364 -2.23390
H   5.55462 -1.44846  0.89635
H   4.19542 -1.76723  2.03538
H   4.35377 -2.74478  0.54716
52
Me-11
C  -2.06674 -0.09105  1.13328
C  -1.48043 -1.43303  1.16060
C  -1.56563 -1.95730 -0.17202
C  -2.29622 -0.98206 -1.00289
C  -2.65427  0.12855 -0.19165
Rh -0.30093 -0.09842 -0.18640
P   0.49595  2.08099 -0.10289
C   1.55539  2.60385 -1.55070
C  -0.99608 -2.15396  2.38684
C  -1.16373 -3.33411 -0.61896
C  -2.68665 -1.20473 -2.43558
C  -3.56397  1.25873 -0.58469
C  -2.32706  0.74842  2.35269
B   1.50611 -1.00951 -0.21508
P   3.39995 -0.53219 -0.10049
C   4.08685 -1.10536  1.51887
C   4.46526 -1.29913 -1.41148
C  -0.77724  3.44358 -0.12668
C   1.51026  2.59982  1.37831
H  -1.89992 -1.73198 -2.99779
H  -2.90305 -0.25791 -2.95396
H  -3.59935 -1.82788 -2.48987
H  -4.61991  0.96253 -0.44023
H  -3.44761  1.53587 -1.64481
H  -3.39829  2.15918  0.02518
H  -2.43204  1.81708  2.10840
H  -1.52558  0.64129  3.09993
H  -3.27221  0.43284  2.83389
H  -1.84163 -2.66467  2.88521
H  -0.54978 -1.46202  3.11792
H  -0.24485 -2.91877  2.13938
H  -2.01761 -4.03087 -0.53119
H  -0.34214 -3.73723 -0.00703
H  -0.83756 -3.34346 -1.67131
H   1.57133 -2.21638 -0.06410
H   3.77569  0.84867 -0.15223
H   1.91033  3.64002 -1.42395
H   0.95115  2.53425 -2.46879
H   2.42176  1.93535 -1.66217
H  -0.27599  4.42504 -0.15846
H  -1.39950  3.39408  0.77958
H  -1.42134  3.33538 -1.01176
H   2.38938  1.94665  1.48053
H   0.89386  2.48511  2.28381
H   1.83857  3.64909  1.29206
H   0.97171 -0.58728 -1.36970
H   5.52731 -1.07270 -1.23026
H   4.30847 -2.38870 -1.39601
H   4.16549 -0.91089 -2.39673
H   5.16907 -0.91420  1.57153
H   3.57341 -0.58083  2.33861
H   3.89500 -2.18540  1.61290
52
Me-TS(11-11')
C  -2.20212 -0.12158  1.08044
C  -1.56750 -1.42128  1.17720
C  -1.48865 -1.96717 -0.15706
C  -2.14953 -1.02775 -1.07106
C  -2.61424  0.08336 -0.30828
Rh -0.24410 -0.08855 -0.12221
P   0.47648  2.11066 -0.11012
C   1.40030  2.66789 -1.63284
C  -1.17746 -2.12391  2.44831
C  -1.03668 -3.35471 -0.52038
C  -2.41887 -1.28148 -2.52852
C  -3.50822  1.18275 -0.81257
C  -2.61979  0.72523  2.25204
B   1.47858 -0.94317  0.24228
P   3.38153 -0.54124 -0.10491
C   4.40064 -0.79877  1.41854
C   4.11783 -1.61909 -1.42116
C  -0.84383  3.42324 -0.01388
C   1.59846  2.66105  1.27976
H  -1.60867 -1.85710 -3.00178
H  -2.54114 -0.34297 -3.09116
H  -3.35145 -1.86404 -2.64961
H  -4.56222  0.84733 -0.80333
H  -3.27013  1.46993 -1.84962
H  -3.45575  2.08405 -0.18373
H  -2.75136  1.78234  1.97264
H  -1.88887  0.67698  3.07443
H  -3.59020  0.37558  2.65196
H  -2.02703 -2.71835  2.83318
H  -0.88704 -1.41206  3.23665
H  -0.33646 -2.81682  2.28979
H  -1.88380 -4.06219 -0.45415
H  -0.25030 -3.71949  0.15870
H  -0.64698 -3.40127 -1.54951
H   1.55375 -2.08965  0.65307
H   3.72502  0.78158 -0.52911
H   1.71928  3.71938 -1.54331
H   0.73518  2.55694 -2.50319
H   2.28288  2.03135 -1.79692
H  -0.38100  4.42249 -0.06617
H  -1.39335  3.33331  0.93529
H  -1.54817  3.30582 -0.85039
H   2.54773  2.10501  1.24135
H   1.10750  2.43967  2.23991
H   1.81173  3.74100  1.21339
H   0.72123 -0.31463 -1.39221
H   5.19292 -1.40988 -1.53194
H   3.97060 -2.67178 -1.13458
H   3.60086 -1.43082 -2.37420
H   5.46630 -0.63054  1.20187
H   4.06810 -0.10615  2.20636
H   4.25052 -1.83234  1.76681
52
Me-11'
C  -2.22218 -0.14539  1.06758
C  -1.54100 -1.40980  1.20591
C  -1.40578 -1.98391 -0.11808
C  -2.07398 -1.08893 -1.06559
C  -2.58929  0.02573 -0.33722
Rh -0.20776 -0.07423 -0.11904
P   0.44267  2.14738 -0.13045
C   1.25839  2.74275 -1.69754
C  -1.16849 -2.07976  2.49860
C  -0.92170 -3.37422 -0.43097
C  -2.30572 -1.38259 -2.52264
C  -3.49851  1.08953 -0.89088
C  -2.69492  0.71381  2.20889
B   1.46899 -0.83028  0.53654
P   3.32344 -0.56275 -0.10923
C   4.63547 -0.58186  1.19878
C   3.77840 -1.87672 -1.33449
C  -0.91344  3.41207  0.06234
C   1.62769  2.71901  1.19480
H  -1.47343 -1.95252 -2.96332
H  -2.43309 -0.46031 -3.11045
H  -3.22405 -1.98585 -2.64984
H  -4.54067  0.72065 -0.92444
H  -3.22436  1.37580 -1.91932
H  -3.50299  1.99804 -0.26951
H  -2.87157  1.75491  1.89664
H  -1.97429  0.72356  3.04182
H  -3.65354  0.33135  2.60675
H  -1.98828 -2.73914  2.83880
H  -0.97673 -1.34734  3.29823
H  -0.26823 -2.70606  2.39206
H  -1.75937 -4.09353 -0.36662
H  -0.14785 -3.70668  0.27835
H  -0.50632 -3.44320 -1.44851
H   1.55099 -1.77240  1.30326
H   3.56270  0.65190 -0.82563
H   1.52795  3.80899 -1.62260
H   0.55877  2.59561 -2.53483
H   2.16268  2.14935 -1.90117
H  -0.48560  4.42701  0.01211
H  -1.41261  3.28051  1.03422
H  -1.65346  3.29148 -0.74227
H   2.58134  2.17611  1.10579
H   1.19208  2.49605  2.18078
H   1.82127  3.80142  1.11117
H   0.61395 -0.14125 -1.46956
H   4.80542 -1.72146 -1.69852
H   3.70247 -2.85903 -0.84339
H   3.07111 -1.83772 -2.17632
H   5.63417 -0.47894  0.74780
H   4.46369  0.24289  1.90698
H   4.57097 -1.53615  1.74418
52
Me-TS(11''-9')1
C   0.88717 -2.10981 -0.51443
C   0.92593 -1.89486  0.90035
C   1.76699 -0.71950  1.11156
C   2.38596 -0.35631 -0.19521
C   1.82313 -1.18613 -1.18564
Rh  0.09591 -0.01089 -0.01199
P   0.00941  2.31746 -0.07041
C  -1.61068  3.12019 -0.53090
C   0.33685 -2.75993  1.97648
C   2.22290 -0.21678  2.44812
C   3.52022  0.61317 -0.35293
C   2.15155 -1.22193 -2.65113
C   0.17278 -3.21784 -1.23188
B  -1.60777  0.13473  1.30694
P  -2.81512 -0.44389 -0.14405
C  -3.39880 -2.20002 -0.03328
C  -4.36410  0.54145 -0.46420
C   0.44395  3.19398  1.51217
C   1.14176  3.12459 -1.31682
H   3.43065  1.47630  0.32613
H   3.61084  0.98550 -1.38502
H   4.47351  0.11150 -0.10064
H   2.82529 -2.06859 -2.88158
H   2.65774 -0.30094 -2.97855
H   1.24981 -1.35038 -3.27230
H  -0.32801 -2.86592 -2.14943
H  -0.56933 -3.71749 -0.59210
H   0.90299 -3.98736 -1.54582
H   1.08004 -3.50466  2.31648
H  -0.54757 -3.31403  1.62488
H   0.02617 -2.16698  2.84983
H   3.10671 -0.79389  2.78367
H   1.43854 -0.33061  3.21124
H   2.52065  0.84246  2.41328
H  -1.65529 -0.73991  2.14826
H  -2.20469 -0.41209 -1.45568
H  -1.47925  4.21324 -0.57913
H  -2.36797  2.87993  0.22854
H  -1.93717  2.75794 -1.51881
H   0.35283  4.28519  1.38526
H   1.47870  2.95101  1.79845
H  -0.23581  2.85004  2.30594
H   0.88221  2.76977 -2.32636
H   2.18907  2.86479 -1.10945
H   1.03001  4.22072 -1.27720
H  -2.00266  1.21883  1.68936
H  -3.94651 -2.49442 -0.94109
H  -2.53832 -2.86616  0.11753
H  -4.06093 -2.27772  0.84312
H  -4.97295  0.51997  0.45312
H  -4.10171  1.58421 -0.69112
H  -4.93281  0.11088 -1.30277
52
Me-INT(11''-9')
C  -2.01915 -0.80442 -0.72273
C  -1.98360 -0.75813  0.73447
C  -0.89870 -1.58946  1.18967
C  -0.29502 -2.20300  0.01859
C  -0.97720 -1.71519 -1.15923
Rh -0.02418  0.10378 -0.15527
P   2.31596  0.06412 -0.00771
C   3.29900  1.62469 -0.24470
C  -3.01182 -0.14100  1.63971
C  -0.61090 -1.93986  2.62237
C   0.67327 -3.35100  0.05136
C  -0.78113 -2.20911 -2.56677
C  -3.09485 -0.23736 -1.60781
B   0.27510  1.66923  1.71249
P  -0.45452  2.40244  0.15468
C  -2.21964  2.96122  0.06643
C   0.43065  3.63513 -0.90792
C   3.03977 -0.63614  1.55670
C   3.07969 -0.99779 -1.33554
H   1.43152 -3.25169  0.84371
H   1.18441 -3.49698 -0.91212
H   0.11630 -4.28316  0.26253
H  -1.42764 -3.08677 -2.75259
H   0.25754 -2.51949 -2.75730
H  -1.04504 -1.44085 -3.30914
H  -2.69929  0.05817 -2.59181
H  -3.58108  0.64128 -1.15875
H  -3.88193 -0.99464 -1.78084
H  -3.55038 -0.94142  2.17902
H  -3.76480  0.43276  1.07976
H  -2.55981  0.51344  2.40409
H  -1.26454 -2.76887  2.95359
H  -0.79048 -1.08558  3.29263
H   0.42984 -2.26847  2.76552
H  -0.48932  1.29228  2.55978
H   0.35815  0.68921 -1.56807
H   4.36894  1.38413 -0.13460
H   3.02314  2.38045  0.50360
H   3.12688  2.01429 -1.25964
H   4.13702 -0.69591  1.46855
H   2.63844 -1.64481  1.73282
H   2.76855  0.00938  2.40457
H   2.76294 -0.62295 -2.32079
H   2.75402 -2.04177 -1.22822
H   4.17913 -0.95794 -1.26368
H   1.42121  1.90746  1.98128
H  -2.60670  2.86680 -0.95991
H  -2.83799  2.37718  0.75922
H  -2.25442  4.02096  0.36839
H   0.21320  4.64576 -0.52576
H   1.51331  3.46717 -0.87549
H   0.07751  3.55432 -1.94792
52
Me-TS(11''-6)2
C   2.12047  0.11634 -1.08425
C   2.23257 -0.88636 -0.05841
C   1.92418 -0.25662  1.23366
C   1.61725  1.11781  0.98499
C   1.73809  1.36348 -0.45634
Rh  0.02293 -0.07716 -0.22256
P  -1.78872  1.36634 -0.03892
C  -3.20191  1.01990 -1.20300
C   2.91824 -2.21039 -0.26719
C   2.16409 -0.85278  2.59505
C   1.41950  2.16741  2.04392
C   1.82885  2.70656 -1.12684
C   2.52943 -0.05531 -2.52243
B  -0.08136 -2.87683  1.06258
P  -1.35878 -1.98087  0.01000
C  -1.77054 -2.84034 -1.58797
C  -2.96377 -1.96790  0.96708
C  -2.59663  1.55277  1.63155
C  -1.46591  3.14909 -0.46815
H   0.97422  1.74379  2.95761
H   0.77971  2.99621  1.70184
H   2.39257  2.60987  2.32838
H   2.89273  2.99018 -1.23312
H   1.34097  3.50282 -0.54765
H   1.39457  2.69425 -2.13889
H   1.99526  0.64042 -3.18689
H   2.34298 -1.07907 -2.88062
H   3.61200  0.14328 -2.63286
H   3.98624 -2.02741 -0.49012
H   2.50168 -2.77200 -1.11811
H   2.86958 -2.85391  0.62177
H   3.14366 -0.51408  2.98198
H   2.17725 -1.95158  2.57332
H   1.39887 -0.54156  3.32335
H   0.75701 -3.55070  0.54198
H  -0.51398 -0.18860 -1.69221
H  -4.03139  1.72059 -1.01429
H  -3.56920 -0.01030 -1.09728
H  -2.83756  1.15390 -2.23347
H  -3.40864  2.29707  1.58102
H  -1.84002  1.89166  2.35615
H  -3.00454  0.59230  1.97456
H  -1.04449  3.22252 -1.48125
H  -0.76142  3.59267  0.24983
H  -2.41456  3.70929 -0.42643
H  -0.13686 -2.70784  2.24875
H  -2.41610 -2.19561 -2.20446
H  -0.83498 -3.02853 -2.13464
H  -2.28336 -3.79522 -1.39117
H  -3.37567 -2.98972  0.96867
H  -2.74851 -1.67270  2.00476
H  -3.71357 -1.28937  0.53581
52
Me-INT(11''-6)2
C   2.17554  0.05081 -1.00354
C   2.24158 -0.90750  0.08270
C   1.79927 -0.22684  1.30788
C   1.54748  1.13891  0.98246
C   1.76629  1.32103 -0.46074
Rh  0.02242 -0.10600 -0.28389
P  -1.76404  1.36184 -0.05020
C  -3.36912  0.93495 -0.88926
C   3.12369 -2.13056  0.04474
C   1.83673 -0.82826  2.68437
C   1.31355  2.24790  1.96950
C   1.89491  2.63252 -1.18820
C   2.67466 -0.19235 -2.40130
B   0.24563 -2.78752 -0.13423
P  -1.42468 -1.95414 -0.04799
C  -2.53093 -2.41676 -1.46779
C  -2.41152 -2.24515  1.50246
C  -2.31525  1.69320  1.69827
C  -1.48873  3.07705 -0.71810
H   0.83510  1.88511  2.89239
H   0.69934  3.06253  1.55406
H   2.28175  2.69631  2.26042
H   2.96504  2.88573 -1.30430
H   1.42738  3.46476 -0.64297
H   1.45794  2.59208 -2.19804
H   2.21502  0.49899 -3.12345
H   2.46588 -1.22076 -2.73345
H   3.76990 -0.04341 -2.44463
H   4.17463 -1.78552  0.10322
H   3.01696 -2.70244 -0.88804
H   2.94620 -2.80967  0.88924
H   2.86287 -0.79070  3.09571
H   1.52905 -1.88598  2.67255
H   1.18135 -0.28886  3.38584
H   0.64477 -3.14150 -1.20728
H  -0.49410 -0.21324 -1.76341
H  -4.05476  1.79446 -0.81578
H  -3.84137  0.06917 -0.40228
H  -3.18536  0.70344 -1.94907
H  -3.15462  2.40803  1.70556
H  -1.47924  2.11061  2.27787
H  -2.63187  0.75053  2.16878
H  -1.22722  3.02024 -1.78550
H  -0.67201  3.57303 -0.17589
H  -2.40918  3.67161 -0.59761
H   0.75259 -3.09568  0.90539
H  -3.41822 -1.77315 -1.54289
H  -1.94379 -2.33981 -2.39473
H  -2.85561 -3.46034 -1.32892
H  -2.79117 -3.27979  1.50158
H  -1.75573 -2.10321  2.37430
H  -3.26646 -1.55414  1.56995
52
Me-TS(11''-6)2'
C   2.16988  0.23371 -0.99082
C   2.24833 -0.87769 -0.06474
C   1.79847 -0.39239  1.25056
C   1.51629  0.99960  1.13633
C   1.74090  1.39894 -0.26257
Rh  0.02587 -0.08550 -0.30476
P  -1.77353  1.37188 -0.05099
C  -3.28304  1.07379 -1.09607
C   3.14859 -2.06594 -0.29311
C   1.83829 -1.20011  2.51695
C   1.23396  1.94092  2.27464
C   1.87191  2.80671 -0.77667
C   2.67671  0.21340 -2.40648
B   0.25031 -2.72417 -0.54955
P  -1.39678 -1.96561 -0.09651
C  -2.72783 -2.31684 -1.34734
C  -2.10185 -2.46258  1.55129
C  -2.49071  1.48086  1.66517
C  -1.45064  3.16131 -0.44871
H   0.75654  1.42668  3.12319
H   0.59033  2.78410  1.97634
H   2.17943  2.37742  2.64676
H   2.94339  3.07732 -0.82148
H   1.38384  3.54355 -0.12357
H   1.46738  2.92001 -1.79460
H   2.21954  1.00778 -3.01526
H   2.47366 -0.75129 -2.89572
H   3.77167  0.37063 -2.41912
H   4.19555 -1.70653 -0.25620
H   2.99571 -2.53385 -1.27657
H   3.03197 -2.83936  0.47784
H   2.86701 -1.22951  2.92229
H   1.52904 -2.24347  2.34318
H   1.19079 -0.77263  3.29835
H   0.50285 -2.91803 -1.70505
H  -0.48401 -0.11639 -1.79017
H  -3.96998  1.92894 -0.99218
H  -3.80226  0.16303 -0.76934
H  -2.99025  0.96321 -2.15078
H  -3.32625  2.19995  1.68487
H  -1.71506  1.80649  2.37452
H  -2.85301  0.48915  1.97316
H  -1.06787  3.25326 -1.47584
H  -0.71436  3.58369  0.24856
H  -2.39222  3.72705 -0.35726
H   0.88540 -3.17907  0.35629
H  -3.68592 -1.84740 -1.08221
H  -2.39638 -1.95687 -2.33203
H  -2.87181 -3.40801 -1.39025
H  -2.42861 -3.51413  1.50587
H  -1.31925 -2.36054  2.31724
H  -2.96356 -1.83315  1.82312
52
Me-6
C  -1.23175 -1.16231  1.25410
C  -1.48587 -1.76623 -0.05969
C  -2.10962 -0.77007 -0.88252
C  -2.28515  0.44011 -0.09156
C  -1.76944  0.18044  1.24143
Rh -0.06301  0.02951 -0.24992
P   2.02870 -1.03127 -0.07405
C   3.28990 -0.60408 -1.37418
C  -1.36272 -3.22271 -0.40863
C  -2.61276 -0.95867 -2.28452
C  -3.09374  1.62514 -0.54012
C  -1.91566  1.07030  2.44290
C  -0.76190 -1.89922  2.47730
B   0.60342  1.66157 -2.01143
P   0.84798  2.20110 -0.18605
C   2.53738  2.65983  0.44554
C  -0.19225  3.60594  0.43534
C   2.93496 -0.81421  1.53971
C   2.02189 -2.88620 -0.23300
H  -2.74614  2.02051 -1.50872
H  -3.07639  2.44075  0.19790
H  -4.15104  1.32902 -0.66865
H  -2.83081  0.79616  3.00020
H  -2.00926  2.13008  2.16428
H  -1.06583  0.97078  3.13561
H  -0.31167 -1.22049  3.21813
H  -0.02629 -2.68240  2.23474
H  -1.61705 -2.40062  2.96786
H  -2.34929 -3.71006 -0.29642
H  -0.66540 -3.75620  0.25226
H  -1.04191 -3.37826 -1.45060
H  -3.68762 -1.21864 -2.26407
H  -2.08458 -1.77139 -2.80567
H  -2.50584 -0.03952 -2.88086
H   1.62099  1.54360 -2.65007
H   0.34376  0.30593 -1.90599
H   4.23608 -1.12485 -1.15483
H   3.46932  0.47795 -1.42964
H   2.90753 -0.93205 -2.35319
H   3.87824 -1.38493  1.53276
H   2.29595 -1.18090  2.35776
H   3.15285  0.24804  1.71740
H   1.53484 -3.17933 -1.17436
H   1.48460 -3.34298  0.61068
H   3.06111 -3.25387 -0.23132
H  -0.38008  2.13906 -2.52389
H  -0.23350  3.61598  1.53568
H   0.26096  4.54898  0.08722
H  -1.20537  3.53018  0.01995
H   2.54449  2.68767  1.54680
H   3.30190  1.95634  0.09009
H   2.78374  3.66384  0.06165
52
Me-TS(11''-6)3
C  -2.47378  0.19277  0.35831
C  -1.62021 -0.47974  1.34635
C  -1.17928 -1.74326  0.77243
C  -1.60415 -1.74757 -0.61026
C  -2.43879 -0.56159 -0.84227
Rh -0.14436 -0.06933 -0.26529
P   0.52343  2.19743 -0.02693
C   2.07685  2.67906 -0.92909
C  -1.52641 -0.11184  2.80149
C  -0.59616 -2.89969  1.53477
C  -1.46217 -2.88910 -1.57547
C  -3.17795 -0.27169 -2.11668
C  -3.32862  1.39520  0.63931
B   1.42372 -1.11312 -1.18212
P   2.93413 -0.66399 -0.03399
C   3.09484 -2.09697  1.14801
C   4.68180 -0.56665 -0.76408
C  -0.69390  3.40810 -0.75157
C   0.81394  2.85919  1.68802
H  -0.59252 -3.52054 -1.33913
H  -1.35297 -2.53752 -2.61356
H  -2.36272 -3.52963 -1.53536
H  -4.11909 -0.85131 -2.15843
H  -2.58718 -0.55131 -3.00345
H  -3.44399  0.79297 -2.20562
H  -3.58215  1.95109 -0.27678
H  -2.85633  2.08955  1.35305
H  -4.28289  1.07503  1.09841
H  -2.36715 -0.56112  3.36360
H  -1.57933  0.97705  2.95739
H  -0.59198 -0.47468  3.25626
H  -1.41484 -3.52733  1.93562
H   0.00261 -2.56468  2.39603
H   0.03223 -3.54399  0.90174
H   1.37470 -2.08595 -1.89170
H   1.67439  0.18555  0.57372
H   2.28761  3.74811 -0.76599
H   1.94412  2.49130 -2.00573
H   2.92718  2.08560 -0.55925
H  -0.30333  4.43521 -0.66273
H  -1.65708  3.34101 -0.22700
H  -0.84961  3.16613 -1.81414
H   1.63035  2.29249  2.16171
H  -0.09717  2.73552  2.29290
H   1.08078  3.92789  1.65042
H   0.76063 -0.07145 -1.75271
H   3.87226 -1.86117  1.89168
H   2.13889 -2.25947  1.66415
H   3.37837 -3.01295  0.60640
H   5.41168 -0.37657  0.03833
H   4.91366 -1.52454 -1.25954
H   4.72929  0.24630 -1.50337
52
Me-INT(11''-6)
C  -2.31834  0.03166  0.87114
C  -1.73038 -1.23046  1.26487
C  -1.50426 -2.02107  0.06541
C  -1.98514 -1.25624 -1.06727
C  -2.47670  0.01435 -0.58423
Rh -0.27892 -0.11084 -0.05181
P   0.42036  2.12478 -0.09324
C   1.66467  2.50522 -1.42181
C  -1.49276 -1.68766  2.67454
C  -1.01497 -3.43868  0.02385
C  -2.03015 -1.73023 -2.48995
C  -3.23871  1.01353 -1.40839
C  -2.88796  1.05159  1.81675
B   1.67490 -1.09835 -0.25194
P   3.53852 -0.73970 -0.48191
C   4.27398  0.52631  0.69616
C   4.43133 -2.31289  0.00521
C  -0.85247  3.44553 -0.40751
C   1.20545  2.71968  1.48559
H  -1.19077 -2.40181 -2.72605
H  -2.01244 -0.89161 -3.20249
H  -2.96480 -2.29527 -2.66583
H  -4.27587  0.65975 -1.55722
H  -2.79502  1.15117 -2.40731
H  -3.29893  1.99579 -0.91809
H  -2.99256  2.04193  1.34879
H  -2.27260  1.15988  2.72327
H  -3.89859  0.74007  2.14026
H  -2.40153 -2.18663  3.06089
H  -1.26762 -0.84638  3.34760
H  -0.66682 -2.41193  2.73771
H  -1.86713 -4.13562  0.12541
H  -0.30945 -3.65359  0.84105
H  -0.50855 -3.66831 -0.92615
H   1.50183 -2.28348 -0.40053
H   1.17334 -0.46331  0.84814
H   2.05036  3.53166 -1.30976
H   1.16898  2.40647 -2.40043
H   2.49800  1.78724 -1.38932
H  -0.35218  4.42766 -0.43606
H  -1.60533  3.45630  0.39454
H  -1.34815  3.26655 -1.37289
H   2.05146  2.06871  1.74839
H   0.46000  2.66701  2.29428
H   1.55520  3.75985  1.37907
H   0.93244 -0.42110 -1.23165
H   5.36616  0.52631  0.55351
H   3.90971  1.53789  0.46365
H   4.05358  0.28415  1.74878
H   5.49653 -2.21779 -0.25674
H   4.33937 -2.52128  1.08331
H   4.00370 -3.15052 -0.56563
52
Me-TS(11''-6)4
C   2.24928  0.27007  0.87982
C   2.37040  0.36127 -0.57874
C   2.07412 -0.95602 -1.13714
C   1.75604 -1.83938 -0.04830
C   1.85614 -1.07660  1.19555
Rh  0.26987 -0.10226 -0.12207
P  -0.78680  1.99656  0.05908
C  -2.06279  2.39439 -1.23574
C   2.96699  1.50069 -1.34828
C   2.15499 -1.33417 -2.58596
C   1.49836 -3.31348 -0.15237
C   1.66537 -1.63827  2.57142
C   2.68287  1.30705  1.87824
B  -1.54004 -1.45608 -0.99522
P  -3.04351 -0.84554  0.00902
C  -4.65846 -0.75294 -0.93065
C  -3.39991 -2.00061  1.43469
C  -1.65562  2.34474  1.66982
C   0.31366  3.49455 -0.09668
H   1.04940 -3.58205 -1.12033
H   0.82756 -3.67357  0.64306
H   2.45187 -3.86561 -0.05887
H   2.61331 -2.08642  2.92677
H   0.90475 -2.43391  2.58923
H   1.37674 -0.86203  3.29647
H   2.05946  1.29511  2.78605
H   2.66164  2.32337  1.45813
H   3.72450  1.11062  2.19328
H   4.05092  1.32198 -1.48368
H   2.85900  2.46058 -0.82352
H   2.52598  1.59566 -2.35311
H   3.15826 -1.73743 -2.81826
H   1.98306 -0.46853 -3.24349
H   1.41717 -2.11064 -2.84194
H  -1.62068 -1.92786 -2.10690
H  -0.79179 -0.35173 -1.42618
H  -2.49092  3.39168 -1.04477
H  -2.86526  1.64409 -1.21141
H  -1.58497  2.38304 -2.22736
H  -2.02259  3.38464  1.68843
H  -0.95908  2.18799  2.50801
H  -2.49646  1.64256  1.76738
H   0.82617  3.48741 -1.07006
H   1.06017  3.51343  0.71089
H  -0.30408  4.40477 -0.02524
H  -0.93325 -2.09300 -0.14158
H  -4.14924 -1.55259  2.10489
H  -3.77787 -2.96643  1.06035
H  -2.47113 -2.17027  1.99953
H  -5.44684 -0.29284 -0.31523
H  -4.52030 -0.15366 -1.84380
H  -4.97330 -1.76914 -1.22340
52
Me-TS(11''-9')2
C  -2.36490  0.26502  0.22712
C  -1.83153 -0.52505  1.29707
C  -1.31178 -1.75846  0.71824
C  -1.49367 -1.72742 -0.70560
C  -2.10229 -0.44008 -1.03615
Rh -0.17168  0.09002 -0.24686
P   2.53817 -0.60566  0.09149
C   3.57440 -0.07273 -1.35438
C  -1.92889 -0.23920  2.77015
C  -0.83739 -2.92065  1.54263
C  -1.29539 -2.86186 -1.67313
C  -2.65425 -0.05375 -2.37945
C  -3.21041  1.49919  0.35537
B   1.80962  1.17175  0.99965
P   0.50693  2.22938  0.02626
C  -0.40771  3.41418  1.12099
C   1.17650  3.26595 -1.35658
C   3.76945 -0.99950  1.44074
C   2.09261 -2.35042 -0.41291
H  -0.55986 -3.59611 -1.31060
H  -0.96220 -2.50472 -2.66019
H  -2.24814 -3.40265 -1.82420
H  -3.68175 -0.44795 -2.49435
H  -2.04540 -0.46179 -3.20024
H  -2.70098  1.03892 -2.50355
H  -3.08307  2.18022 -0.50029
H  -3.00239  2.05650  1.28086
H  -4.27695  1.20717  0.38309
H  -2.76718 -0.79971  3.22444
H  -2.10800  0.82892  2.96779
H  -1.01164 -0.53119  3.30655
H  -1.69831 -3.36546  2.07607
H  -0.11265 -2.61720  2.31683
H  -0.39223 -3.71876  0.93031
H   1.58209  0.98867  2.16712
H   0.52007  0.20119 -1.66959
H   4.33044 -0.84689 -1.56050
H   4.07731  0.87922 -1.13149
H   2.92927  0.04597 -2.23780
H   4.47200 -1.77179  1.08918
H   3.22937 -1.37684  2.32319
H   4.31749 -0.09026  1.72531
H   1.47383 -2.32278 -1.31886
H   1.54677 -2.84845  0.39916
H   3.03031 -2.89910 -0.60682
H   2.91897  1.57786  0.72772
H  -1.27492  3.84207  0.59407
H  -0.74560  2.88154  2.02145
H   0.27203  4.22975  1.41674
H   1.76527  4.10596 -0.95328
H   1.81356  2.63964 -1.99691
H   0.34498  3.66099 -1.96176
52
Me-9'
C  -2.36032  0.45713  0.96691
C  -2.05570 -0.89229  1.26962
C  -2.07929 -1.67999  0.01376
C  -2.39715 -0.80705 -1.06394
C  -2.48033  0.55757 -0.50484
Rh -0.47308 -0.06309 -0.23435
P   3.31546 -0.65840  0.07106
C   3.67446 -0.70826 -1.74213
C  -1.83257 -1.47852  2.63299
C  -1.91629 -3.17083 -0.05761
C  -2.68203 -1.18402 -2.49031
C  -2.93966  1.77130 -1.25288
C  -2.62691  1.56821  1.94030
B   2.75075  1.04906  0.80638
P   1.03020  1.69342  0.05285
C   0.53370  3.05162  1.23181
C   1.40133  2.66094 -1.49799
C   4.85430 -1.26074  0.90017
C   2.04569 -1.97503  0.35807
H  -2.16326 -2.11037 -2.78011
H  -2.37480 -0.39216 -3.18984
H  -3.76669 -1.34994 -2.62709
H  -4.04643  1.80749 -1.26373
H  -2.59785  1.75934 -2.29900
H  -2.58551  2.69973 -0.77886
H  -2.32350  2.54902  1.54389
H  -2.10650  1.41046  2.89762
H  -3.70964  1.62528  2.15899
H  -2.76875 -1.92655  3.01594
H  -1.50808 -0.71671  3.35810
H  -1.07752 -2.28108  2.61638
H  -2.86561 -3.67099  0.21182
H  -1.15112 -3.53674  0.64597
H  -1.64263 -3.50533 -1.06993
H   2.58745  0.82698  1.99062
H   0.20832 -0.03527 -1.66635
H   4.05357 -1.69979 -2.03541
H   4.42836  0.05755 -1.98161
H   2.74906 -0.49203 -2.29838
H   5.14389 -2.25042  0.51441
H   4.68111 -1.31894  1.98553
H   5.66470 -0.54002  0.71116
H   1.09830 -1.67798 -0.16184
H   1.86025 -2.06896  1.43880
H   2.35978 -2.94693 -0.05549
H   3.61606  1.86990  0.57506
H  -0.32380  3.61577  0.83206
H   0.26801  2.61605  2.20575
H   1.38473  3.73897  1.36567
H   2.13423  3.45319 -1.27562
H   1.81194  1.98573 -2.26307
H   0.47662  3.11264 -1.88995
52
Me-TS(9'-9)
C  -2.64207  0.76112  0.49293
C  -2.42824 -0.37642  1.31022
C  -2.30246 -1.56322  0.43162
C  -2.46449 -1.15824 -0.92355
C  -2.57359  0.31093 -0.91906
Rh -0.64858 -0.10384 -0.15843
P   0.98305  1.49907  0.04996
C   0.62734  2.98351  1.12231
C  -2.41200 -0.42858  2.81041
C  -2.11375 -2.96352  0.93438
C  -2.56686 -2.04208 -2.13483
C  -2.88173  1.16075 -2.11358
C  -2.97582  2.15515  0.93894
B   2.35761  0.47768  1.06677
P   3.65496 -0.61768  0.10901
C   4.73989  0.26731 -1.10120
C   1.66663  2.28607 -1.49603
C   4.82258 -1.32793  1.35525
C   2.96173 -2.07274 -0.79581
H  -2.03563 -2.99535 -1.99105
H  -2.14990 -1.55628 -3.02990
H  -3.62638 -2.27856 -2.34468
H  -3.97595  1.19194 -2.28107
H  -2.41547  0.75983 -3.02641
H  -2.53834  2.19759 -1.97522
H  -2.57726  2.91653  0.24994
H  -2.58937  2.36823  1.94726
H  -4.07350  2.28776  0.96923
H  -3.37378 -0.81865  3.19295
H  -2.25851  0.56761  3.25246
H  -1.62002 -1.09490  3.18988
H  -3.07283 -3.36577  1.31188
H  -1.39795 -3.00233  1.77200
H  -1.75796 -3.63910  0.14202
H   1.79829 -0.30459  1.81933
H   0.21663 -0.43516 -1.45089
H   5.54020 -0.40190 -1.45382
H   5.18847  1.14350 -0.60825
H   4.14660  0.60678 -1.96304
H   5.56851 -1.97206  0.86398
H   4.25177 -1.91507  2.09070
H   5.33096 -0.50439  1.87953
H   2.24244 -1.72613 -1.55381
H   2.42644 -2.71006 -0.07465
H   3.76403 -2.65519 -1.27506
H   3.02170  1.28436  1.69182
H   1.53733  3.59706  1.22431
H  -0.17629  3.59405  0.68193
H   0.31803  2.63870  2.12042
H   2.57292  2.87066 -1.26919
H   1.89230  1.50426 -2.23603
H   0.90726  2.95747 -1.92782
52
Me-9
C  -2.15056 -0.68844  1.31074
C  -2.05008 -1.66005  0.21286
C  -2.37057 -0.98393 -1.01445
C  -2.59811  0.42579 -0.70298
C  -2.51369  0.57700  0.75569
Rh -0.52778 -0.02961 -0.19877
P   0.94748  1.70514 -0.00468
C   0.73374  3.07308  1.23411
C  -1.81920 -3.13638  0.37855
C  -2.54912 -1.62196 -2.36456
C  -3.11364  1.46185 -1.66291
C  -2.85964  1.82349  1.52164
C  -2.00340 -1.02221  2.76904
B   1.70368  0.09564  0.77897
P   3.33762 -0.71140  0.08017
C   4.83222  0.32908  0.39549
C   1.74199  2.52901 -1.47139
C   3.66065 -2.31885  0.93435
C   3.32809 -1.09281 -1.72574
H  -2.72512  1.30068 -2.68020
H  -2.83522  2.48034 -1.35102
H  -4.21799  1.42100 -1.71636
H  -3.94746  1.85777  1.71775
H  -2.60160  2.73696  0.96333
H  -2.35069  1.86133  2.49744
H  -1.75618 -0.13429  3.37106
H  -1.21793 -1.77571  2.93923
H  -2.94764 -1.43897  3.16609
H  -2.77599 -3.65575  0.57389
H  -1.15141 -3.35416  1.22692
H  -1.37944 -3.58265 -0.52679
H  -3.60133 -1.93627 -2.49395
H  -1.91803 -2.51593 -2.48285
H  -2.30736 -0.92412 -3.18028
H   0.86211 -0.89421  0.50010
H   0.18975 -0.16909 -1.60554
H   5.74336 -0.20109  0.07715
H   4.89490  0.55253  1.47161
H   4.74765  1.27472 -0.16131
H   4.60119 -2.76811  0.57898
H   2.82603 -3.00839  0.73443
H   3.72282 -2.14062  2.01881
H   3.33012 -0.15581 -2.30245
H   2.41100 -1.65278 -1.96540
H   4.21462 -1.68762 -1.99503
H   1.82169  0.16378  1.98199
H   1.69726  3.56732  1.43903
H   0.02058  3.82065  0.85154
H   0.34095  2.64097  2.16578
H   2.69403  3.01179 -1.19596
H   1.90381  1.78656 -2.26589
H   1.05444  3.29921 -1.85734
30
H2BPtBu2
C   1.62904 -0.24656  0.00773
P  -0.00233  0.70846 -0.37423
C  -1.63937 -0.23183  0.00806
B   0.04860  2.48537  0.06830
H  -0.96801  3.12396  0.11785
H   1.11716  3.03827  0.11153
C   1.55626 -1.69727 -0.51331
C   2.73757  0.50504 -0.76480
C   1.95625 -0.23554  1.51707
C  -1.91250 -1.26373 -1.11079
C  -1.60433 -0.93011  1.38319
C  -2.76595  0.82377 -0.00394
H   3.71117  0.01803 -0.56685
H   2.55965  0.48640 -1.85290
H   2.81691  1.55750 -0.44904
H   2.54157 -2.18219 -0.37820
H   0.81846 -2.30648  0.03503
H   1.30918 -1.73520 -1.58767
H   2.91686 -0.75747  1.69569
H   2.05100  0.79571  1.89301
H   1.18358 -0.74548  2.11414
H  -2.88137 -1.76451 -0.92337
H  -1.96596 -0.77767 -2.09912
H  -1.13868 -2.04601 -1.15790
H  -2.57810 -1.42198  1.57257
H  -0.82965 -1.71274  1.43241
H  -1.42111 -0.21068  2.19789
H  -3.73949  0.30767  0.09352
H  -2.66985  1.53741  0.82918
H  -2.78317  1.39899 -0.94506
32
H3BPtBu2H
C   1.61133 -0.29226  0.01337
P  -0.00239  0.63183 -0.44634
C  -1.61690 -0.28954  0.01490
B   0.01140  2.51628  0.09682
H  -0.82936  3.06237 -0.59323
H  -0.27153  2.49567  1.28549
H   1.14387  2.91341 -0.11928
H  -0.00820  0.43219 -1.87032
C   1.54823 -1.81758 -0.19184
C   2.68672  0.30463 -0.92744
C   1.96756  0.04149  1.47965
C  -1.80016 -1.59805 -0.78135
C  -1.64874 -0.55649  1.53459
C  -2.75624  0.68985 -0.35928
H   3.67630 -0.10208 -0.64877
H   2.49999  0.03896 -1.98260
H   2.73405  1.40264 -0.84783
H   2.55216 -2.24705 -0.01471
H   0.85706 -2.30689  0.51402
H   1.24921 -2.08770 -1.21893
H   2.95605 -0.39088  1.72106
H   2.01655  1.12965  1.64536
H   1.23658 -0.38014  2.18948
H  -2.79320 -2.02674 -0.54989
H  -1.76378 -1.42054 -1.87017
H  -1.04582 -2.35905 -0.53185
H  -2.64293 -0.94957  1.81652
H  -0.89952 -1.30517  1.84289
H  -1.47610  0.36824  2.11003
H  -3.72710  0.21541 -0.12372
H  -2.68218  1.63579  0.19859
H  -2.75397  0.93034 -1.43682
60
CptBu-10
C   3.04424 -0.74712 -1.84346
C   1.80973 -1.32450 -2.22166
C   1.52093 -2.41305 -1.29799
C   2.59909 -2.51256 -0.37413
C   3.52757 -1.44288 -0.65627
Rh  1.64504 -0.49054 -0.03963
C   1.62986 -0.86302  2.04487
H   1.17593 -1.00589 -3.04831
H   0.64850 -3.06526 -1.33706
H   2.68863 -3.23573  0.43645
H   4.48438 -1.28138 -0.15971
H   3.54714  0.07873 -2.34682
B  -0.68731  0.43165 -0.55387
P  -2.48150  0.32306  0.29102
C  -3.76749  1.26903 -0.77566
C  -4.99420  1.65217  0.08108
P   2.30002  1.65495  0.49828
C   1.30402  2.57060  1.77194
C  -3.00187 -1.42210  0.87743
C  -2.11195 -1.72148  2.10772
C  -4.48413 -1.50179  1.29507
C  -2.70047 -2.43508 -0.24906
C   4.03174  1.77319  1.16517
C   2.32431  2.82733 -0.94554
C  -3.07805  2.56328 -1.26866
C  -4.18094  0.40492 -1.98598
H  -0.80313 -0.11693 -1.62431
H  -2.52711  1.07136  1.51386
H  -2.31923 -1.03304  2.94469
H  -1.03721 -1.67282  1.87032
H  -2.32920 -2.74577  2.46015
H  -4.67352 -2.50284  1.72284
H  -5.17103 -1.37964  0.44285
H  -4.74263 -0.76033  2.06930
H  -1.64065 -2.40400 -0.54991
H  -3.31869 -2.26409 -1.14499
H  -2.92060 -3.45358  0.11722
H  -5.68614  2.24487 -0.54381
H  -4.71361  2.27796  0.94513
H  -5.55091  0.77927  0.45011
H  -2.23646  2.35569 -1.94668
H  -2.70922  3.18422 -0.43391
H  -3.82310  3.16322 -1.82124
H  -3.31178  0.09273 -2.58876
H  -4.84093  1.00207 -2.63980
H  -4.74410 -0.49399 -1.68734
H   1.69199  3.59641  1.87939
H   1.37397  2.05495  2.74094
H   0.25216  2.60685  1.45292
H   4.28668  2.82091  1.39398
H   4.74091  1.38408  0.41859
H   4.11495  1.17017  2.08234
H   1.32454  2.85601 -1.40319
H   3.04780  2.47273 -1.69520
H   2.61246  3.83834 -0.61360
H   2.65705 -0.81797  2.44301
H   0.99469 -0.15782  2.60255
H   1.23900 -1.88194  2.19677
H  -0.02016 -0.21039  0.37653
H  -0.46378  1.61700 -0.61135
56
CpPh-10
C   3.22405 -2.50018 -0.65065
C   3.41868 -1.35479  0.14813
C   4.72259 -0.95111  0.51106
C   5.82458 -1.70050  0.07709
C   5.63157 -2.84382 -0.71825
C   4.33553 -3.24165 -1.08190
P   1.96181 -0.39810  0.72863
C   2.31387  1.39044  0.50487
C   2.11635  2.28970  1.57356
C   2.31968  3.66517  1.37575
C   2.72017  4.14388  0.11761
C   2.92320  3.24751 -0.94673
C   2.71988  1.87171 -0.75877
B   0.26319 -1.02474 -0.05418
Rh -1.91286  0.30423 -0.03544
P  -2.99947 -1.68796  0.37275
C  -2.76469 -2.94554 -0.97706
C  -2.93839  0.76218 -2.04280
C  -1.57348  1.09206 -2.21480
C  -1.23518  2.13034 -1.25150
C  -2.41117  2.45444 -0.51645
C  -3.46668  1.56900 -0.94906
H  -3.50045  0.03004 -2.62337
H  -0.88759  0.63944 -2.93030
H  -0.25616  2.59611 -1.13564
H  -2.49115  3.20117  0.27341
H  -4.50330  1.59826 -0.61360
C  -2.12713  0.73575  2.02713
C  -2.56731 -2.63118  1.91363
C  -4.84773 -1.52594  0.49483
H   0.38777 -0.87466 -1.24483
H   1.97670 -0.51403  2.15619
H  -3.09833 -3.59686  1.91577
H  -2.86438 -2.05390  2.80158
H  -1.48229 -2.80949  1.94219
H  -5.31074 -2.51352  0.65457
H  -5.24187 -1.08746 -0.43462
H  -5.10338 -0.86443  1.33676
H  -1.68940 -3.15174 -1.08546
H  -3.14419 -2.53841 -1.92674
H  -3.30209 -3.87771 -0.73646
H  -3.18768  0.91853  2.26459
H  -1.74222 -0.06782  2.67281
H  -1.55024  1.65334  2.22430
H  -0.45571 -0.21912  0.68751
H   0.11775 -2.16893  0.31633
H   1.81446  1.92123  2.55998
H   2.17543  4.35966  2.20909
H   2.88562  5.21528 -0.03186
H   3.24929  3.61895 -1.92318
H   2.89331  1.17558 -1.58623
H   4.87727 -0.05518  1.12126
H   6.83547 -1.39035  0.35863
H   6.49567 -3.42423 -1.05614
H   4.18646 -4.13016 -1.70291
H   2.21348 -2.81025 -0.93266
42
CpMe-10
C   1.18168 -2.64071  0.57415
C   2.27962 -1.87765  0.02970
C   1.94433 -1.55624 -1.35255
C   0.64182 -2.04179 -1.61743
C   0.15658 -2.69839 -0.41269
Rh  0.56268 -0.50570  0.14921
B  -1.62822  0.47764 -0.68488
P  -3.40482  0.50804  0.15454
C  -4.68766  1.14901 -1.01065
H   3.23717 -1.69768  0.51774
H   2.59030 -1.03390 -2.05888
H   0.09087 -1.93532 -2.55136
H  -0.81091 -3.18833 -0.30228
H   1.13133 -3.05440  1.58130
P   1.51391  1.58958 -0.04353
C   3.27930  1.67612  0.53190
C   0.44873 -0.14925  2.23527
C   1.60178  2.22432 -1.79014
C   0.71160  2.99439  0.87093
C  -4.02655 -1.10427  0.81002
H  -1.75546 -0.30363 -1.59818
H  -3.50512  1.38464  1.28134
H   1.22001  3.93834  0.61656
H   0.78399  2.82733  1.95563
H  -0.34749  3.06034  0.58121
H   3.67123  2.69940  0.41346
H   3.89662  0.98300 -0.05969
H   3.33321  1.38593  1.59211
H   0.58499  2.28828 -2.20577
H   2.19353  1.53056 -2.40628
H   2.07244  3.22128 -1.81116
H   1.46107 -0.17189  2.66925
H  -0.03267  0.80868  2.48302
H  -0.14714 -0.96578  2.67369
H  -1.01268  0.11212  0.41463
H  -1.42508  1.62624 -1.00900
H  -5.67368  1.18265 -0.52340
H  -4.40046  2.15881 -1.34017
H  -4.72864  0.48666 -1.88918
H  -5.02713 -0.98615  1.25242
H  -4.07467 -1.82838 -0.01810
H  -3.32881 -1.47806  1.57482
68
CpCy-10
C  -3.62612 -1.26901  1.47581
C  -3.02131 -1.56867  0.08255
C  -4.11442 -1.88963 -0.96401
C  -4.98147 -3.07117 -0.47689
C  -5.58908 -2.79756  0.91196
C  -4.49890 -2.45331  1.94437
P  -1.78998 -0.24594 -0.44690
C  -2.42232  1.48778 -0.11844
C  -3.78199  1.78374 -0.79549
C  -4.24012  3.23112 -0.51265
C  -3.17505  4.25847 -0.93479
C  -1.82528  3.96441 -0.25668
C  -1.34826  2.52317 -0.53814
B  -0.04109 -0.73517  0.33103
Rh  2.29003  0.26896  0.24954
C   2.27710  1.38324 -1.55154
C   3.18901  2.04956  1.31697
C   4.14735  0.97591  1.20261
C   3.67585 -0.11984  2.04049
C   2.42300  0.24704  2.58729
C   2.10791  1.58920  2.12203
H   3.26042  3.02160  0.82884
H   5.11025  1.02951  0.69451
H   4.20050 -1.05983  2.21331
H   1.79523 -0.36671  3.23225
H   1.21332  2.15670  2.37907
P   2.97371 -1.53182 -1.01789
C   2.03631 -1.89014 -2.58149
C   4.73439 -1.41053 -1.60327
C   2.93319 -3.16014 -0.12024
H  -0.19276 -0.61137  1.52414
H  -1.79951 -0.32419 -1.87937
H   2.41371 -2.81890 -3.03910
H   2.16387 -1.06056 -3.29218
H   0.96862 -2.00612 -2.34370
H   5.00411 -2.29097 -2.20900
H   5.40684 -1.34997 -0.73360
H   4.85453 -0.49932 -2.20893
H   1.90564 -3.35896  0.21870
H   3.59340 -3.11089  0.75868
H   3.27071 -3.97285 -0.78446
H   3.31106  1.54484 -1.89736
H   1.69772  0.89874 -2.35193
H   1.81634  2.35867 -1.32972
H   0.66529  0.17022 -0.30479
H   0.11533 -1.87551 -0.04864
H  -2.54569  1.53004  0.98275
H  -3.68191  1.63959 -1.88946
H  -4.55224  1.07347 -0.44908
H  -5.19326  3.42009 -1.03688
H  -4.45058  3.34054  0.56922
H  -3.04783  4.22672 -2.03478
H  -3.51171  5.28035 -0.68812
H  -1.05461  4.67812 -0.59806
H  -1.92406  4.10595  0.83767
H  -1.14405  2.41449 -1.62225
H  -0.39671  2.32444 -0.01409
H  -2.36846 -2.45963  0.18124
H  -4.75850 -1.00449 -1.12218
H  -3.65602 -2.12885 -1.94078
H  -5.77585 -3.27238 -1.21682
H  -4.35519 -3.98375 -0.43233
H  -6.30457 -1.95489  0.83980
H  -6.17108 -3.67217  1.25086
H  -4.95141 -2.21144  2.92204
H  -3.85076 -3.33650  2.10725
H  -4.25310 -0.35824  1.41910
H  -2.82769 -1.06838  2.21307
55
CptBu-TS(11''-9')1
C  -1.31404 -2.76606 -0.40413
C  -1.97626 -2.01357 -1.41002
C  -3.00673 -1.23757 -0.74012
C  -3.06388 -1.66114  0.66303
C  -2.00865 -2.56042  0.86506
Rh -1.13159 -0.46385 -0.07386
P  -1.90408  1.70174  0.23445
C  -1.23409  2.55156  1.75683
H  -1.75011 -1.99870 -2.47487
H  -3.74015 -0.60874 -1.24568
H  -3.77749 -1.31725  1.41065
H  -1.73523 -3.02170  1.81549
H  -0.48478 -3.45409 -0.56602
B   0.31833  0.02586 -1.59550
P   1.66050  0.04942 -0.10760
C   2.55245 -1.62424  0.36467
C   1.69742 -2.28445  1.46506
C   2.82286  1.62174 -0.16929
C   1.96397  2.85499 -0.50704
C   3.54471  1.86341  1.17108
C   3.81161  1.37606 -1.33193
C  -1.74464  2.95984 -1.12400
C  -3.73450  1.79411  0.58878
C   2.60198 -2.49460 -0.90972
C   3.98160 -1.44437  0.91887
H   0.53355 -0.89695 -2.34594
H   0.90860  0.29000  1.12529
H   1.23715  3.09388  0.28591
H   1.43408  2.73704 -1.46367
H   2.63917  3.72458 -0.59938
H   4.09957  2.81653  1.09915
H   4.27577  1.08210  1.41593
H   2.83628  1.95932  2.01155
H   3.28412  1.22759 -2.28883
H   4.47554  0.51512 -1.16058
H   4.45528  2.26738 -1.43920
H   2.06233 -3.31275  1.63880
H   0.63284 -2.34587  1.18821
H   1.77055 -1.73473  2.41872
H   3.21764 -2.03386 -1.69998
H   1.60246 -2.67945 -1.33139
H   3.05618 -3.46920 -0.65726
H   4.66896 -0.95689  0.21132
H   4.38891 -2.45199  1.11763
H   3.99760 -0.89812  1.87445
H  -1.64541  3.57129  1.84018
H  -0.13608  2.60468  1.72596
H  -1.52881  1.96514  2.64135
H  -2.22613  3.90432 -0.82262
H  -2.23444  2.56539 -2.02767
H  -0.68790  3.14014 -1.35770
H  -3.98412  1.16308  1.45445
H  -4.31574  1.46034 -0.28372
H  -4.00833  2.83769  0.81445
H   0.29914  1.11961 -2.10952
51
CpPh-TS(11''-9')1
C   2.21788  2.37654  0.99770
C   1.56081  1.97518 -0.18561
C   1.23098  2.92608 -1.17521
C   1.54563  4.27912 -0.96896
C   2.19217  4.68034  0.21134
C   2.53067  3.72968  1.19049
P   1.14726  0.20187 -0.45715
C   2.58100 -0.85854 -0.03439
C   2.70301 -1.43564  1.24781
C   3.81807 -2.23512  1.54387
C   4.80300 -2.45907  0.56771
C   4.67774 -1.88700 -0.71000
C   3.56780 -1.08710 -1.01831
Rh -1.37467 -0.63318 -0.38166
B   0.02681 -0.24306 -1.95716
C  -1.20702 -2.83366 -1.14478
C  -2.47887 -2.44349 -0.60506
C  -2.24393 -2.30506  0.82650
C  -0.97845 -2.97619  1.16138
C  -0.34170 -3.26932 -0.02262
H  -1.01581 -3.05824 -2.19488
H  -3.42494 -2.36377 -1.14159
H  -3.01989 -2.07480  1.56045
H  -0.59914 -3.12719  2.17274
H   0.65641 -3.69237 -0.14564
P  -2.86630  0.93407  0.42265
C  -2.76248  1.40236  2.22125
C  -2.71649  2.56162 -0.46311
C  -4.65560  0.48287  0.19654
H   0.41012 -0.70993 -2.98871
H   0.11149 -0.07143  0.64402
H  -3.45160  3.27923 -0.06285
H  -2.90062  2.40676 -1.53720
H  -1.69997  2.96193 -0.32793
H  -5.30296  1.30630  0.54061
H  -4.89054 -0.42455  0.77377
H  -4.84633  0.28653 -0.86958
H  -1.76079  1.80769  2.43213
H  -2.91936  0.50841  2.84411
H  -3.52443  2.15945  2.47064
H  -1.03432  0.44101 -1.95556
H   1.93176 -1.26766  2.00674
H   3.91574 -2.68402  2.53710
H   5.67018 -3.08403  0.80200
H   5.44446 -2.06509 -1.47001
H   3.47080 -0.64604 -2.01580
H   0.74456  2.60963 -2.10392
H   1.29776  5.01604 -1.73910
H   2.44286  5.73432  0.36537
H   3.04322  4.04154  2.10567
H   2.49771  1.63809  1.75629
37
CpMe-TS(11''-9')1
C   0.89422 -2.59833 -1.08842
C  -0.37505 -2.68726 -0.35809
C  -0.15168 -2.36652  1.00259
C   1.23462 -1.92360  1.10233
C   1.88447 -2.17422 -0.19593
Rh  0.27697 -0.48226 -0.10633
B  -1.10630  0.69018  1.04112
P  -2.64242  0.62109 -0.20383
C  -3.70840  2.14211 -0.11682
H  -1.31809 -3.01785 -0.79644
H  -0.87435 -2.39024  1.81675
H   1.74640 -1.65554  2.02787
H   2.93688 -2.00695 -0.42244
H   1.02498 -2.80689 -2.15092
P   1.62240  1.39496 -0.02841
C   3.29006  1.14582 -0.82110
C   0.94783  2.86248 -0.95483
C   2.05723  2.06434  1.64691
C  -3.79695 -0.80914  0.01749
H  -1.52544  0.14601  2.04556
H  -2.34097  0.56638 -1.60748
H   1.67420  3.69098 -0.91903
H   0.00465  3.18399 -0.49023
H   0.76849  2.58770 -2.00612
H   2.69515  2.95748  1.54612
H   2.60189  1.29274  2.21266
H   1.13513  2.32016  2.18808
H   3.15796  0.79234 -1.85506
H   3.86018  0.39261 -0.25590
H   3.85563  2.09213 -0.82568
H  -0.89064  1.87839  1.19100
H  -4.61028 -0.77172 -0.72259
H  -3.24337 -1.75260 -0.08887
H  -4.21647 -0.75654  1.03404
H  -4.06771  2.25081  0.91817
H  -3.10164  3.02255 -0.37493
H  -4.56242  2.05993 -0.80652
63
CpCy-TS(11''-9')1
C  -0.54023  2.98643 -0.97420
C   0.82446  2.47656 -0.47648
C   1.14838  2.99945  0.94162
C   1.08085  4.54194  0.98470
C  -0.28188  5.06161  0.49529
C  -0.60725  4.52924 -0.91256
P   1.00642  0.59442 -0.59310
C   2.80724  0.20919 -0.16806
C   3.44814 -0.70107 -1.24017
C   4.93809 -0.94886 -0.91780
C   5.13216 -1.51076  0.50259
C   4.48527 -0.59637  1.55931
C   2.99011 -0.35264  1.26217
Rh -1.07930 -1.07499 -0.30410
B   0.10447 -0.37629 -1.98030
C  -0.27685 -3.18865 -0.92829
C   0.72014 -3.26949  0.16284
C   0.07851 -3.08224  1.36785
C  -1.33405 -2.82661  1.07363
C  -1.57982 -3.13731 -0.33380
H   1.78980 -3.41847  0.00566
H  -0.07240 -3.42764 -1.97245
H  -2.52612 -3.39852 -0.80887
H  -2.10986 -2.77325  1.83983
H   0.52983 -3.04120  2.35980
P  -3.09542 -0.13509  0.32162
C  -4.45761 -1.33187  0.74427
C  -3.14034  1.03206  1.77412
C  -3.85191  0.83389 -1.07441
H   0.61924 -0.83729 -2.95581
H   0.09091  0.13793  0.56625
H  -4.81461  1.26819 -0.75772
H  -4.01482  0.15844 -1.92800
H  -3.16823  1.63687 -1.38467
H  -5.39789 -0.77706  0.89540
H  -4.21852 -1.88118  1.66691
H  -4.59024 -2.04909 -0.07956
H  -2.46994  1.88539  1.58929
H  -2.79099  0.49946  2.67235
H  -4.16472  1.40359  1.94386
H  -1.10866 -0.06727 -2.01871
H   3.29324  1.20526 -0.21863
H   2.90832 -1.66654 -1.27101
H   3.34334 -0.25155 -2.24347
H   5.36477 -1.63414 -1.67084
H   5.49177  0.00547 -1.01449
H   4.68141 -2.52120  0.56472
H   6.20744 -1.63771  0.71679
H   4.59220 -1.02970  2.56925
H   5.01503  0.37623  1.57826
H   2.43135 -1.30268  1.34831
H   2.55809  0.33851  2.00860
H   1.60933  2.82421 -1.18019
H   0.41364  2.57785  1.65655
H   2.14584  2.65978  1.27256
H   1.28495  4.88709  2.01328
H   1.88592  4.95854  0.34891
H  -1.07236  4.74176  1.20343
H  -0.29265  6.16517  0.49603
H  -1.60821  4.86491 -1.23617
H   0.11256  4.94849 -1.64179
H  -1.33351  2.55948 -0.32929
H  -0.73452  2.63077 -2.00173
55
CptBu-INT(11''-9')
C  -0.22840 -2.72089  0.65777
C  -0.87314 -2.73614 -0.63746
C  -2.19318 -2.24982 -0.46642
C  -2.38572 -1.94382  0.94576
C  -1.17674 -2.26837  1.63524
Rh -0.78181 -0.53931  0.17654
P  -2.36966  1.15864 -0.26922
C  -2.20293  2.60362 -1.43636
H  -0.42669 -3.05266 -1.57906
H  -2.94252 -2.15945 -1.25121
H  -3.31175 -1.60879  1.41298
H  -0.99895 -2.17494  2.70635
H   0.77566 -3.07902  0.87497
B   0.33225  0.36192 -1.81154
P   1.46332  0.28960 -0.31674
C   2.93514 -0.98726 -0.38160
C   3.28413 -1.57996  1.00046
C   1.99575  1.97396  0.50045
C   2.69094  2.82399 -0.59361
C   0.75306  2.74076  0.98678
C   2.92087  1.76151  1.71730
C  -3.96720  0.45775 -0.93555
C  -2.92860  1.97714  1.30730
C   2.56886 -2.10981 -1.37399
C   4.16932 -0.25287 -0.96557
H   0.33121 -0.54984 -2.59255
H  -0.45853  0.40427  1.37252
H   2.01400  3.02146 -1.44048
H   3.60425  2.35769 -0.98859
H   2.98097  3.79597 -0.15475
H   1.07202  3.74431  1.32109
H   0.26780  2.24230  1.84212
H   0.01273  2.87811  0.18601
H   3.89082  1.31559  1.45306
H   2.44443  1.13844  2.49274
H   3.13355  2.74668  2.17040
H   4.07160 -2.34424  0.87108
H   2.42440 -2.06841  1.48464
H   3.67389 -0.82623  1.69958
H   2.34112 -1.71447 -2.37552
H   1.71877 -2.71881 -1.04092
H   3.43912 -2.78409 -1.46383
H   3.95988  0.18566 -1.95502
H   4.97554 -0.99716 -1.09766
H   4.56410  0.53200 -0.30380
H  -3.10344  3.22767 -1.31040
H  -2.15113  2.23528 -2.47073
H  -1.31180  3.21144 -1.23325
H  -4.70329  1.27313 -1.02619
H  -4.37508 -0.31482 -0.26835
H  -3.78952  0.02563 -1.93214
H  -2.11032  2.58799  1.71606
H  -3.19400  1.20671  2.04674
H  -3.80187  2.62091  1.11331
H  -0.07464  1.43858 -2.13968
51
CpPh-INT(11''-9')
C  -1.24713  2.35941 -1.26492
C  -1.35301  1.92107  0.07238
C  -1.86851  2.79077  1.05900
C  -2.26434  4.09057  0.70616
C  -2.15552  4.52499 -0.62497
C  -1.64938  3.65961 -1.60964
P  -0.91382  0.21177  0.58702
C  -2.38206 -0.86254  0.32772
C  -3.17848 -0.73304 -0.83096
C  -4.29770 -1.56096 -1.00408
C  -4.62795 -2.51712 -0.02867
C  -3.84244 -2.64068  1.12976
C  -2.72180 -1.81618  1.31375
Rh  1.10246 -0.71305 -0.21795
B   0.26700 -0.10862  2.00570
C   0.48068 -2.89525 -0.02740
C   1.78528 -2.79163  0.55955
C   2.68919 -2.36842 -0.47618
C   1.95033 -2.22492 -1.70205
C   0.57527 -2.54910 -1.42489
H  -0.43436 -3.18411  0.48995
H   2.04518 -3.00428  1.59559
H   3.76240 -2.21277 -0.35883
H   2.36192 -1.94144 -2.67053
H  -0.24290 -2.56212 -2.14414
P   2.64040  0.95600  0.28175
C   3.84244  1.16478 -1.12338
C   2.03854  2.68809  0.54400
C   3.74180  0.60724  1.73578
H   0.17635 -1.14358  2.60729
H   0.78775  0.34675 -1.32887
H   2.90431  3.34463  0.72923
H   1.35282  2.73029  1.40139
H   1.50289  3.02498 -0.35605
H   4.50240  1.39990  1.82729
H   4.24059 -0.36247  1.58758
H   3.13697  0.56219  2.65238
H   3.29365  1.47615 -2.02531
H   4.34839  0.20961 -1.32912
H   4.59541  1.92854 -0.86878
H   0.82186  0.84096  2.48711
H  -2.93790  0.02145 -1.58678
H  -4.91557 -1.45464 -1.90109
H  -5.50376 -3.15852 -0.16650
H  -4.10888 -3.37110  1.90002
H  -2.12437 -1.89722  2.22748
H  -1.95947  2.45400  2.09677
H  -2.65898  4.76285  1.47420
H  -2.46639  5.53860 -0.89608
H  -1.56807  3.99575 -2.64809
H  -0.84782  1.68909 -2.03406
37
CpMe-INT(11''-9')
C  -0.16140 -2.44540 -1.16791
C  -1.50454 -2.12696 -0.76391
C  -1.51753 -2.03668  0.67880
C  -0.19564 -2.29045  1.16500
C   0.64289 -2.53431  0.01824
Rh -0.18200 -0.38953 -0.16611
P  -1.65868  1.40443  0.18988
C  -1.47384  2.93565 -0.83146
H  -2.36526 -2.02659 -1.42435
H  -2.38977 -1.83180  1.29940
H   0.11348 -2.31287  2.20929
H   1.70259 -2.79046  0.04817
H   0.18166 -2.60299 -2.19023
P   1.91756  0.59771  0.00860
C   3.05867 -0.04606 -1.31248
B  -0.68655  1.10187  1.75838
C   2.11214  2.43259 -0.18873
C   2.81912  0.22071  1.58793
C  -3.44869  0.94781  0.05194
H  -1.16984  0.37638  2.58259
H  -0.10933  0.35870 -1.54343
H   3.18046  2.68771 -0.09621
H   1.54802  2.96609  0.58950
H   1.75856  2.73418 -1.18651
H   3.84121  0.63124  1.54307
H   2.87042 -0.86923  1.72974
H   2.27628  0.66614  2.43405
H   2.65105  0.21027 -2.30227
H   3.14540 -1.14020 -1.23868
H   4.05870  0.40393 -1.19991
H   0.21870  1.84550  2.01793
H  -3.70144  0.67274 -0.98384
H  -3.67312  0.11016  0.72658
H  -4.05411  1.81834  0.35353
H  -2.17524  3.69575 -0.45081
H  -0.45029  3.32343 -0.75030
H  -1.70540  2.71947 -1.88582
63
CpCy-INT(11''-9')
C   2.03463 -2.44628 -0.89920
C   2.19944 -1.17290 -0.03466
C   3.61609 -0.58218 -0.25223
C   4.69759 -1.63047  0.09707
C   4.52547 -2.92936 -0.70882
C   3.10586 -3.49887 -0.54145
P   0.82107  0.07688 -0.42203
B  -0.31168 -0.22764 -1.87904
Rh -1.37582 -0.54521  0.32417
P  -2.82430  0.96087 -0.69677
C  -3.64762  0.39730 -2.26509
C  -0.77650 -2.59003  1.19071
C  -1.66394 -2.85388  0.08436
C  -2.91870 -2.24815  0.38955
C  -2.82111 -1.62076  1.69367
C  -1.49543 -1.85042  2.19037
H   0.25042 -2.94134  1.28279
H  -1.42295 -3.41396 -0.81837
H  -3.81228 -2.28755 -0.23445
H  -3.62548 -1.11887  2.23033
H  -1.10336 -1.52570  3.15386
C   1.24509  1.85779  0.03595
C   2.21772  2.54151 -0.95728
C   2.36575  4.03955 -0.60960
C   2.81327  4.24076  0.84974
C   1.84709  3.55077  1.83075
C   1.67737  2.04964  1.50743
C  -4.28107  1.29183  0.41936
C  -2.26507  2.69289 -1.06243
H  -0.32381 -1.30800 -2.40118
H  -1.08783  0.73640  1.17311
H  -3.10809  3.25142 -1.50093
H  -1.42544  2.69031 -1.77042
H  -1.96002  3.18031 -0.12357
H  -4.40697  1.13695 -2.56791
H  -4.13514 -0.57332 -2.08884
H  -2.89849  0.28086 -3.05983
H  -3.92271  1.68440  1.38308
H  -4.84203  0.36194  0.59659
H  -4.95160  2.02979 -0.05088
H  -0.71557  0.73873 -2.46854
H   0.25367  2.33499 -0.08692
H   3.21190  2.06325 -0.90809
H   1.85464  2.41704 -1.99286
H   3.08424  4.50659 -1.30580
H   1.39570  4.55041 -0.77128
H   3.83092  3.82334  0.98221
H   2.88589  5.31747  1.08211
H   2.19956  3.66536  2.87087
H   0.85691  4.04633  1.77942
H   2.63801  1.53212  1.68994
H   0.93431  1.59271  2.18702
H   2.09266 -1.42898  1.03742
H   3.72472 -0.27902 -1.31124
H   3.77119  0.31851  0.36373
H   5.69470 -1.19088 -0.08122
H   4.64398 -1.85506  1.18052
H   4.71101 -2.72365 -1.78101
H   5.27797 -3.67459 -0.39776
H   2.96685 -4.39100 -1.17709
H   2.96231 -3.83359  0.50558
H   2.13858 -2.16358 -1.96351
H   1.02470 -2.87627 -0.79653
55
CptBu-TS(11''-6)3
C  -2.88833 -1.47154  0.82754
C  -1.85465 -2.39522  0.43383
C  -1.91093 -2.49020 -0.99832
C  -3.08300 -1.76469 -1.46283
C  -3.68436 -1.14911 -0.35460
Rh -1.35486 -0.38345 -0.35925
P  -1.75892  1.75317  0.54758
C  -1.60510  3.14067 -0.68067
H  -1.16773 -2.91742  1.09633
H  -1.26391 -3.10623 -1.62289
H  -3.39898 -1.67744 -2.50290
H  -4.57100 -0.51574 -0.37102
H  -3.13817 -1.21120  1.85652
B   0.51679 -0.66594 -1.28176
P   1.80625 -0.01421  0.04900
C   2.73060 -1.51345  0.85399
C   3.30726 -1.05995  2.21463
C   3.02580  1.32151 -0.72982
C   2.16415  2.57152 -1.00184
C   4.16553  1.67626  0.24054
C   3.57273  0.77959 -2.06634
C  -3.50244  1.98316  1.16042
C  -0.76263  2.32368  2.01042
C   1.67199 -2.60757  1.10905
C   3.84040 -2.07356 -0.05770
H   0.74667 -1.44625 -2.16906
H   0.25123  0.09836  0.65750
H   1.74200  2.99619 -0.07530
H   1.34248  2.35549 -1.70696
H   2.79463  3.35115 -1.46691
H   4.75712  2.50363 -0.19318
H   4.85690  0.83415  0.40127
H   3.79142  2.01601  1.22093
H   2.76418  0.52734 -2.77307
H   4.20589 -0.11035 -1.93812
H   4.19449  1.56305 -2.53873
H   3.76823 -1.93060  2.71567
H   2.51938 -0.67026  2.88130
H   4.08577 -0.28905  2.11491
H   1.22896 -2.98554  0.17217
H   0.86462 -2.24020  1.76367
H   2.15673 -3.45992  1.61915
H   3.45822 -2.36222 -1.05084
H   4.26305 -2.98082  0.41234
H   4.67350 -1.36553 -0.19292
H  -1.88779  4.09753 -0.21163
H  -2.26967  2.93818 -1.53469
H  -0.57006  3.20450 -1.04462
H  -3.62016  3.00419  1.55899
H  -3.72648  1.25887  1.95754
H  -4.20683  1.83658  0.32828
H   0.31205  2.25703  1.78367
H  -0.97901  1.66459  2.86575
H  -1.02519  3.36193  2.27048
H  -0.40003  0.27408 -1.64712
51
CpPh-TS(11''-6)3
C  -2.50865  2.34719 -0.61912
C  -1.71735  1.62906  0.30448
C  -1.27649  2.25797  1.48916
C  -1.62222  3.59505  1.74447
C  -2.40670  4.30708  0.82160
C  -2.85080  3.68245 -0.35646
P  -1.27822 -0.13902 -0.01872
C  -2.88972 -1.04531 -0.21914
C  -3.94595 -0.84571  0.69679
C  -5.12146 -1.59998  0.57552
C  -5.24580 -2.55776 -0.44650
C  -4.19286 -2.76220 -1.35346
C  -3.01064 -2.01475 -1.23820
B  -0.04521  0.00186 -1.53023
Rh  1.77548  0.02238 -0.49466
P   1.97246 -1.91434  0.81455
C   1.74496 -1.70714  2.64742
C   3.16970  1.38276  0.57588
C   2.17412  2.16676 -0.11403
C   2.37620  1.94844 -1.52137
C   3.57635  1.14959 -1.69549
C   4.06584  0.80841 -0.42002
H   3.31501  1.35335  1.65637
H   1.39928  2.78217  0.34254
H   1.78961  2.39444 -2.32489
H   3.99268  0.83568 -2.65320
H   4.94713  0.20241 -0.20982
C   0.78370 -3.26850  0.36987
C   3.63367 -2.74208  0.68162
H  -0.33954  0.41259 -2.62149
H   0.21270 -0.23019  0.65582
H   0.89987 -4.11939  1.06032
H   0.98490 -3.60064 -0.66014
H  -0.25002 -2.89201  0.43189
H   3.64176 -3.67307  1.27234
H   4.41371 -2.06573  1.06310
H   3.84689 -2.97394 -0.37293
H   0.72751 -1.33797  2.84816
H   2.47143 -0.97179  3.02547
H   1.89578 -2.66836  3.16521
H   0.97960 -0.92148 -1.66867
H  -3.85692 -0.09478  1.48894
H  -5.94418 -1.43802  1.27901
H  -6.16573 -3.14349 -0.53686
H  -4.29251 -3.50101 -2.15491
H  -2.19453 -2.17245 -1.95310
H  -0.67807  1.69838  2.21618
H  -1.28940  4.07588  2.66980
H  -2.67815  5.34779  1.02387
H  -3.46589  4.23529 -1.07324
H  -2.86249  1.86223 -1.53463
37
CpMe-TS(11''-6)3
C  -2.29711 -1.92475 -0.91414
C  -2.81398 -1.02534  0.03927
C  -1.98756 -1.11323  1.23477
C  -1.01508 -2.16004  1.03287
C  -1.15389 -2.60166 -0.32919
Rh -0.49092 -0.43596 -0.26583
B   1.31726 -0.93949 -1.20027
P   2.58260 -0.17011  0.07702
C   4.25815  0.47425 -0.52065
H  -3.66804 -0.36257 -0.09873
H  -2.16758 -0.59261  2.17585
H  -0.32053 -2.54649  1.77775
H  -0.57302 -3.39036 -0.80777
H  -2.66045 -2.06658 -1.93253
P  -0.63307  1.88032  0.09021
C  -0.35261  2.48498  1.82536
C   0.55472  2.88261 -0.92461
C  -2.28983  2.59683 -0.35598
C   3.06142 -1.62000  1.14922
H   1.57475 -1.80654 -1.99344
H   1.11201  0.26281  0.64164
H   0.44021  3.95473 -0.69755
H   0.35896  2.70827 -1.99357
H   1.58614  2.57442 -0.69031
H  -2.27521  3.69185 -0.22883
H  -3.06466  2.16769  0.29723
H  -2.52679  2.35141 -1.40234
H   0.65638  2.19323  2.15513
H  -1.09233  2.02679  2.49959
H  -0.45084  3.58193  1.86966
H   0.33594 -0.12402 -1.72728
H   3.71048 -1.26285  1.96406
H   2.15634 -2.07081  1.58064
H   3.60134 -2.37569  0.55787
H   4.85406  0.80650  0.34348
H   4.78348 -0.33929 -1.04819
H   4.10628  1.31875 -1.20853
63
CpCy-TS(11''-6)3
C  -2.30151  2.46624 -0.85611
C  -1.57843  1.77223  0.32038
C  -2.40026  1.86313  1.62830
C  -2.74198  3.33157  1.96300
C  -3.46901  4.02321  0.79534
C  -2.64967  3.93002 -0.50452
P  -1.08265 -0.02867 -0.03800
C  -2.73746 -0.98221 -0.34029
C  -3.13250 -1.82699  0.88993
C  -4.45751 -2.57898  0.63684
C  -4.38248 -3.44076 -0.63712
C  -3.97776 -2.59689 -1.86005
C  -2.65082 -1.84374 -1.61729
B   0.19246  0.13459 -1.51351
Rh  2.00941  0.13066 -0.44895
P   2.20202 -1.78213  0.88846
C   3.89109 -2.56155  0.84184
C   4.32097  0.85099 -0.43702
C   3.48077  1.43190  0.60106
C   2.48786  2.26226 -0.03655
C   2.62961  2.06764 -1.45407
C   3.79294  1.23066 -1.68655
H   5.18759  0.21075 -0.27301
H   3.66264  1.37891  1.67491
H   1.77330  2.91395  0.46469
H   2.03556  2.55258 -2.22884
H   4.16152  0.92112 -2.66502
C   1.88428 -1.56024  2.70562
C   1.07665 -3.17312  0.40120
H  -0.03372  0.55718 -2.61752
H   0.44353 -0.11675  0.62886
H   1.17744 -4.01424  1.10579
H   1.33454 -3.50829 -0.61505
H   0.03507 -2.81372  0.40929
H   3.89812 -3.48539  1.44360
H   4.63405 -1.85965  1.25043
H   4.15760 -2.79840 -0.19933
H   0.85552 -1.19764  2.85291
H   2.58548 -0.81418  3.11026
H   2.02037 -2.51487  3.23949
H   1.20391 -0.80763 -1.61819
H  -3.49268 -0.18537 -0.49114
H  -2.33071 -2.56459  1.09640
H  -3.21501 -1.19328  1.79098
H  -4.70235 -3.20171  1.51548
H  -5.27847 -1.84230  0.53657
H  -3.64008 -4.25006 -0.48865
H  -5.35153 -3.93682 -0.82002
H  -3.88177 -3.23193 -2.75858
H  -4.77524 -1.86069 -2.08032
H  -1.83161 -2.58338 -1.50622
H  -2.39906 -1.21752 -2.49189
H  -0.60482  2.27552  0.48370
H  -3.34391  1.29506  1.51018
H  -1.84902  1.39580  2.46468
H  -3.35612  3.36584  2.88020
H  -1.80615  3.87904  2.19197
H  -4.45530  3.54240  0.64206
H  -3.67238  5.07934  1.04417
H  -3.19908  4.38885 -1.34536
H  -1.71181  4.50927 -0.39006
H  -3.23888  1.92367 -1.08838
H  -1.68167  2.42618 -1.76932
55
CptBu-6
C   0.95118 -1.80664  1.80219
C   2.25679 -1.69822  1.21536
C   2.26688 -2.40652 -0.04620
C   0.95611 -2.94662 -0.24159
C   0.14793 -2.58131  0.88587
Rh  0.80876 -0.63075 -0.11492
P   2.35642  1.14792 -0.22488
C   2.17073  2.56243 -1.42040
H   3.11495 -1.20987  1.67839
H   3.12210 -2.53623 -0.70827
H   0.62560 -3.52604 -1.10411
H  -0.88523 -2.87868  1.04903
H   0.64399 -1.42986  2.77666
B  -0.51323  0.37892 -1.95712
P  -1.42777  0.29327 -0.27367
C  -1.91906  1.97867  0.57019
C  -0.64184  2.62076  1.13635
C  -2.93772 -0.94383 -0.34383
C  -2.58402 -2.13164 -1.26556
C  -3.37417 -1.47096  1.04151
C  -4.11096 -0.17974 -1.01030
C   2.85361  1.97317  1.37049
C   3.98650  0.46621 -0.82916
C  -2.52493  2.90715 -0.50945
C  -2.90481  1.78683  1.74149
H  -0.12134  1.47321 -2.26564
H   0.69276 -0.32451 -1.77211
H  -1.74472 -2.73642 -0.89453
H  -2.34490 -1.80540 -2.28839
H  -3.46667 -2.79361 -1.32018
H  -4.17072 -2.22329  0.89921
H  -3.78477 -0.68515  1.69052
H  -2.55597 -1.96146  1.59226
H  -3.83322  0.21485 -2.00144
H  -4.49468  0.64679 -0.39359
H  -4.94650 -0.88862 -1.15601
H  -0.89997  3.60108  1.57651
H   0.10611  2.79991  0.35134
H  -0.18982  1.99683  1.92417
H  -3.45598  2.50919 -0.93987
H  -1.81842  3.08844 -1.33497
H  -2.76499  3.88151 -0.04529
H  -3.89163  1.42232  1.42079
H  -3.06717  2.76918  2.22096
H  -2.50752  1.10617  2.51242
H   3.05098  3.21623 -1.30607
H   1.25727  3.14609 -1.24586
H   2.13956  2.16362 -2.44499
H   3.72713  2.62081  1.18922
H   3.11942  1.21128  2.11889
H   2.02685  2.57970  1.76440
H   3.83657 -0.00081 -1.81457
H   4.38054 -0.28743 -0.13196
H   4.72007  1.28382 -0.92214
H  -0.93090 -0.35109 -2.82152
51
CpPh-6
C  -1.39996  2.90785 -1.18127
C  -1.11153  1.96544 -0.16909
C  -1.04299  2.38387  1.17874
C  -1.26297  3.73081  1.50897
C  -1.54471  4.66607  0.49837
C  -1.61239  4.25457 -0.84285
P  -0.88553  0.20133 -0.63992
C  -2.44889 -0.68349 -0.22905
C  -3.26985 -0.26652  0.84111
C  -4.46051 -0.95456  1.12099
C  -4.84058 -2.05863  0.34112
C  -4.03044 -2.47107 -0.73091
C  -2.83941 -1.78907 -1.01973
Rh  1.10996 -0.96182 -0.18148
B   0.01196 -0.25156 -2.27224
C   2.07267 -2.04919  1.52162
C   2.48355 -2.72702  0.31056
C   1.29899 -3.24605 -0.30800
C   0.16776 -2.90830  0.50975
C   0.64711 -2.17400  1.65726
H   2.73744 -1.57299  2.24334
H   3.50351 -2.84216 -0.05371
H   1.25837 -3.78302 -1.25648
H  -0.87107 -3.16748  0.30717
H   0.04346 -1.80749  2.48666
P   2.53509  0.87654 -0.02183
C   4.31057  0.36136 -0.23832
C   2.36735  2.24530 -1.25931
C   2.54309  1.75658  1.61397
H   0.44237  0.70310 -2.86970
H   1.26299 -0.73696 -1.85859
H   3.14818  2.99810 -1.06341
H   1.37590  2.71426 -1.17960
H   2.49164  1.83935 -2.27412
H   3.32325  2.53573  1.61722
H   2.74095  1.03949  2.42517
H   1.56012  2.22253  1.77615
H   4.42953 -0.12613 -1.21798
H   4.59936 -0.34831  0.55179
H   4.96865  1.24440 -0.18643
H  -0.45830 -1.17708 -2.88232
H  -2.99631  0.60522  1.44249
H  -5.09489 -0.62027  1.94775
H  -5.77213 -2.58943  0.55983
H  -4.33324 -3.31723 -1.35560
H  -2.22582 -2.09639 -1.87204
H  -0.82063  1.65622  1.96723
H  -1.21537  4.04972  2.55499
H  -1.71392  5.71571  0.75739
H  -1.83591  4.98077 -1.63049
H  -1.46078  2.58826 -2.22637
37
CpMe-6
C  -1.46914 -1.62444  1.27225
C  -0.12497 -2.12364  1.26120
C   0.13183 -2.69882 -0.05046
C  -1.04156 -2.51907 -0.83998
C  -2.03069 -1.84074 -0.03947
Rh -0.24921 -0.45011 -0.21767
P   1.93708  0.32110  0.04772
C   2.36280  1.02426  1.71593
P  -1.31555  1.62763 -0.09098
B  -0.95787  1.20441 -1.92036
C  -0.58878  3.12468  0.72836
C  -3.06964  1.58210  0.50576
C   3.20106 -1.02834 -0.15802
C   2.53046  1.59599 -1.16206
H   0.55225 -2.14247  2.11530
H   1.04475 -3.20150 -0.36667
H  -1.16398 -2.81573 -1.88228
H  -3.04168 -1.59103 -0.36014
H  -1.97334 -1.16868  2.12402
H  -0.13003  1.90527 -2.44729
H  -0.12046  0.07095 -1.82684
H   3.56564  1.88370 -0.91677
H   1.88700  2.48675 -1.14343
H   2.49581  1.16988 -2.17625
H   3.42970  1.30011  1.74922
H   2.15753  0.27079  2.49192
H   1.74940  1.91386  1.91954
H   3.09025 -1.48689 -1.15228
H   3.06144 -1.79919  0.61494
H   4.21452 -0.60492 -0.06258
H  -1.91530  0.80776 -2.53309
H  -3.54204  2.55370  0.28586
H  -3.61475  0.79433 -0.03301
H  -3.11628  1.39679  1.58999
H  -1.19614  4.00138  0.44765
H  -0.60247  3.01516  1.82420
H   0.44081  3.29022  0.38237
63
CpCy-6
C   1.25853 -2.16512  1.64783
C   2.63833 -1.92535  1.32798
C   2.93540 -2.54447  0.05460
C   1.72612 -3.15494 -0.41391
C   0.69560 -2.92735  0.55684
Rh  1.38233 -0.88355 -0.20768
P   2.71303  1.02932 -0.12515
C   2.99497  1.75612  1.56428
P  -0.78828  0.03723 -0.53993
B   0.11101 -0.18836 -2.21739
C  -1.50611  1.68644  0.07565
C  -2.18175 -1.21623 -0.31030
C   4.44226  0.64019 -0.69515
C   2.29758  2.48664 -1.19518
H   3.35472 -1.41247  1.97050
H   3.90442 -2.57459 -0.44188
H   1.60251 -3.68336 -1.35997
H  -0.32437 -3.30344  0.49973
H   0.75138 -1.87417  2.56672
H   0.44414  0.81723 -2.79291
H   1.41122 -0.60847 -1.87708
H   3.09028  3.24537 -1.08941
H   1.33257  2.92557 -0.90538
H   2.23579  2.15924 -2.24342
H   3.61526  2.66411  1.48613
H   3.51537  1.02104  2.19708
H   2.03144  2.00296  2.03111
H   4.40719  0.26657 -1.72991
H   4.88997 -0.13186 -0.05153
H   5.06548  1.54883 -0.65500
H  -0.28750 -1.13916 -2.84450
C  -3.39757 -0.84303 -1.19903
H  -1.74391 -2.14772 -0.71804
C  -4.50386 -1.91642 -1.08624
H  -3.81289  0.13190 -0.87673
H  -3.07983 -0.72879 -2.25019
C  -4.92796 -2.14551  0.37526
H  -5.36944 -1.61136 -1.70017
H  -4.13260 -2.86609 -1.51861
C  -3.71851 -2.50936  1.25599
H  -5.40266 -1.22533  0.76916
H  -5.69231 -2.93983  0.43164
C  -2.60565 -1.44251  1.15728
H  -4.02484 -2.62783  2.31024
H  -3.31329 -3.48974  0.93475
H  -2.98410 -0.49260  1.58398
H  -1.73500 -1.73217  1.77330
C  -1.75326  2.68299 -1.08224
H  -2.49444  1.36279  0.45896
C  -2.49108  3.93910 -0.56696
H  -0.78698  2.97691 -1.53400
H  -2.33432  2.20102 -1.88787
C  -1.75248  4.59737  0.61204
H  -2.61675  4.65541 -1.39785
H  -3.51160  3.65204 -0.24579
C  -1.51474  3.59196  1.75415
H  -0.77771  4.99203  0.26173
H  -2.32374  5.46623  0.98213
C  -0.75776  2.34203  1.25359
H  -0.94987  4.06284  2.57824
H  -2.48809  3.28004  2.18057
H   0.25066  2.65106  0.92145
H  -0.61586  1.61341  2.07233
