56
(1)
C     0.5503752   -1.6457311    0.0000000 
N    -0.6099759   -1.6295186    0.0000000 
Re    2.6644135   -1.8969565    0.0000000 
C     4.6296195   -2.1647537    0.0000000 
C     2.4704204   -3.2669687   -1.3631755 
C     2.4704204   -3.2669687    1.3631755 
N     2.8331458   -0.1460922   -1.3240334 
N     2.8331458   -0.1460922    1.3240334 
O     5.7576192   -2.3416378    0.0000000 
O     2.3493468   -4.0451580   -2.1946154 
O     2.3493468   -4.0451580    2.1946154 
C     2.8389315   -0.2208018   -2.6594248 
C     2.9590245    1.0610545   -0.7357340 
C     2.9590245    1.0610545    0.7357340 
C     2.8389315   -0.2208018    2.6594248 
C     2.9741617    0.8894171   -3.4702637 
H     2.7379442   -1.2115784   -3.0824973 
C     3.0965006    2.2175828   -1.4956769 
C     3.0965006    2.2175828    1.4956769 
C     2.9741617    0.8894171    3.4702637 
H     2.7379442   -1.2115784    3.0824973 
C     3.1067795    2.1337339   -2.8756562 
H     2.9819695    0.7695761   -4.5460142 
H     3.2044516    3.1802005   -1.0154605 
C     3.1067795    2.1337339    2.8756562 
H     3.2044516    3.1802005    1.0154605 
H     2.9819695    0.7695761    4.5460142 
H     3.2226632    3.0274601   -3.4770925 
H     3.2226632    3.0274601    3.4770925 
Re   -2.7328294   -1.9567885    0.0000000 
C    -4.6622918   -2.2025294    0.0000000 
C    -2.5648037   -3.3339892    1.3575535 
C    -2.5648037   -3.3339892   -1.3575535 
N    -2.8524068   -0.2049777    1.3249239 
N    -2.8524068   -0.2049777   -1.3249239 
O    -5.7989566   -2.3436337    0.0000000 
O    -2.4638716   -4.1194378    2.1850113 
O    -2.4638716   -4.1194378   -2.1850113 
C    -2.8631886   -0.2804817    2.6595838 
C    -2.9284954    1.0056655    0.7362682 
C    -2.9284954    1.0056655   -0.7362682 
C    -2.8631886   -0.2804817   -2.6595838 
C    -2.9555333    0.8341734    3.4710222 
H    -2.8030901   -1.2748173    3.0821876 
C    -3.0227191    2.1664119    1.4957389 
C    -3.0227191    2.1664119   -1.4957389 
C    -2.9555333    0.8341734   -3.4710222 
H    -2.8030901   -1.2748173   -3.0821876 
C    -3.0378817    2.0823421    2.8760536 
H    -2.9698135    0.7148017    4.5467448 
H    -3.0927240    3.1327495    1.0159582 
C    -3.0378817    2.0823421   -2.8760536 
H    -3.0927240    3.1327495   -1.0159582 
H    -2.9698135    0.7148017   -4.5467448 
H    -3.1197984    2.9799083    3.4774293 
H    -3.1197984    2.9799083   -3.4774293 
60
(2)
C     0.5471021   -1.9839464    0.0000000 
N    -0.6132520   -1.9702283    0.0000000 
Re   -2.7344330   -2.3054190    0.0000000 
C    -4.6627914   -2.5571282    0.0000000 
C    -2.5627517   -3.6759496    1.3625557 
C    -2.5627517   -3.6759496   -1.3625557 
N    -2.8595712   -0.5587091    1.3422779 
N    -2.8595712   -0.5587091   -1.3422779 
O    -5.7990346   -2.7027758    0.0000000 
O    -2.4587044   -4.4599533    2.1910101 
O    -2.4587044   -4.4599533   -2.1910101 
C    -2.8710703   -0.5800896    2.6667140 
C    -2.9466607    0.6393732    0.7141388 
C    -2.9466607    0.6393732   -0.7141388 
C    -2.8710703   -0.5800896   -2.6667140 
C    -2.9743242    0.5788838    3.4393389 
H    -2.8036855   -1.5539096    3.1352337 
C    -3.0555638    1.8550236    1.4127992 
C    -3.0555638    1.8550236   -1.4127992 
C    -2.9743242    0.5788838   -3.4393389 
H    -2.8036855   -1.5539096   -3.1352337 
C    -3.0674966    1.7981653    2.8159622 
H    -2.9872863    0.4944013    4.5184915 
C    -3.1588474    3.0749744    0.6771511 
C    -3.0674966    1.7981653   -2.8159622 
C    -3.1588474    3.0749744   -0.6771511 
H    -2.9872863    0.4944013   -4.5184915 
H    -3.1577393    2.7132375    3.3910044 
H    -3.2488976    4.0044480    1.2280833 
H    -3.1577393    2.7132375   -3.3910044 
H    -3.2488976    4.0044480   -1.2280833 
Re    2.6606942   -2.2380739    0.0000000 
C     4.6249688   -2.5095043    0.0000000 
C     2.4645924   -3.6016037   -1.3683166 
C     2.4645924   -3.6016037    1.3683166 
N     2.8323173   -0.4930282   -1.3414313 
N     2.8323173   -0.4930282    1.3414313 
O     5.7525234   -2.6901464    0.0000000 
O     2.3414203   -4.3783348   -2.2008134 
O     2.3414203   -4.3783348    2.2008134 
C     2.8434441   -0.5140725   -2.6664596 
C     2.9616999    0.7020152   -0.7137801 
C     2.9616999    0.7020152    0.7137801 
C     2.8434441   -0.5140725    2.6664596 
C     2.9863804    0.6405306   -3.4386440 
H     2.7417037   -1.4846915   -3.1353232 
C     3.1111100    1.9133403   -1.4129759 
C     3.1111100    1.9133403    1.4129759 
C     2.9863804    0.6405306    3.4386440 
H     2.7417037   -1.4846915    3.1353232 
C     3.1211323    1.8564268   -2.8158424 
H     2.9963621    0.5552965   -4.5177822 
C     3.2533891    3.1292102   -0.6771107 
C     3.1211323    1.8564268    2.8158424 
C     3.2533891    3.1292102    0.6771107 
H     2.9963621    0.5552965    4.5177822 
H     3.2418858    2.7678043   -3.3910748 
H     3.3692727    4.0558221   -1.2280138 
H     3.2418858    2.7678043    3.3910748 
H     3.3692727    4.0558221    1.2280138 
124
(3)
C    -0.5026337    0.0908941    0.0000000 
N     0.6352081    0.3222734    0.0000000 
Re    2.7359518    0.6086057    0.0000000 
C     2.6433591    1.9456679    1.3674271 
C     2.6433591    1.9456679   -1.3674271 
N     2.6762187   -1.1430337    1.3392077 
N     2.6762187   -1.1430337   -1.3392077 
O     2.5520287    2.7167424    2.2243798 
O     2.5520287    2.7167424   -2.2243798 
C     2.6975928   -1.1258514    2.6634619 
C     2.4997177   -2.3330552    0.7138096 
C     2.4997177   -2.3330552   -0.7138096 
C     2.6975928   -1.1258514   -2.6634619 
C     2.5369564   -2.2772606    3.4368376 
H     2.8482229   -0.1606456    3.1301795 
C     2.3330529   -3.5415229    1.4133415 
C     2.3330529   -3.5415229   -1.4133415 
C     2.5369564   -2.2772606   -3.4368376 
H     2.8482229   -0.1606456   -3.1301795 
C     2.3507477   -3.4869419    2.8160690 
H     2.5618113   -2.1954767    4.5158636 
C     2.1537452   -4.7522376    0.6772093 
C     2.3507477   -3.4869419   -2.8160690 
C     2.1537452   -4.7522376   -0.6772093 
H     2.5618113   -2.1954767   -4.5158636 
H     2.2171829   -4.3961616    3.3918310 
H     2.0169369   -5.6759780    1.2283087 
H     2.2171829   -4.3961616   -3.3918310 
H     2.0169369   -5.6759780   -1.2283087 
Re   -2.5400186   -0.3408891    0.0000000 
C    -2.2542110   -1.6542383    1.3686331 
C    -2.2542110   -1.6542383   -1.3686331 
N    -2.7579279    1.3986493    1.3373192 
N    -2.7579279    1.3986493   -1.3373192 
O    -2.0436176   -2.4070880    2.2202031 
O    -2.0436176   -2.4070880   -2.2202031 
C    -2.7684224    1.3787481    2.6624620 
C    -2.8228775    2.6014279    0.7131972 
C    -2.8228775    2.6014279   -0.7131972 
C    -2.7684224    1.3787481   -2.6624620 
C    -2.8340878    2.5391314    3.4357702 
H    -2.7221516    0.4034316    3.1297612 
C    -2.8941235    3.8190014    1.4135766 
C    -2.8941235    3.8190014   -1.4135766 
C    -2.8340878    2.5391314   -3.4357702 
H    -2.7221516    0.4034316   -3.1297612 
C    -2.8953884    3.7622793    2.8161732 
H    -2.8365161    2.4534787    4.5147855 
C    -2.9598393    5.0410423    0.6772481 
C    -2.8953884    3.7622793   -2.8161732 
C    -2.9598393    5.0410423   -0.6772481 
H    -2.8365161    2.4534787   -4.5147855 
H    -2.9436571    4.6795847    3.3925502 
H    -3.0078970    5.9737567    1.2280936 
H    -2.9436571    4.6795847   -3.3925502 
H    -3.0078970    5.9737567   -1.2280936 
P     5.1424467    0.6970510    0.0000000 
C     5.8985455   -0.0680948   -1.5147784 
C     5.8985455   -0.0680948    1.5147784 
C     5.9927700    2.3341478    0.0000000 
C     6.0490281   -1.4417649   -1.7028768 
C     6.1886965    0.7778622   -2.5880752 
C     6.0490281   -1.4417649    1.7028768 
C     6.1886965    0.7778622    2.5880752 
C     5.2830210    3.5280312    0.0000000 
C     7.3897846    2.3713310    0.0000000 
C     6.5181691   -1.9501085   -2.9064334 
H     5.8008569   -2.1426258   -0.9191329 
C     6.6442986    0.2685971   -3.7955676 
H     6.0682342    1.8492556   -2.4812600 
C     6.5181691   -1.9501085    2.9064334 
H     5.8008569   -2.1426258    0.9191329 
C     6.6442986    0.2685971    3.7955676 
H     6.0682342    1.8492556    2.4812600 
C     5.9560540    4.7450978    0.0000000 
H     4.2013911    3.5140551    0.0000000 
C     8.0585220    3.5830304    0.0000000 
H     7.9563124    1.4462426    0.0000000 
C     6.8209710   -1.0976859   -3.9573415 
H     6.6464588   -3.0210235   -3.0191200 
H     6.8705475    0.9484875   -4.6093493 
C     6.8209710   -1.0976859    3.9573415 
H     6.6464588   -3.0210235    3.0191200 
H     6.8705475    0.9484875    4.6093493 
C     7.3408240    4.7745076    0.0000000 
H     5.3905480    5.6698990    0.0000000 
H     9.1425520    3.6000885    0.0000000 
H     7.1905610   -1.4951542   -4.8957831 
H     7.1905610   -1.4951542    4.8957831 
H     7.8651487    5.7235080    0.0000000 
P    -4.9722638   -0.7392077    0.0000000 
C    -5.8205498   -0.0839908   -1.5150603 
C    -5.8205498   -0.0839908    1.5150603 
C    -5.5820904   -2.4791264    0.0000000 
C    -6.1595463    1.2558107   -1.7025460 
C    -5.9914166   -0.9622927   -2.5880917 
C    -6.1595463    1.2558107    1.7025460 
C    -5.9914166   -0.9622927    2.5880917 
C    -4.7075900   -3.5583124    0.0000000 
C    -6.9594208   -2.7166949    0.0000000 
C    -6.6962494    1.6937174   -2.9056105 
H    -6.0114778    1.9844499   -0.9188802 
C    -6.5154643   -0.5211925   -3.7944512 
H    -5.7237054   -2.0066762   -2.4815926 
C    -6.6962494    1.6937174    2.9056105 
H    -6.0114778    1.9844499    0.9188802 
C    -6.5154643   -0.5211925    3.7944512 
H    -5.7237054   -2.0066762    2.4815926 
C    -5.1983205   -4.8595095    0.0000000 
H    -3.6393533   -3.3870636    0.0000000 
C    -7.4462908   -4.0122501    0.0000000 
H    -7.6533094   -1.8829442    0.0000000 
C    -6.8803054    0.8073441   -3.9557807 
H    -6.9718574    2.7364878   -3.0179850 
H    -6.6473853   -1.2261123   -4.6076810 
C    -6.8803054    0.8073441    3.9557807 
H    -6.9718574    2.7364878    3.0179850 
H    -6.6473853   -1.2261123    4.6076810 
C    -6.5644485   -5.0878714    0.0000000 
H    -4.5058229   -5.6934783    0.0000000 
H    -8.5165121   -4.1854497    0.0000000 
H    -7.3031131    1.1494953   -4.8935125 
H    -7.3031131    1.1494953    4.8935125 
H    -6.9467651   -6.1024383    0.0000000 
66
(4)
Au    0.8160518   -0.5707255    0.0000000 
C    -1.1792931   -0.8953669    0.0000000 
N    -2.3021669   -1.1674539    0.0000000 
Re   -4.3432774   -1.8217031    0.0000000 
C    -6.2176292   -2.3448360    0.0000000 
C    -3.9743538   -3.1543914    1.3609482 
C    -3.9743538   -3.1543914   -1.3609482 
N    -4.6979087   -0.1076973    1.3431674 
N    -4.6979087   -0.1076973   -1.3431674 
O    -7.3204078   -2.6518773    0.0000000 
O    -3.7518322   -3.9188984    2.1845888 
O    -3.7518322   -3.9188984   -2.1845888 
C    -4.7056132   -0.1296967    2.6676230 
C    -4.9115186    1.0740471    0.7140603 
C    -4.9115186    1.0740471   -0.7140603 
C    -4.7056132   -0.1296967   -2.6676230 
C    -4.9271679    1.0126038    3.4397841 
H    -4.5330124   -1.0900011    3.1369896 
C    -5.1435844    2.2721946    1.4124990 
C    -5.1435844    2.2721946   -1.4124990 
C    -4.9271679    1.0126038   -3.4397841 
H    -4.5330124   -1.0900011   -3.1369896 
C    -5.1457339    2.2151703    2.8157327 
H    -4.9248405    0.9290194    4.5189829 
C    -5.3680003    3.4756730    0.6770903 
C    -5.1457339    2.2151703   -2.8157327 
C    -5.3680003    3.4756730   -0.6770903 
H    -4.9248405    0.9290194   -4.5189829 
H    -5.3232029    3.1173976    3.3906396 
H    -5.5446925    4.3924265    1.2281865 
H    -5.3232029    3.1173976   -3.3906396 
H    -5.5446925    4.3924265   -1.2281865 
P     3.1436429   -0.3425399    0.0000000 
C     3.8464789   -1.1664429   -1.4851130 
C     3.8464789   -1.1664429    1.4851130 
C     3.7388349    1.3787398    0.0000000 
C     3.4582083   -2.4798279   -1.7552490 
C     4.6971605   -0.5128895   -2.3725379 
C     3.4582083   -2.4798279    1.7552490 
C     4.6971605   -0.5128895    2.3725379 
C     2.8093522    2.4163163    0.0000000 
C     5.1038500    1.6809046    0.0000000 
C     3.9467386   -3.1398146   -2.8705679 
H     2.7597581   -2.9934849   -1.1046909 
C     5.1778361   -1.1764645   -3.4936768 
H     4.9819939    0.5177559   -2.2060251 
C     3.9467386   -3.1398146    2.8705679 
H     2.7597581   -2.9934849    1.1046909 
C     5.1778361   -1.1764645    3.4936768 
H     4.9819939    0.5177559    2.2060251 
C     3.2351133    3.7371679    0.0000000 
H     1.7484639    2.1898021    0.0000000 
C     5.5238720    3.0014265    0.0000000 
H     5.8423433    0.8869738    0.0000000 
C     4.8118618   -2.4901560   -3.7409113 
H     3.6410347   -4.1610867   -3.0663063 
H     5.8400363   -0.6576400   -4.1772606 
C     4.8118618   -2.4901560    3.7409113 
H     3.6410347   -4.1610867    3.0663063 
H     5.8400363   -0.6576400    4.1772606 
C     4.5902765    4.0303363    0.0000000 
H     2.5047675    4.5379183    0.0000000 
H     6.5839177    3.2275750    0.0000000 
H     5.1903151   -3.0052278   -4.6162533 
H     5.1903151   -3.0052278    4.6162533 
H     4.9223670    5.0622050    0.0000000 
59
(5)
Au   -0.0000000    0.0000000    0.0000000 
C     0.3896432    1.9617101    0.0000000 
C    -0.3896432   -1.9617101    0.0000000 
N     0.6331812    3.0910921    0.0000000 
N    -0.6331812   -3.0910921    0.0000000 
Re    1.1423818    5.1698466    0.0000000 
C     1.5131581    7.0803257    0.0000000 
C     2.5050666    4.9063028   -1.3561307 
C     2.5050666    4.9063028    1.3561307 
N    -0.6010327    5.3829020   -1.3259383 
N    -0.6010327    5.3829020    1.3259383 
O     1.7279551    8.2050054    0.0000000 
O     3.2850057    4.7464942   -2.1802229 
O     3.2850057    4.7464942    2.1802229 
C    -0.5261676    5.3893853   -2.6604540 
C    -1.8095539    5.4815734   -0.7362634 
C    -1.8095539    5.4815734    0.7362634 
C    -0.5261676    5.3893853    2.6604540 
C    -1.6398615    5.4961651   -3.4711591 
H     0.4662201    5.3084643   -3.0839862 
C    -2.9690288    5.5910785   -1.4949686 
C    -2.9690288    5.5910785    1.4949686 
C    -1.6398615    5.4961651    3.4711591 
H     0.4662201    5.3084643    3.0839862 
C    -2.8858534    5.5980222   -2.8753097 
H    -1.5221074    5.4992183   -4.5470484 
H    -3.9343509    5.6712726   -1.0150551 
C    -2.8858534    5.5980222    2.8753097 
H    -3.9343509    5.6712726    1.0150551 
H    -1.5221074    5.4992183    4.5470484 
H    -3.7833508    5.6840634   -3.4760693 
H    -3.7833508    5.6840634    3.4760693 
Re   -1.1423818   -5.1698466    0.0000000 
C    -1.5131581   -7.0803257    0.0000000 
C    -2.5050666   -4.9063028   -1.3561307 
C    -2.5050666   -4.9063028    1.3561307 
N     0.6010327   -5.3829020   -1.3259383 
N     0.6010327   -5.3829020    1.3259383 
O    -1.7279551   -8.2050054    0.0000000 
O    -3.2850057   -4.7464942   -2.1802229 
O    -3.2850057   -4.7464942    2.1802229 
C     0.5261676   -5.3893853   -2.6604540 
C     1.8095539   -5.4815734   -0.7362634 
C     1.8095539   -5.4815734    0.7362634 
C     0.5261676   -5.3893853    2.6604540 
C     1.6398615   -5.4961651   -3.4711591 
H    -0.4662201   -5.3084643   -3.0839862 
C     2.9690288   -5.5910785   -1.4949686 
C     2.9690288   -5.5910785    1.4949686 
C     1.6398615   -5.4961651    3.4711591 
H    -0.4662201   -5.3084643    3.0839862 
C     2.8858534   -5.5980222   -2.8753097 
H     1.5221074   -5.4992183   -4.5470484 
H     3.9343509   -5.6712726   -1.0150551 
C     2.8858534   -5.5980222    2.8753097 
H     3.9343509   -5.6712726    1.0150551 
H     1.5221074   -5.4992183    4.5470484 
H     3.7833508   -5.6840634   -3.4760693 
H     3.7833508   -5.6840634    3.4760693 
63
(6)
Au    0.0000000    0.0000000    0.0000000 
C     0.5051804    1.9350861    0.0000000 
C    -0.5051804   -1.9350861    0.0000000 
N     0.8160295    3.0477971    0.0000000 
N    -0.8160295   -3.0477971    0.0000000 
Re    1.4520572    5.0910952    0.0000000 
C     1.9367433    6.9756488    0.0000000 
C     2.7909810    4.7474002   -1.3605548 
C     2.7909810    4.7474002    1.3605548 
N    -0.2700971    5.4093445   -1.3432013 
N    -0.2700971    5.4093445    1.3432013 
O     2.2183826    8.0855914    0.0000000 
O     3.5597880    4.5411298   -2.1848037 
O     3.5597880    4.5411298    2.1848037 
C    -0.2490861    5.4134331   -2.6675339 
C    -1.4567586    5.5924044   -0.7140348 
C    -1.4567586    5.5924044    0.7140348 
C    -0.2490861    5.4134331    2.6675339 
C    -1.3973654    5.6016428   -3.4396222 
H     0.7152094    5.2645013   -3.1367953 
C    -2.6610362    5.7909217   -1.4123031 
C    -2.6610362    5.7909217    1.4123031 
C    -1.3973654    5.6016428    3.4396222 
H     0.7152094    5.2645013    3.1367953 
C    -2.6049181    5.7902791   -2.8154740 
H    -1.3147091    5.5968339   -4.5188732 
C    -3.8700723    5.9833287   -0.6770468 
C    -2.6049181    5.7902791    2.8154740 
C    -3.8700723    5.9833287    0.6770468 
H    -1.3147091    5.5968339    4.5188732 
H    -3.5122200    5.9405385   -3.3901299 
H    -4.7915495    6.1331186   -1.2281926 
H    -3.5122200    5.9405385    3.3901299 
H    -4.7915495    6.1331186    1.2281926 
Re   -1.4520572   -5.0910952    0.0000000 
C    -1.9367433   -6.9756488    0.0000000 
C    -2.7909810   -4.7474002   -1.3605548 
C    -2.7909810   -4.7474002    1.3605548 
N     0.2700971   -5.4093445   -1.3432013 
N     0.2700971   -5.4093445    1.3432013 
O    -2.2183826   -8.0855914    0.0000000 
O    -3.5597880   -4.5411298   -2.1848037 
O    -3.5597880   -4.5411298    2.1848037 
C     0.2490861   -5.4134331   -2.6675339 
C     1.4567586   -5.5924044   -0.7140348 
C     1.4567586   -5.5924044    0.7140348 
C     0.2490861   -5.4134331    2.6675339 
C     1.3973654   -5.6016428   -3.4396222 
H    -0.7152094   -5.2645013   -3.1367953 
C     2.6610362   -5.7909217   -1.4123031 
C     2.6610362   -5.7909217    1.4123031 
C     1.3973654   -5.6016428    3.4396222 
H    -0.7152094   -5.2645013    3.1367953 
C     2.6049181   -5.7902791   -2.8154740 
H     1.3147091   -5.5968339   -4.5188732 
C     3.8700723   -5.9833287   -0.6770468 
C     2.6049181   -5.7902791    2.8154740 
C     3.8700723   -5.9833287    0.6770468 
H     1.3147091   -5.5968339    4.5188732 
H     3.5122200   -5.9405385   -3.3901299 
H     4.7915495   -6.1331186   -1.2281926 
H     3.5122200   -5.9405385    3.3901299 
H     4.7915495   -6.1331186    1.2281926 
117
(7)
Pt    0.0000000    0.0000000    0.0000000 
C     0.9715004    1.7527855    0.0000000 
C    -0.9715004   -1.7527855    0.0000000 
C    -1.7527855    0.9715004    0.0000000 
C     1.7527855   -0.9715004    0.0000000 
N     2.7824276   -1.4960296    0.0000000 
N    -1.4960296   -2.7824276    0.0000000 
N    -2.7824276    1.4960296    0.0000000 
N     1.4960296    2.7824276    0.0000000 
Re    4.7921710   -2.2612671    0.0000000 
C     6.5891360   -3.0149792    0.0000000 
C     5.3325409   -0.9878351    1.3511452 
C     5.3325409   -0.9878351   -1.3511452 
N     4.0435698   -3.8502812    1.3268737 
N     4.0435698   -3.8502812   -1.3268737 
O     7.6454269   -3.4530947    0.0000000 
O     5.6481150   -0.2444886    2.1689878 
O     5.6481150   -0.2444886   -2.1689878 
C     4.0774017   -3.7854310    2.6613991 
C     3.5546889   -4.9601500    0.7362391 
C     3.5546889   -4.9601500   -0.7362391 
C     4.0774017   -3.7854310   -2.6613991 
C     3.6375819   -4.8144846    3.4715992 
H     4.4791587   -2.8751970    3.0865335 
C     3.0971965   -6.0302388    1.4945694 
C     3.0971965   -6.0302388   -1.4945694 
C     3.6375819   -4.8144846   -3.4715992 
H     4.4791587   -2.8751970   -3.0865335 
C     3.1385230   -5.9595892    2.8750097 
H     3.6926411   -4.7120633    4.5476573 
C     3.1385230   -5.9595892   -2.8750097 
H     3.6926411   -4.7120633   -4.5476573 
H     2.7827575   -6.7889304    3.4740733 
H     2.7827575   -6.7889304   -3.4740733 
Re   -4.7921710    2.2612671    0.0000000 
C    -6.5891360    3.0149792    0.0000000 
C    -5.3325409    0.9878351    1.3511452 
C    -5.3325409    0.9878351   -1.3511452 
N    -4.0435698    3.8502812    1.3268737 
N    -4.0435698    3.8502812   -1.3268737 
O    -7.6454269    3.4530947    0.0000000 
O    -5.6481150    0.2444886    2.1689878 
O    -5.6481150    0.2444886   -2.1689878 
C    -4.0774017    3.7854310    2.6613991 
C    -3.5546889    4.9601500    0.7362391 
C    -3.5546889    4.9601500   -0.7362391 
C    -4.0774017    3.7854310   -2.6613991 
C    -3.6375819    4.8144846    3.4715992 
H    -4.4791587    2.8751970    3.0865335 
C    -3.0971965    6.0302388    1.4945694 
C    -3.0971965    6.0302388   -1.4945694 
C    -3.6375819    4.8144846   -3.4715992 
H    -4.4791587    2.8751970   -3.0865335 
C    -3.1385230    5.9595892    2.8750097 
H    -3.6926411    4.7120633    4.5476573 
C    -3.1385230    5.9595892   -2.8750097 
H    -3.6926411    4.7120633   -4.5476573 
H    -2.7827575    6.7889304    3.4740733 
H    -2.7827575    6.7889304   -3.4740733 
Re    2.2612671    4.7921710    0.0000000 
C     3.0149792    6.5891360    0.0000000 
C     0.9878351    5.3325409    1.3511452 
C     0.9878351    5.3325409   -1.3511452 
N     3.8502812    4.0435698    1.3268737 
N     3.8502812    4.0435698   -1.3268737 
O     3.4530947    7.6454269    0.0000000 
O     0.2444886    5.6481150    2.1689878 
O     0.2444886    5.6481150   -2.1689878 
C     3.7854310    4.0774017    2.6613991 
C     4.9601500    3.5546889    0.7362391 
C     4.9601500    3.5546889   -0.7362391 
C     3.7854310    4.0774017   -2.6613991 
C     4.8144846    3.6375819    3.4715992 
H     2.8751970    4.4791587    3.0865335 
C     6.0302388    3.0971965    1.4945694 
C     6.0302388    3.0971965   -1.4945694 
C     4.8144846    3.6375819   -3.4715992 
H     2.8751970    4.4791587   -3.0865335 
C     5.9595892    3.1385230    2.8750097 
H     4.7120633    3.6926411    4.5476573 
C     5.9595892    3.1385230   -2.8750097 
H     4.7120633    3.6926411   -4.5476573 
H     6.7889304    2.7827575    3.4740733 
H     6.7889304    2.7827575   -3.4740733 
Re   -2.2612671   -4.7921710    0.0000000 
C    -3.0149792   -6.5891360    0.0000000 
C    -0.9878351   -5.3325409    1.3511452 
C    -0.9878351   -5.3325409   -1.3511452 
N    -3.8502812   -4.0435698    1.3268737 
N    -3.8502812   -4.0435698   -1.3268737 
O    -3.4530947   -7.6454269    0.0000000 
O    -0.2444886   -5.6481150    2.1689878 
O    -0.2444886   -5.6481150   -2.1689878 
C    -3.7854310   -4.0774017    2.6613991 
C    -4.9601500   -3.5546889    0.7362391 
C    -4.9601500   -3.5546889   -0.7362391 
C    -3.7854310   -4.0774017   -2.6613991 
C    -4.8144846   -3.6375819    3.4715992 
H    -2.8751970   -4.4791587    3.0865335 
C    -6.0302388   -3.0971965    1.4945694 
C    -6.0302388   -3.0971965   -1.4945694 
C    -4.8144846   -3.6375819   -3.4715992 
H    -2.8751970   -4.4791587   -3.0865335 
C    -5.9595892   -3.1385230    2.8750097 
H    -4.7120633   -3.6926411    4.5476573 
C    -5.9595892   -3.1385230   -2.8750097 
H    -4.7120633   -3.6926411   -4.5476573 
H    -6.7889304   -2.7827575    3.4740733 
H    -6.7889304   -2.7827575   -3.4740733 
H    -6.9174081   -2.7078101   -1.0156013 
H    -6.9174081   -2.7078101    1.0156013 
H    -2.7078101    6.9174081   -1.0156013 
H    -2.7078101    6.9174081    1.0156013 
H     2.7078101   -6.9174081   -1.0156013 
H     2.7078101   -6.9174081    1.0156013 
H     6.9174081    2.7078101   -1.0156013 
H     6.9174081    2.7078101    1.0156013 
125
(8)
Pt    0.0000000    0.0000000    0.0000000 
C     0.9845518    1.7446271    0.0000000 
C    -0.9845518   -1.7446271    0.0000000 
C    -1.7446271    0.9845518    0.0000000 
C     1.7446271   -0.9845518    0.0000000 
N     2.7711452   -1.5149237    0.0000000 
N    -1.5149237   -2.7711452    0.0000000 
N    -2.7711452    1.5149237    0.0000000 
N     1.5149237    2.7711452    0.0000000 
Re    4.7801007   -2.2788873    0.0000000 
C     6.5781867   -3.0278757    0.0000000 
C     5.3131191   -1.0116078    1.3593936 
C     5.3131191   -1.0116078   -1.3593936 
N     4.0331609   -3.8639641    1.3439427 
N     4.0331609   -3.8639641   -1.3439427 
O     7.6368569   -3.4613019    0.0000000 
O     5.6206054   -0.2736749    2.1849633 
O     5.6206054   -0.2736749   -2.1849633 
C     4.0415647   -3.8472099    2.6685201 
C     3.5521620   -4.9640510    0.7138109 
C     3.5521620   -4.9640510   -0.7138109 
C     4.0415647   -3.8472099   -2.6685201 
C     3.5809080   -4.9157211    3.4398094 
H     4.4340865   -2.9547929    3.1393814 
C     3.0748477   -6.0870083    1.4117207 
C     3.0748477   -6.0870083   -1.4117207 
C     3.5809080   -4.9157211   -3.4398094 
H     4.4340865   -2.9547929   -3.1393814 
C     3.0975933   -6.0374870    2.8146915 
H     3.6164422   -4.8428881    4.5191666 
C     2.5928768   -7.2124297    0.6770180 
C     3.0975933   -6.0374870   -2.8146915 
C     2.5928768   -7.2124297   -0.6770180 
H     3.6164422   -4.8428881   -4.5191666 
H     2.7342668   -6.8827976    3.3881242 
H     2.2269930   -8.0706046    1.2290084 
H     2.7342668   -6.8827976   -3.3881242 
H     2.2269930   -8.0706046   -1.2290084 
Re   -4.7801007    2.2788873    0.0000000 
C    -6.5781867    3.0278757    0.0000000 
C    -5.3131191    1.0116078    1.3593936 
C    -5.3131191    1.0116078   -1.3593936 
N    -4.0331609    3.8639641    1.3439427 
N    -4.0331609    3.8639641   -1.3439427 
O    -7.6368569    3.4613019    0.0000000 
O    -5.6206054    0.2736749    2.1849633 
O    -5.6206054    0.2736749   -2.1849633 
C    -4.0415647    3.8472099    2.6685201 
C    -3.5521620    4.9640510    0.7138109 
C    -3.5521620    4.9640510   -0.7138109 
C    -4.0415647    3.8472099   -2.6685201 
C    -3.5809080    4.9157211    3.4398094 
H    -4.4340865    2.9547929    3.1393814 
C    -3.0748477    6.0870083    1.4117207 
C    -3.0748477    6.0870083   -1.4117207 
C    -3.5809080    4.9157211   -3.4398094 
H    -4.4340865    2.9547929   -3.1393814 
C    -3.0975933    6.0374870    2.8146915 
H    -3.6164422    4.8428881    4.5191666 
C    -2.5928768    7.2124297    0.6770180 
C    -3.0975933    6.0374870   -2.8146915 
C    -2.5928768    7.2124297   -0.6770180 
H    -3.6164422    4.8428881   -4.5191666 
H    -2.7342668    6.8827976    3.3881242 
H    -2.2269930    8.0706046    1.2290084 
H    -2.7342668    6.8827976   -3.3881242 
H    -2.2269930    8.0706046   -1.2290084 
Re    2.2788873    4.7801007    0.0000000 
C     3.0278757    6.5781867    0.0000000 
C     1.0116078    5.3131191    1.3593936 
C     1.0116078    5.3131191   -1.3593936 
N     3.8639641    4.0331609    1.3439427 
N     3.8639641    4.0331609   -1.3439427 
O     3.4613019    7.6368569    0.0000000 
O     0.2736749    5.6206054    2.1849633 
O     0.2736749    5.6206054   -2.1849633 
C     3.8472099    4.0415647    2.6685201 
C     4.9640510    3.5521620    0.7138109 
C     4.9640510    3.5521620   -0.7138109 
C     3.8472099    4.0415647   -2.6685201 
C     4.9157211    3.5809080    3.4398094 
H     2.9547929    4.4340865    3.1393814 
C     6.0870083    3.0748477    1.4117207 
C     6.0870083    3.0748477   -1.4117207 
C     4.9157211    3.5809080   -3.4398094 
H     2.9547929    4.4340865   -3.1393814 
C     6.0374870    3.0975933    2.8146915 
H     4.8428881    3.6164422    4.5191666 
C     7.2124297    2.5928768    0.6770180 
C     6.0374870    3.0975933   -2.8146915 
C     7.2124297    2.5928768   -0.6770180 
H     4.8428881    3.6164422   -4.5191666 
H     6.8827976    2.7342668    3.3881242 
H     8.0706046    2.2269930    1.2290084 
H     6.8827976    2.7342668   -3.3881242 
H     8.0706046    2.2269930   -1.2290084 
Re   -2.2788873   -4.7801007    0.0000000 
C    -3.0278757   -6.5781867    0.0000000 
C    -1.0116078   -5.3131191    1.3593936 
C    -1.0116078   -5.3131191   -1.3593936 
N    -3.8639641   -4.0331609    1.3439427 
N    -3.8639641   -4.0331609   -1.3439427 
O    -3.4613019   -7.6368569    0.0000000 
O    -0.2736749   -5.6206054    2.1849633 
O    -0.2736749   -5.6206054   -2.1849633 
C    -3.8472099   -4.0415647    2.6685201 
C    -4.9640510   -3.5521620    0.7138109 
C    -4.9640510   -3.5521620   -0.7138109 
C    -3.8472099   -4.0415647   -2.6685201 
C    -4.9157211   -3.5809080    3.4398094 
H    -2.9547929   -4.4340865    3.1393814 
C    -6.0870083   -3.0748477    1.4117207 
C    -6.0870083   -3.0748477   -1.4117207 
C    -4.9157211   -3.5809080   -3.4398094 
H    -2.9547929   -4.4340865   -3.1393814 
C    -6.0374870   -3.0975933    2.8146915 
H    -4.8428881   -3.6164422    4.5191666 
C    -7.2124297   -2.5928768    0.6770180 
C    -6.0374870   -3.0975933   -2.8146915 
C    -7.2124297   -2.5928768   -0.6770180 
H    -4.8428881   -3.6164422   -4.5191666 
H    -6.8827976   -2.7342668    3.3881242 
H    -8.0706046   -2.2269930    1.2290084 
H    -6.8827976   -2.7342668   -3.3881242 
H    -8.0706046   -2.2269930   -1.2290084 
175
(9)
Fe    0.0000000   -0.0000000    0.0000000 
C    -1.4896758   -0.4204643   -1.1220991 
C     0.3807051    1.5003292   -1.1220991 
C    -1.1089707    1.0798649    1.1220991 
C    -0.3807051   -1.5003292    1.1220991 
C     1.1089707   -1.0798649   -1.1220991 
C     1.4896758    0.4204643    1.1220991 
N    -2.3832372   -0.6305983   -1.8380547 
N    -0.6455045   -2.3792431    1.8380547 
N    -1.7377327    1.7486448    1.8380547 
N     2.3832372    0.6305983    1.8380547 
N     1.7377327   -1.7486448   -1.8380547 
N     0.6455045    2.3792431   -1.8380547 
Re   -1.4333249   -3.7554189    3.2696968 
C    -2.1147946   -5.0595978    4.5473705 
C    -3.2372939   -3.3829831    2.6992713 
C    -1.6264925   -2.3687299    4.5980519 
N    -0.9151881   -5.3421323    1.8267431 
N     0.6498621   -4.3302008    3.7074896 
O    -2.5261183   -5.8235692    5.2972070 
O    -4.3159857   -3.1790542    2.3512560 
O    -1.7247028   -1.5540137    5.4034492 
C    -1.7499576   -5.7936296    0.8870827 
C     0.2990924   -5.9120512    1.9511985 
C     1.1688709   -5.3509162    2.9975706 
C     1.3871781   -3.7640573    4.6664309 
C    -1.4322680   -6.8400027    0.0443220 
H    -2.7067374   -5.2922787    0.8238666 
C     0.6786002   -6.9734788    1.1371051 
C     2.4439417   -5.8340525    3.2654826 
C     2.6646315   -4.1913318    4.9770310 
H     0.9350729   -2.9401320    5.2005170 
C    -0.1945536   -7.4460582    0.1759829 
H    -2.1456207   -7.1702573   -0.6991148 
C     3.1999414   -5.2520489    4.2673205 
H     3.2150999   -3.6968263    5.7667576 
H     0.0899135   -8.2734729   -0.4625799 
H     4.1920253   -5.6251833    4.4919573 
Re   -2.5356258    3.1190052    3.2696968 
C    -3.3243430    4.3612647    4.5473705 
C    -1.3111023    4.4950703    2.6992713 
C    -1.2381340    2.5929488    4.5980519 
N    -4.1688283    3.4636423    1.8267431 
N    -4.0749950    1.6023033    3.7074896 
O    -3.7802997    5.0994672    5.2972070 
O    -0.5951488    5.3272803    2.3512560 
O    -0.4834639    2.2706433    5.4034492 
C    -4.1424516    4.4123226    0.8870827 
C    -5.2695327    2.6970040    1.9511985 
C    -5.2184648    1.6631862    2.9975706 
C    -3.9533583    0.6806971    4.6664309 
C    -5.2074821    4.6603819    0.0443220 
H    -3.2298791    4.9902427    0.8238666 
C    -6.3785099    2.8990544    1.1371051 
C    -6.2744086    0.8005107    3.2654826 
C    -4.9621156   -0.2119727    4.9770310 
H    -3.0137654    0.6602691    5.2005170 
C    -6.3511988    3.8915174    0.1759829 
H    -5.1368147    5.4432907   -0.6991148 
C    -6.1483785   -0.1452061    4.2673205 
H    -4.8090954   -0.9359451    5.7667576 
H    -7.2099945    4.0588691   -0.4625799 
H    -6.9675642   -0.8178087    4.4919573 
Re    3.9689506    0.6364137    3.2696968 
C     5.4391375    0.6983331    4.5473705 
C     4.5483962   -1.1120872    2.6992713 
C     2.8646265   -0.2242189    4.5980519 
N     5.0840163    1.8784901    1.8267431 
N     3.4251329    2.7278976    3.7074896 
O     6.3064180    0.7241020    5.2972070 
O     4.9111345   -2.1482262    2.3512560 
O     2.2081667   -0.7166296    5.4034492 
C     5.8924092    1.3813070    0.8870827 
C     4.9704403    3.2150472    1.9511985 
C     4.0495939    3.6877300    2.9975706 
C     2.5661802    3.0833602    4.6664309 
C     6.6397501    2.1796209    0.0443220 
H     5.9366165    0.3020360    0.8238666 
C     5.6999097    4.0744244    1.1371051 
C     3.8304668    5.0335419    3.2654826 
C     2.2974841    4.4033045    4.9770310 
H     2.0786925    2.2798629    5.2005170 
C     6.5457524    3.5545408    0.1759829 
H     7.2824353    1.7269667   -0.6991148 
C     2.9484370    5.3972550    4.2673205 
H     1.5939955    4.6327713    5.7667576 
H     7.1200809    4.2146038   -0.4625799 
H     2.7755390    6.4429920    4.4919573 
Re    2.5356258   -3.1190052   -3.2696968 
C     3.3243430   -4.3612647   -4.5473705 
C     1.2381340   -2.5929488   -4.5980519 
C     1.3111023   -4.4950703   -2.6992713 
N     4.0749950   -1.6023033   -3.7074896 
N     4.1688283   -3.4636423   -1.8267431 
O     3.7802997   -5.0994672   -5.2972070 
O     0.4834639   -2.2706433   -5.4034492 
O     0.5951488   -5.3272803   -2.3512560 
C     3.9533583   -0.6806971   -4.6664309 
C     5.2184648   -1.6631862   -2.9975706 
C     5.2695327   -2.6970040   -1.9511985 
C     4.1424516   -4.4123226   -0.8870827 
C     4.9621156    0.2119727   -4.9770310 
H     3.0137654   -0.6602691   -5.2005170 
C     6.2744086   -0.8005107   -3.2654826 
C     6.3785099   -2.8990544   -1.1371051 
C     5.2074821   -4.6603819   -0.0443220 
H     3.2298791   -4.9902427   -0.8238666 
C     6.1483785    0.1452061   -4.2673205 
H     4.8090954    0.9359451   -5.7667576 
C     6.3511988   -3.8915174   -0.1759829 
H     5.1368147   -5.4432907    0.6991148 
H     6.9675642    0.8178087   -4.4919573 
H     7.2099945   -4.0588691    0.4625799 
Re   -3.9689506   -0.6364137   -3.2696968 
C    -5.4391375   -0.6983331   -4.5473705 
C    -2.8646265    0.2242189   -4.5980519 
C    -4.5483962    1.1120872   -2.6992713 
N    -3.4251329   -2.7278976   -3.7074896 
N    -5.0840163   -1.8784901   -1.8267431 
O    -6.3064180   -0.7241020   -5.2972070 
O    -2.2081667    0.7166296   -5.4034492 
O    -4.9111345    2.1482262   -2.3512560 
C    -2.5661802   -3.0833602   -4.6664309 
C    -4.0495939   -3.6877300   -2.9975706 
C    -4.9704403   -3.2150472   -1.9511985 
C    -5.8924092   -1.3813070   -0.8870827 
C    -2.2974841   -4.4033045   -4.9770310 
H    -2.0786925   -2.2798629   -5.2005170 
C    -3.8304668   -5.0335419   -3.2654826 
C    -5.6999097   -4.0744244   -1.1371051 
C    -6.6397501   -2.1796209   -0.0443220 
H    -5.9366165   -0.3020360   -0.8238666 
C    -2.9484370   -5.3972550   -4.2673205 
H    -1.5939955   -4.6327713   -5.7667576 
C    -6.5457524   -3.5545408   -0.1759829 
H    -7.2824353   -1.7269667    0.6991148 
H    -2.7755390   -6.4429920   -4.4919573 
H    -7.1200809   -4.2146038    0.4625799 
Re    1.4333249    3.7554189   -3.2696968 
C     2.1147946    5.0595978   -4.5473705 
C     1.6264925    2.3687299   -4.5980519 
C     3.2372939    3.3829831   -2.6992713 
N    -0.6498621    4.3302008   -3.7074896 
N     0.9151881    5.3421323   -1.8267431 
O     2.5261183    5.8235692   -5.2972070 
O     1.7247028    1.5540137   -5.4034492 
O     4.3159857    3.1790542   -2.3512560 
C    -1.3871781    3.7640573   -4.6664309 
C    -1.1688709    5.3509162   -2.9975706 
C    -0.2990924    5.9120512   -1.9511985 
C     1.7499576    5.7936296   -0.8870827 
C    -2.6646315    4.1913318   -4.9770310 
H    -0.9350729    2.9401320   -5.2005170 
C    -2.4439417    5.8340525   -3.2654826 
C    -0.6786002    6.9734788   -1.1371051 
C     1.4322680    6.8400027   -0.0443220 
H     2.7067374    5.2922787   -0.8238666 
C    -3.1999414    5.2520489   -4.2673205 
H    -3.2150999    3.6968263   -5.7667576 
C     0.1945536    7.4460582   -0.1759829 
H     2.1456207    7.1702573    0.6991148 
H    -4.1920253    5.6251833   -4.4919573 
H    -0.0899135    8.2734729    0.4625799 
H    -5.6164526   -5.1458796   -1.2552801 
H    -4.3542506   -5.7967707   -2.7065561 
H     7.1972760   -0.8725063   -2.7065561 
H     7.2646888   -2.2910508   -1.2552801 
H     5.6164526    5.1458796    1.2552801 
H     4.3542506    5.7967707    2.7065561 
H     1.6482362   -7.4369304    1.2552801 
H     2.8430253   -6.6692770    2.7065561 
H    -1.6482362    7.4369304   -1.2552801 
H    -2.8430253    6.6692770   -2.7065561 
H    -7.2646888    2.2910508    1.2552801 
H    -7.1972760    0.8725063    2.7065561 
