46 Complex 1 C -1.47992681 3.1724294278 -0.9902270129 N -0.28096723 3.8395004244 -1.1596084144 C -0.01484946 4.3668960919 -2.3870410051 C -0.87358198 4.2595361798 -3.4583769338 C -2.09530004 3.5733632773 -3.2961433387 C -2.38618196 3.0362583574 -2.0579904674 H 0.93241167 4.8832273128 -2.4744297658 H -0.59923968 4.7019966420 -4.4106071733 H -2.791175850 3.4704630659 -4.1225696678 H -3.318970545 2.5054820122 -1.8997645907 C -1.860374614 1.8233479609 2.9675812363 C -2.923261674 1.5366137638 2.0855965265 C -2.822770933 1.9643081385 0.7767266193 C -1.684241535 2.6670399889 0.3411795237 N -0.643644846 2.9374932052 1.2100905146 C -0.763494712 2.5109282043 2.4980765028 H -1.891802494 1.5114013341 4.0065495054 H -3.799751660 0.9949391943 2.4264084722 H -3.624714186 1.7628164048 0.0745206708 H 0.072732228 2.7458151104 3.1439109862 Rh 0.927120577 3.9717580069 0.4601600073 C 2.612937456 3.9898280734 1.9690964675 C 2.055221933 5.3258189258 1.9282772856 C 2.255701382 5.8365204068 0.6129381558 C 2.935470256 4.8141331189 -0.1548435454 C 3.221591346 3.7060364888 0.7050283658 C 2.720382279 3.1213443722 3.1901826498 H 2.522151078 2.0704210801 2.9557875936 H 3.725864806 3.1781728888 3.6267071499 H 2.017672914 3.4304335350 3.9692766488 C 1.414106861 6.0379985735 3.0832426671 H 0.756916836 6.8413180231 2.7397848409 H 0.804169209 5.3556850119 3.6842442765 H 2.163639976 6.4829872315 3.7521690467 C 1.869096761 7.1946090342 0.1051330292 H 1.512448940 7.1475449052 -0.9289569391 H 1.064901622 7.6291246992 0.7049648742 H 2.717330925 7.8926795903 0.1280123006 C 3.443308041 4.9640654583 -1.5607991292 H 3.303030562 4.0450475247 -2.1391666086 H 2.935646363 5.7756223111 -2.0900139082 H 4.515597476 5.1985136207 -1.5695573377 C 4.026135883 2.4907264663 0.3561921611 H 3.941194255 2.2469032821 -0.7068839872 H 5.093917412 2.6381034744 0.5758833662 H 3.692808259 1.6166157961 0.9228773267 69 TS 1a C -0.79348416 1.0754237943 -0.8793376889 N -1.30977087 2.0944669959 -0.1259067609 C -2.31579440 1.8173939509 0.7355648732 C -2.84768444 0.5469288145 0.8846818212 C -2.32745073 -0.5004610442 0.1150026564 C 2.33706375 2.4123663719 -3.3702457610 C 2.01257951 1.0512431988 -3.4179422127 C 0.29601206 1.4673162394 -1.7740786367 N 0.61704456 2.7964507615 -1.7353856430 C 1.620582653 3.2428546344 -2.5241386713 Rh -0.497966830 3.9645414644 -0.4404361789 C 0.627666326 5.7324574631 0.3234695806 C -0.319578848 5.3109686121 1.3266704626 C -1.627670548 5.5019686667 0.7866627798 C -1.560544056 6.2235649622 -0.5044606279 C -0.119410938 6.2098559309 -0.7966872873 C 2.122401718 5.7350799126 0.4667456811 C 0.016478962 4.7990964469 2.6969696924 C -2.894016793 5.3395023545 1.5790633765 C 0.473663303 6.8651440447 -2.0103571249 C -2.343157748 7.5379133386 -0.6251788325 H -3.423921504 7.3806651723 -0.5497174770 H -2.055527302 8.2274142211 0.1810220392 H -2.293073856 5.5213092614 -1.6993262948 H -2.144001172 8.0437976491 -1.5735218250 C 0.984813630 0.5807203682 -2.6122725269 C -1.293705786 -0.2291113471 -0.7706421069 H 2.620147289 5.5926873976 -0.4965161632 H 2.473272032 6.6905922882 0.8756810999 H 2.463406589 4.9400621385 1.1342323633 H -0.708017229 4.0521019313 3.0314477158 H 1.004188670 4.3328920258 2.7205941348 H 0.012329333 5.6147342761 3.4307539826 H -3.722663059 4.9711961477 0.9679799597 H -2.768062023 4.6595857318 2.4260416157 H -3.205803175 6.3073902119 1.9930259863 H -0.135150609 6.6899347654 -2.9021159305 H 0.530155677 7.9514358100 -1.8620560635 H 1.490291243 6.5218708486 -2.2189182411 H -2.684617014 2.6575955922 1.3105740324 H -3.651820469 0.3805546598 1.5934473033 H -2.720770205 -1.5073214022 0.2090330863 H 3.135022178 2.8235102757 -3.9791397889 H 2.554940318 0.3734387498 -4.0688046251 H 1.833114512 4.3028312235 -2.4553502822 H 0.720289684 -0.4698324992 -2.6289403764 H -0.874624103 -1.0247586406 -1.3749079366 N -2.97654641 5.0573007482 -2.6617544500 C -3.89212126 4.1515876536 -1.8969605616 C -5.143163590 3.6210390600 -2.5937679652 H -4.19639223 4.7295253113 -1.0189533199 H -3.26655145 3.3351108162 -1.5281309728 H -5.66233024 2.9547742490 -1.8973087298 H -5.83848927 4.4247275103 -2.8490164183 H -4.92389921 3.0512199911 -3.4972510449 C -3.64949150 6.2108204197 -3.3389252159 C -4.199797902 5.9646140764 -4.7443533854 H -2.903805865 7.0094876601 -3.3872972486 H -4.440269608 6.5527720477 -2.6652690847 H -4.676080391 6.8852952500 -5.0949854617 H -3.404134798 5.7210442358 -5.4534110682 H -4.945389510 5.1695638379 -4.7781533146 C -1.943134910 4.3746771051 -3.4982069138 C -2.358452973 3.1475067267 -4.3041358306 H -1.162822618 4.0790033926 -2.7855818118 H -1.514184336 5.1401894403 -4.1514620283 H -1.478552348 2.7833072884 -4.8440333526 H -2.695638670 2.3347905630 -3.6546602412 H -3.139423805 3.3569080582 -5.0379451913 70 TS 1b C -0.08820972 0.8102799783 -0.6009513659 N -0.79488843 1.7762964510 0.0579000682 C -1.71497334 1.3943167397 0.9684274325 C -1.97232338 0.0641698284 1.2661950799 C -1.24858528 -0.9292885860 0.6008820278 C 2.66330443 2.4854583542 -3.3252578505 C 2.63756283 1.0925901004 -3.2138486704 C 0.88509226 1.3198797521 -1.5709686460 N 0.91653894 2.6803940191 -1.6847153502 C 1.794518815 3.2355259863 -2.5471613486 Rh -0.345744912 3.7323859317 -0.4399281082 C 0.295939763 5.8124461247 -0.0179342759 C -0.559208273 5.3606987120 1.0619347577 C -1.867639643 5.1915998744 0.5237050160 C -1.939540460 5.8212976940 -0.8146574339 C -0.521031957 5.9209059171 -1.1852206812 X -0.6168978 5.5658471776 0.1104271742 C 1.741713388 6.1982846837 0.1210298034 C -0.134918036 5.1930282085 2.4934220671 C -3.072026382 4.7619895216 1.3112361469 C -0.051676758 6.2856585443 -2.5676174785 C -2.957222674 5.3780738252 -1.8651899506 H -2.955763389 6.0627596814 -2.7211208403 H -2.754178582 4.3753091178 -2.2567515594 H -2.372050082 7.2857094043 -0.4856647069 H -3.974379217 5.3661686669 -1.4644654705 C 1.740486761 0.5113046946 -2.3271021484 C -0.299778995 -0.5482054490 -0.3397172370 H 2.279401070 6.0972679429 -0.8254878852 H 1.850728660 7.2406150374 0.4492114936 H 2.250346424 5.5673566940 0.8541164851 H -0.773750357 4.4783201064 3.0187713674 H 0.891958266 4.8246603771 2.5602369149 H -0.182641739 6.1424352990 3.0418321797 H -3.757850064 4.1660105924 0.7011384705 H -2.795339838 4.1734345677 2.1896356683 H -3.634543964 5.6283238198 1.6833671830 H -0.321509083 5.5070371447 -3.2888497261 H -0.516549694 7.2122739767 -2.9182332782 H 1.029631848 6.4356043839 -2.6107427786 H -2.247935365 2.1962806544 1.4621488472 H -2.724341513 -0.1854998764 2.0068150141 H -1.422262212 -1.9794496989 0.8116631272 H 3.347487880 2.9853462289 -4.0022510444 H 3.305303381 0.4739861804 -3.8043303458 H 1.785603603 4.3161426999 -2.5954344262 H 1.706745651 -0.5663769482 -2.2196293874 H 0.271251798 -1.3011345519 -0.8693701973 N -2.77265206 8.4806382672 -0.4238370415 C -4.19217754 8.4655720961 -0.9221293954 C -5.150101528 7.6228254556 -0.0868114382 H -4.15332784 8.0750636683 -1.9422121078 H -4.54108921 9.5042406023 -0.9785782836 H -6.11687786 7.5870931720 -0.5967581790 H -4.79185397 6.5991443105 0.0252162618 H -5.32644235 8.0374261035 0.9090534953 C -2.66904911 9.1045673120 0.9450098639 C -1.704571186 8.3838469905 1.8807177952 H -3.663617027 9.1066500906 1.3905481819 H -2.385437629 10.1538680451 0.8139345398 H -1.612679865 8.9548050849 2.8096487731 H -2.075838204 7.3887600240 2.1291533610 H -0.708647046 8.2706165873 1.4490810171 C -1.929503602 9.2129698422 -1.4306765767 C -0.464858008 9.3849496889 -1.0423394030 H -2.391877184 10.1923641837 -1.6050173838 H -2.009801058 8.6435625636 -2.3607750455 H 0.069879005 9.8201240348 -1.8913604952 H -0.335833364 10.0622550894 -0.1947087034 H 0.004333318 8.4307584630 -0.8001706573 70 TS 1c C -0.20063266 0.9134997433 -0.4464464902 N -0.80516641 1.9599797472 0.1894765164 C -1.58800325 1.7087296220 1.2618627302 C -1.81085198 0.4275021722 1.7422206963 C -1.20908948 -0.6532589101 1.0888663267 C 2.18395841 2.2127925845 -3.6796848150 C 2.12807552 0.8374687187 -3.4337584626 C 0.64590789 1.2904794377 -1.5834407893 N 0.70146610 2.6322304643 -1.8367968638 C 1.458392716 3.0698866603 -2.8659623967 Rh -0.306085485 3.8457027259 -0.4962573631 C 1.258936463 5.4193088337 0.4070060568 C 0.371898122 5.0670727078 1.4353525158 C -0.987720285 5.3784614357 0.9878303948 C -0.900675996 6.0342036414 -0.2815269587 C 0.465094150 5.9488419083 -0.7022831323 X -0.0814212 5.4051661043 0.4170228104 C 2.748602398 5.2509840600 0.3715639747 C 0.693953164 4.4313998268 2.7542413147 C -2.203451757 5.3299741930 1.8678517377 C 1.051208182 6.5998277828 -1.9214621952 C -1.990787191 6.8001576152 -0.9686043473 H -1.980884899 7.8479802836 -0.6398530129 H -1.864391609 6.8010978515 -2.0540195100 H -1.692551788 3.5930992096 -1.5640833992 H -2.980698368 6.3995242070 -0.7353267097 C 1.350254228 0.3786848848 -2.3782670342 C -0.400531790 -0.4029407625 -0.0119468302 H 3.071550101 4.7561276874 -0.5518070521 H 3.258175800 6.2214388328 0.4123929093 H 3.108752533 4.6505765247 1.2099648642 H 0.093667396 3.5279887058 2.9154462521 H 1.745417375 4.1440626915 2.8204193721 H 0.479272761 5.1137066571 3.5854139253 H -3.113439744 5.1453352957 1.2907639122 H -2.120036260 4.5503858194 2.6305124500 H -2.337338625 6.2792367285 2.4015487951 H 0.367086445 6.5662973097 -2.7736553213 H 1.276834919 7.6551346682 -1.7243120568 H 1.992470317 6.1276037401 -2.2173973439 H -2.045532792 2.5757212059 1.7217132878 H -2.447620951 0.2806402382 2.6079298374 H -1.366279948 -1.6695575211 1.4347699803 H 2.777965530 2.6175119127 -4.4920085001 H 2.681258252 0.1387621205 -4.0526523191 H 1.460093450 4.1404494748 -3.0266549353 H 1.294002196 -0.6830357411 -2.1689607227 H 0.080598944 -1.2252072405 -0.5283039735 N -2.83369464 3.2288759256 -2.3259271612 C -3.88650285 3.2148737435 -1.2766125595 C -5.303706931 2.8376999681 -1.7086772633 H -3.88072995 4.2170504797 -0.8362147127 H -3.53304862 2.5329383681 -0.4974431782 H -5.98656505 2.9919006873 -0.8670497218 H -5.66051729 3.4539573585 -2.5388740269 H -5.37716353 1.7872209912 -2.0000488399 C -3.03374634 4.2833098725 -3.3497718890 C -1.766738886 4.5519081373 -4.1584744320 H -3.329078009 5.1868105291 -2.8126517313 H -3.866240215 4.0187005303 -4.0121304875 H -1.931174416 5.4010260095 -4.8278034000 H -0.933882123 4.7862124247 -3.4908864242 H -1.479333372 3.6960156268 -4.7757011831 C -2.487439094 1.8909515771 -2.8851211113 C -3.321005683 1.3865160201 -4.0661355927 H -2.539200601 1.1847235873 -2.0517663015 H -1.438043731 1.9428812269 -3.1853609523 H -2.982921267 0.3784006579 -4.3258985271 H -4.387557350 1.3326391908 -3.8424582449 H -3.191847300 2.0093726856 -4.9554939695 48 Complex 2 C 0.17735772 1.4697729864 0.7169531626 N -0.76518279 2.4439444472 0.7941823401 C -1.57208614 2.5033328682 1.8669050872 C -1.46530352 1.6121715552 2.9285146351 C -0.49351143 0.6138124629 2.8687575790 C 0.33005429 0.5399504864 1.7501060397 H -2.32178702 3.2840350416 1.8552985563 H -2.13538401 1.7008215499 3.7764144435 H -0.381480249 -0.1007933349 3.6776992786 H 1.083803035 -0.2351250119 1.6841030581 C 2.369872216 1.6226790594 -2.8993950170 C 2.703332919 0.6247863798 -1.9843059507 C 2.001727642 0.5470124165 -0.7857597081 C 0.988497983 1.4720225941 -0.5161989502 N 0.682803403 2.4460510425 -1.4113575065 C 1.348941870 2.5093644674 -2.5765713541 H 2.883503731 1.7144968938 -3.8499388500 H 3.493709864 -0.0863428424 -2.2015148496 H 2.243166086 -0.2274384414 -0.0684000676 H 1.038912187 3.2898560343 -3.2595378799 Rh -0.827510749 3.7917015679 -0.8239147464 C 0.193593219 5.9002143827 -1.0068367108 C -0.567465185 5.9039384613 0.1750231522 C -1.954284165 5.5858780375 -0.1794208901 C -2.038893877 5.4862360070 -1.6072167133 C -0.703309468 5.5791697741 -2.1210112767 X -1.0477674 5.6494146753 -0.9685068286 C 1.664040586 6.1458846882 -1.1577207512 H 2.133899552 5.3760329411 -1.7793946773 H 1.845760093 7.1111711166 -1.6448138043 H 2.176021024 6.1541118898 -0.1936395621 C -0.096536717 6.1545203033 1.5750711372 H -0.461270748 5.3810910920 2.2591489806 H 0.992976949 6.1718812341 1.6412734190 H -0.472498295 7.1166511198 1.9424549455 C -3.120318084 5.6434816355 0.7623804094 H -3.897711164 4.9270265697 0.4848050578 H -2.817680925 5.4456197975 1.7939725879 H -3.570875130 6.6433899957 0.7494292273 C -3.293127182 5.3620677870 -2.4189698681 H -3.116093766 4.8207606536 -3.3504991832 H -4.076699731 4.8386300428 -1.8681673413 H -3.668716462 6.3605876198 -2.6745623479 C -0.329393924 5.6293498814 -3.5723825332 H -0.902399996 4.9070987386 -4.1591137180 H -0.529841931 6.6260798672 -3.9838785536 H 0.735328443 5.4324646754 -3.7231332940 H -1.824214172 2.7817799417 -1.4765213404 48 Complex 3X C 0.27818324 1.4301839552 0.7980792459 N -0.49800739 2.5281883260 0.9980067407 C -1.24664366 2.6098997270 2.1101870981 C -1.26599800 1.6108442163 3.0780254573 C -0.47643143 0.4798323218 2.8817628885 C 0.30257041 0.3904053338 1.7307524009 H -1.84410132 3.5063910565 2.2128545605 H -1.88754632 1.7232053972 3.9593875128 H -0.464878755 -0.3229021821 3.6120335271 H 0.920770209 -0.4835593723 1.5663887129 C 2.489930644 1.6045818521 -2.8129962572 C 2.651689213 0.4789981902 -2.0078589500 C 1.936877899 0.3919497415 -0.8159823635 C 1.074454873 1.4286439633 -0.4506728927 N 0.922694227 2.5217222630 -1.2443431265 C 1.614892572 2.6010747658 -2.3928023033 H 3.026719075 1.7148413252 -3.7486224374 H 3.324078355 -0.3210718150 -2.3003529309 H 2.054540077 -0.4768052657 -0.1801899955 H 1.451302181 3.4937988625 -2.9823517165 Rh -0.427253805 3.9877457623 -0.5333559154 C -0.146103100 6.0136855477 -1.2425465199 C -0.922683242 6.0261335798 0.0029009311 C -2.156642921 5.3884332647 -0.2603129474 C -2.389739931 5.3342209938 -1.7685136519 C -0.932867778 5.3691550315 -2.2248353941 X -1.0373183 5.7014136935 -0.9262569700 C 1.205652167 6.6378281359 -1.4181830436 H 1.748469126 6.1927364647 -2.2552887426 H 1.101577812 7.7103413270 -1.6247114995 H 1.819303651 6.5278631716 -0.5209899947 C -0.480191061 6.6633618387 1.2854019773 H -0.989770636 6.2246187855 2.1461260835 H 0.596155618 6.5557937391 1.4386736122 H -0.712913466 7.7355446273 1.2737350287 C -3.291303198 5.2148825807 0.7032472748 H -3.754732287 4.2289957841 0.5975113056 H -2.986515062 5.3490857141 1.7439436174 H -4.071465124 5.9591691577 0.4959234252 H -2.882445347 6.2735233575 -2.0850032932 C -0.571720580 5.1687067408 -3.6653978755 H -0.875554565 4.1775862996 -4.0165440395 H -1.099987798 5.9044533260 -4.2861082189 H 0.496965402 5.2948414873 -3.8550035322 C -3.242416053 4.1714964810 -2.2889226160 H -3.324010899 4.2133829295 -3.3790492443 H -2.816346053 3.2018029379 -2.0143607061 H -4.256489939 4.2275005318 -1.8824460006 48 Complex 3 C 0.16499156 1.3330470363 0.7131143223 N -0.61646844 2.4288845626 0.9042990015 C -1.38087895 2.5050977726 2.0064346141 C -1.40973115 1.5046230191 2.9723174000 C -0.61344918 0.3768533067 2.7855011390 C 0.18039875 0.2920381501 1.6447957987 H -1.98263655 3.3991219105 2.1031701538 H -2.04341778 1.6137720964 3.8453678067 H -0.608161036 -0.4266740709 3.5149154464 H 0.804224628 -0.5791153856 1.4873592795 C 2.428979378 1.5168133541 -2.8639221212 C 2.579652518 0.3897752519 -2.0589423829 C 1.846600347 0.2999566396 -0.8785834124 C 0.978429193 1.3354790094 -0.5237718396 N 0.838405457 2.4309258562 -1.3165519252 C 1.547372415 2.5117283975 -2.4548183702 H 2.979474443 1.6295947561 -3.7912378415 H 3.257093026 -0.4091176345 -2.3427941876 H 1.955035190 -0.5703922075 -0.2432641097 H 1.392837886 3.4051653896 -3.0453037024 Rh -0.512457608 3.8997813890 -0.6139237917 C -0.152875928 5.9377108916 -1.2647394817 C -0.949815821 5.9446224810 -0.0331522333 C -2.193797502 5.3396375787 -0.3297038736 C -2.397638277 5.3076475860 -1.8394351078 C -0.937121074 5.3293139439 -2.2730092565 X -1.0477674 5.6494146753 -0.9685068286 C 1.218768900 6.5249266182 -1.4067591861 H 1.766565239 6.0688203017 -2.2346975843 H 1.148859813 7.6007154862 -1.6100405579 H 1.809659778 6.3931208462 -0.4975244817 C -0.513714286 6.5404400002 1.2711612794 H -1.050629730 6.0981833770 2.1136130904 H 0.556248449 6.4000708423 1.4408211181 H -0.717170184 7.6185149782 1.2788932907 C -3.349747495 5.1723465833 0.6094372536 H -3.851964903 4.2127126132 0.4477342364 H -3.055773079 5.2432379633 1.6596333913 H -4.093840834 5.9593398604 0.4328003298 C -3.220679540 6.4995783233 -2.3784939637 H -3.282716979 6.4654575761 -3.4701348772 H -4.241852293 6.4737986297 -1.9871067416 H -2.758249629 7.4472929888 -2.0848050080 C -0.557041453 5.1491708106 -3.7114241235 H -0.913150431 4.1871896879 -4.0948038889 H -1.022386180 5.9325223785 -4.3230930273 H 0.521243229 5.2161703410 -3.8761666877 H -2.890580183 4.3772756872 -2.1535889014 48 TS 2 C -0.29619344 0.8814058471 -0.4768666665 N -0.73052153 1.9301201414 0.2780967312 C -1.51349931 1.6858036899 1.3481867709 C -1.89392238 0.4046557650 1.7204288252 C -1.45642343 -0.6773329184 0.9535401171 C 2.16374732 2.1387576480 -3.6714590483 C 1.92175433 0.7691128345 -3.5457848140 C 0.55899572 1.2469256698 -1.6128532277 N 0.80069910 2.5818536483 -1.7462245896 C 1.584293874 3.0070103121 -2.7576543572 Rh -0.107229105 3.8082300571 -0.3414168813 C 1.236491394 5.6157880213 0.3537008646 C 0.389103501 5.2598358421 1.4450988570 C -0.974924497 5.3653653395 1.0054396445 C -1.009864117 5.8750103723 -0.3713970998 C 0.402571982 5.9421433921 -0.7701676244 X -0.0814209 5.4051659999 0.4170230000 C 2.735633672 5.6687621164 0.3577700829 C 0.817706721 4.8628670830 2.8267114513 C -2.194507369 5.2189827077 1.8648059614 C 0.864715403 6.5014521917 -2.0822318340 C -2.103722658 6.7540387566 -0.9340632479 H -1.996578408 7.7656463494 -0.5243892879 H -2.044136821 6.8183203269 -2.0227196020 H -1.397294670 4.5710904640 -1.0910427272 H -3.094254110 6.3800435546 -0.6660777059 C 1.111515404 0.3246572408 -2.5087935320 C -0.653577768 -0.4323870034 -0.1533063713 H 3.150246594 5.3206761094 -0.5924241977 H 3.085046561 6.6966120296 0.5111444311 H 3.159748896 5.0500664418 1.1509595049 H 0.195005007 4.0545350922 3.2206819600 H 1.854502969 4.5215172716 2.8451427356 H 0.730671978 5.7099926503 3.5176359262 H -3.017254021 4.7513485644 1.3159484602 H -1.994046154 4.6294235283 2.7628627460 H -2.540596737 6.2047495310 2.1996455931 H 0.255267070 6.1312443667 -2.9119899326 H 0.781864993 7.5954190051 -2.0764329174 H 1.911803092 6.2618258620 -2.2836546934 H -1.836933727 2.5543564004 1.9068290760 H -2.522023267 0.2622778524 2.5928053475 H -1.736466935 -1.6926999034 1.2139034473 H 2.789346796 2.5320848623 -4.4650672421 H 2.356325360 0.0613754161 -4.2439515116 H 1.736734919 4.0764014428 -2.8217261962 H 0.910481210 -0.7336670217 -2.3947944421 H -0.303827285 -1.2578921923 -0.7613470721 66 TS 6 N 2.20130 2.93770 0.95680 C -1.19570 1.16520 0.61520 N -0.62240 1.86430 1.62790 C -0.67500 1.38270 2.88020 C -1.34050 0.20360 3.20070 C -1.97280 -0.50120 2.17790 C -0.34260 2.77820 -3.20900 C -1.11490 1.61930 -3.15340 C -0.98610 1.70740 -0.74840 N -0.26640 2.84980 -0.81720 C 0.05330 3.36500 -2.01110 Rh 0.19250 3.79100 1.11630 C 0.71380 5.54250 2.25250 C -0.51840 4.99950 2.74480 C -1.48320 5.07870 1.65190 C -0.96490 6.06980 0.69200 C 0.48740 5.97760 0.88040 C 1.98390 5.73200 3.01840 C -0.82700 4.57330 4.14490 C -2.92660 4.67800 1.71470 C 1.48050 6.68420 0.00860 C -1.69420 7.32330 0.28710 H -1.66650 8.00400 1.14990 H -1.21080 7.82230 -0.55540 H -1.91410 5.06590 -1.22170 H -2.73930 7.12000 0.04480 C -1.43940 1.07770 -1.91220 C -1.88930 -0.02070 0.87370 H 2.85810 5.61410 2.37510 H 2.01270 6.74390 3.44070 H 2.06320 5.02130 3.84360 H -1.61430 3.81700 4.17240 H 0.05640 4.18390 4.65690 H -1.18520 5.43690 4.71870 H -3.31010 4.47610 0.71040 H -3.06360 3.77960 2.32080 H -3.53720 5.47550 2.15680 H 1.21410 6.57580 -1.04760 H 1.51010 7.75810 0.23120 H 2.48770 6.28640 0.14770 H -0.16910 1.96690 3.63900 H -1.36060 -0.14530 4.22730 H -2.51270 -1.41910 2.38800 H -0.04880 3.22010 -4.15500 H -1.45030 1.13250 -4.06390 H 0.64080 4.27710 -1.99420 H -2.02610 0.16880 -1.85830 H -2.35640 -0.57210 0.06700 N -4.61220 4.72500 -3.47940 C -5.29350 3.45740 -3.20320 H -5.34890 2.86900 -4.12360 H -4.74040 2.90770 -2.44340 H -6.31010 3.65520 -2.84950 C -5.17570 5.55540 -4.54930 H -5.15990 5.00330 -5.49340 H -6.21040 5.81620 -4.30850 H -4.59560 6.47310 -4.66380 C -3.56080 5.11520 -2.77520 H -3.13720 6.08300 -3.07290 O -3.05190 4.45130 -1.82890 H -1.22310 5.42610 -0.75400 C 3.24480 2.43950 0.89240 C 4.55470 1.80630 0.80950 H 4.45500 0.80680 0.37590 H 5.21960 2.40410 0.17930 H 4.99100 1.71950 1.80910 55 TS 5 C -0.09085373 1.0168029335 0.5081512229 N -1.12789906 1.8908816391 0.5019922652 C -2.18491747 1.6957721959 1.3070505295 C -2.26437196 0.6074348521 2.1692497321 C -1.20853510 -0.3033749091 2.1892042538 C -0.11222542 -0.0954498674 1.3549683794 H -2.97945242 2.4310814334 1.2468075175 H -3.13763740 0.4788316975 2.7992005201 H -1.237662514 -1.1683529844 2.8440740856 H 0.712725526 -0.7964605275 1.3653382070 C 2.967851277 2.0412226362 -2.2423925966 C 3.124753819 0.8698868791 -1.5021105621 C 2.141807165 0.5066574825 -0.5838707542 C 1.018543065 1.3229862525 -0.4200502465 N 0.885096901 2.4621633577 -1.1429537740 C 1.826275952 2.8085430091 -2.0342921454 H 3.705918155 2.3541215950 -2.9726406104 H 3.997762153 0.2404463848 -1.6426287560 H 2.249318515 -0.4077381225 -0.0142884013 H 1.649197962 3.7204355401 -2.5916647967 Rh -0.976437475 3.5775796948 -0.8390898343 C -0.276599250 6.2831948995 -1.5848479558 C -0.871474341 6.8410619420 -0.4206051209 C -2.088706165 6.1915003129 -0.2172618108 C -2.341706732 5.2552229584 -1.3452187166 C -1.166878555 5.2985522682 -2.1930176825 X -1.4012040 5.5398570037 -1.2226380026 C 1.051478463 6.6750422377 -2.1098289296 H 1.402826413 6.0279851120 -2.9139643001 H 0.987333860 7.6975073307 -2.5124074662 H 1.800049911 6.7163937748 -1.3099283154 C -0.211260772 7.8554903687 0.4601961726 H -0.812329564 8.0878800700 1.3407251575 H 0.771633423 7.5062389554 0.7975177085 H -0.046506453 8.7938225991 -0.0799134368 C -3.035610810 6.3562679007 0.9116399556 H -3.443863513 5.3897710615 1.2241772613 H -2.587433069 6.8536102280 1.7726203550 H -3.893277418 6.9620751438 0.5841125204 C -3.757628598 5.0511145365 -1.8368667859 H -3.811212112 4.3268274648 -2.6512926495 H -4.423531272 4.7196989363 -1.0365440864 H -4.143319364 6.0062000744 -2.2149832566 C -1.141062264 5.0175610393 -3.6786796726 H -1.890635070 4.2754424808 -3.9591389378 H -1.350130810 5.9336626880 -4.2434280969 H -0.168683824 4.6419301960 -4.0084235994 H -2.388818399 3.0920197473 -1.2059847821 H -1.450592254 2.8005129687 -2.0803986020 N 0.104374474 4.4742861912 1.0409502955 C 0.652001343 4.8009035093 2.0079275760 C 1.335727673 5.2204007230 3.2250652567 H 1.110793332 4.5215620975 4.0364987220 H 2.416919922 5.2377711880 3.0586658767 H 1.002571653 6.2218638211 3.5145631131 70 TS 4 C -0.82610 1.12470 -1.07140 N -1.28320 2.05850 -0.19350 C -2.26830 1.74570 0.66740 C -2.86720 0.49110 0.68160 C -2.42120 -0.47290 -0.22210 C 2.32930 2.57750 -3.49940 C 1.92500 1.25580 -3.68520 C 0.27610 1.56230 -1.95300 N 0.67740 2.85110 -1.79070 C 1.68170 3.34260 -2.53560 Rh -0.32360 3.91720 -0.28010 C 0.60580 5.85110 0.38110 C -0.34030 5.40860 1.39890 C -1.63790 5.43970 0.82540 C -1.59600 6.07840 -0.52510 C -0.14340 6.20600 -0.77440 C 2.08130 6.03690 0.58040 C 0.00360 5.06970 2.81880 C -2.90630 5.17460 1.57590 C 0.41540 6.80410 -2.02560 C -2.42740 7.38210 -0.64610 H -3.49590 7.18370 -0.54100 H -2.13130 8.07850 0.14570 H -2.25860 5.43080 -1.56270 H -2.26490 7.87070 -1.60700 C 0.89120 0.74430 -2.90350 C -1.39110 -0.15250 -1.10320 H 2.63420 5.92820 -0.35540 H 2.28000 7.04470 0.96270 H 2.48780 5.32110 1.29670 H -0.67190 4.31770 3.23200 H 1.02420 4.69550 2.91370 H -0.08320 5.96920 3.43960 H -3.65900 4.68660 0.95380 H -2.74220 4.57320 2.47260 H -3.33220 6.13000 1.90890 H -0.11400 6.45020 -2.91430 H 0.29190 7.89440 -1.98520 H 1.48330 6.61380 -2.14760 H -2.57070 2.52550 1.35430 H -3.65920 0.27920 1.39140 H -2.86350 -1.46390 -0.23790 H 3.13420 3.01110 -4.08260 H 2.41050 0.62760 -4.42510 H 1.96140 4.37090 -2.34420 H 0.57530 -0.28380 -3.03260 H -1.03130 -0.89520 -1.80480 N -3.07280 4.95100 -2.61470 C -4.20040 4.35870 -1.83400 C -5.48810 3.99820 -2.57660 H -4.44740 5.09250 -1.05980 H -3.78900 3.48130 -1.32200 H -6.18480 3.55070 -1.86110 H -5.97550 4.88550 -2.98700 H -5.33230 3.28260 -3.38430 C -3.43970 6.11370 -3.48480 C -3.91630 5.80120 -4.90460 H -2.54610 6.74410 -3.54740 H -4.19680 6.68550 -2.94160 H -4.16560 6.74460 -5.39920 H -3.13500 5.32180 -5.50060 H -4.80550 5.17040 -4.92570 C -2.15540 3.97640 -3.24680 C -2.74270 2.76420 -3.97070 H -1.51580 3.61080 -2.43370 H -1.50290 4.54210 -3.91970 H -1.91670 2.16850 -4.37270 H -3.31120 2.12140 -3.29300 H -3.38680 3.04500 -4.80520 H 0.71610 3.25470 0.61040 60 TS 3 C -0.16400 0.30180 0.15650 N -0.74410 1.50990 -0.06070 C -2.05970 1.67740 0.15470 C -2.86170 0.65180 0.64430 C -2.27700 -0.58700 0.90480 C -0.91940 -0.76620 0.64800 H -2.46430 2.65010 -0.09160 H -3.91830 0.82680 0.81520 H -2.87000 -1.40830 1.29450 H -0.45970 -1.72960 0.83000 C 3.91000 0.21670 -1.01280 C 3.35890 -0.95580 -0.49710 C 2.02600 -0.95950 -0.09210 C 1.26940 0.21070 -0.19730 N 1.82800 1.35030 -0.68110 C 3.10810 1.35070 -1.08910 H 4.93900 0.25840 -1.35250 H 3.95500 -1.85930 -0.41760 H 1.58370 -1.86790 0.29840 H 3.48440 2.28440 -1.48960 Rh 0.57330 3.07300 -0.65570 C 1.79140 4.32790 0.73960 C 0.42220 4.36320 1.16500 C -0.36750 4.93320 0.08490 C 0.53160 5.27660 -0.98320 C 1.86290 4.86590 -0.60820 C 2.95920 3.85700 1.54410 H 3.71370 3.37460 0.91870 H 3.43710 4.71730 2.02840 H 2.66120 3.15690 2.32610 C -0.11100 3.93760 2.49490 H -1.10890 3.50190 2.40640 H 0.54010 3.20940 2.98130 H -0.18950 4.81010 3.15490 C -1.82630 5.26770 0.12210 H -2.31150 5.00740 -0.82230 H -2.34000 4.75620 0.93840 H -1.95450 6.34480 0.28280 C 0.13450 5.94870 -2.25680 C 3.11670 5.13570 -1.38140 H 2.96340 5.02170 -2.45670 H 3.44870 6.16520 -1.20060 H 3.93410 4.47950 -1.07520 H 0.33200 2.69160 -2.34000 H -0.56740 2.84120 -2.35100 H 0.86970 5.78930 -3.04730 H -0.83810 5.59230 -2.60190 H 0.05870 7.02920 -2.08120 N -2.45120 1.67190 -4.37600 C -1.35110 0.75610 -4.06850 H -0.44180 1.04520 -4.60600 H -1.15610 0.76160 -2.99470 H -1.63440 -0.25280 -4.37480 C -3.27670 1.36000 -5.55040 H -2.65030 1.32740 -6.44670 H -3.76020 0.38840 -5.41590 H -4.04370 2.12440 -5.68410 C -2.65940 2.76600 -3.65390 H -3.52740 3.36330 -3.95800 O -1.97460 3.14840 -2.66770 49 Complex 6 C -0.54817366 0.7365038412 0.5701145604 N -0.86797983 2.0143078861 0.9064972281 C -1.72503343 2.2515584660 1.9151631342 C -2.29055991 1.2242414826 2.6621617207 C -1.95378079 -0.0918348322 2.3473715029 C -1.08085480 -0.3364445233 1.2891630274 H -1.96009514 3.2896319920 2.1156947072 H -2.97818717 1.4573166234 3.4676165972 H -2.370589065 -0.9198627806 2.9118435185 H -0.823793440 -1.3557810893 1.0281301283 C 1.949774573 0.5116738887 -2.8498349060 C 1.563228043 -0.6852517551 -2.2477902884 C 0.752243898 -0.6466187442 -1.1155701858 C 0.348441937 0.5854938730 -0.5952266503 N 0.753748280 1.7432185396 -1.1812644776 C 1.522515460 1.7079926733 -2.2843183469 H 2.567258444 0.5252207909 -3.7411519425 H 1.880595368 -1.6388441347 -2.6575436013 H 0.435203600 -1.5714502891 -0.6499257120 H 1.789649993 2.6641418384 -2.7179762894 Rh 0.134484524 3.5336597257 -0.2039655395 C 2.153320138 4.2848215086 0.3155536566 C 1.285917136 4.3983861667 1.4675544968 C 0.212069278 5.3120412353 1.1333282729 C 0.434956223 5.7679466674 -0.2153927470 C 1.611423068 5.1140166398 -0.7384463980 X 1.9820138 4.8506275667 1.0057932324 C 3.418060793 3.4967489924 0.2449694090 H 3.608265349 3.1195442349 -0.7615576240 H 4.258515392 4.1486758443 0.5162891614 H 3.413490723 2.6550719919 0.9388986144 C 1.502808097 3.7511752691 2.7947252547 H 0.560796522 3.5517875009 3.3086239818 H 2.056729384 2.8149819903 2.7071623286 H 2.089038746 4.4276130494 3.4293898502 C -0.830695137 5.8348435123 2.0712616623 H -1.788680455 5.9950479258 1.5710379615 H -0.984800786 5.1704149468 2.9232861176 H -0.505102425 6.8013311941 2.4742563160 C -0.398360503 6.7652679530 -0.9471300278 C 2.251285327 5.3936190278 -2.0629851874 H 1.511044733 5.5237741820 -2.8557265325 H 2.833752609 6.3209852578 -2.0010450950 H 2.943341021 4.6021997755 -2.3569248400 H -1.109349820 3.5423236570 -1.6776823851 H -1.584719912 3.6445810783 -1.0636793845 H -0.385603035 6.5995030022 -2.0260374089 H -1.432986120 6.7725945704 -0.5996827685 H 0.017520271 7.7653681260 -0.7642874242 53 Complex 7 C -0.68052643 1.3353008702 0.3518031787 N -1.37398913 2.3739149429 -0.1812069573 C -2.71689149 2.3690506748 -0.1654341781 C -3.44503059 1.3383948006 0.4193261091 C -2.74923751 0.2807043667 1.0042952664 C -1.35651181 0.2755444746 0.9618666700 H -3.20546225 3.2154416275 -0.6333753566 H -4.52890962 1.3715168900 0.4156301580 H -3.282238932 -0.5364188457 1.4799857945 H -0.807542077 -0.5506564673 1.3962910976 C 3.492140292 1.6459801793 -0.3205389366 C 3.034631515 0.5505335070 0.4101739634 C 1.669585327 0.4229769482 0.6599521474 C 0.788163126 1.4016404116 0.1944463116 N 1.254620446 2.4816321725 -0.4835104739 C 2.565323495 2.5906391866 -0.7506346530 H 4.543518601 1.7746525521 -0.5533153734 H 3.727866338 -0.2012051800 0.7738973497 H 1.301721164 -0.4331832547 1.2115436228 H 2.869864715 3.4589360775 -1.3223420806 Rh -0.202769116 3.9972215782 -0.8878750358 C 0.993310015 5.8431344562 -0.4586001575 C 0.288050911 5.3793308095 0.7299558788 C -1.125628346 5.5069275581 0.4784796490 C -1.305357457 5.9168512154 -0.8874104552 C 0.017800220 6.1578772622 -1.4501296549 X -0.2947968 6.0303185864 -0.4644755867 C -0.525683394 2.8131515454 -3.9742926475 N -0.425228999 3.2335653648 -2.9001582745 C -0.647047301 2.2844035654 -5.3262236101 H -0.373558213 1.2247779618 -5.3341630543 H -1.678043881 2.3916661063 -5.6767695773 H 0.020145580 2.8313005316 -5.9997633569 C 2.469315971 6.0520954989 -0.5597321248 H 2.833937296 5.9430404288 -1.5836320252 H 2.706293996 7.0733654861 -0.2363896535 H 3.024245075 5.3731355638 0.0905750990 C 0.922920738 5.0230763589 2.0371825464 H 0.279911102 4.3710784357 2.6313381627 H 1.882807815 4.5219189844 1.8946149578 H 1.106289629 5.9332568053 2.6214285035 C -2.202303743 5.2551638639 1.4812214422 H -3.168004123 5.0636268241 1.0122267361 H -1.958469101 4.4217531086 2.1434380860 H -2.313170393 6.1502762728 2.1061174801 C -2.606119946 6.2342696704 -1.5550137789 H -2.559288071 6.0545388637 -2.6306726584 H -3.431523978 5.6477068001 -1.1450559957 H -2.852489139 7.2917405347 -1.4030878188 C 0.284541757 6.6937354238 -2.8172969340 H -0.450046120 6.3340629069 -3.5402746880 H 0.215138685 7.7883541883 -2.7913414384 H 1.283001980 6.4314565272 -3.1709781178 53 Complex 1, CF3 C -1.74229292 3.5273411647 -0.8266051750 N -0.44565123 3.8443314279 -1.1877453027 C -0.25200197 4.4100904268 -2.4146170304 C -1.27066888 4.6800494359 -3.2952671946 C -2.59838006 4.3615046515 -2.9244964711 C -2.82000815 3.7865303343 -1.6912126618 H 0.77517852 4.6467422072 -2.6605381484 H -1.05244332 5.1358634771 -4.2545877094 H -3.829253841 3.5362632011 -1.3895016329 C -1.835810563 1.7721134255 2.9838704767 C -3.069969803 1.9384336332 2.3124487776 C -3.068152363 2.5137040857 1.0592966874 C -1.859221396 2.9261503295 0.4716764099 N -0.653983742 2.7687750265 1.1316926664 C -0.682239681 2.1931099228 2.3688663424 H -1.793520221 1.3272635207 3.9717418151 H -4.002822369 2.6504295110 0.5294102277 H 0.278873355 2.0888346116 2.8554210046 Rh 1.010377606 3.4104824971 0.1590932891 C 2.789111547 3.3295911135 1.5624423807 C 2.843363332 4.6116768378 0.9207877004 C 2.960970198 4.3724554460 -0.4870638133 C 3.083885745 2.9462698590 -0.7057986750 C 2.983794015 2.3011468853 0.5638686333 C 2.764589383 3.1093692269 3.0481637181 H 2.449933896 2.0937053886 3.3053533171 H 3.764814802 3.2483487586 3.4787665154 H 2.092353087 3.8100337430 3.5525520793 C 2.827568613 5.9483726814 1.6011461335 H 2.394901490 6.7205507804 0.9592181403 H 2.244452660 5.9236803834 2.5262015856 H 3.844478886 6.2739971994 1.8650465303 C 3.140975049 5.4374012620 -1.5319771502 H 2.957596359 5.0545230866 -2.5400120304 H 2.471960045 6.2876683557 -1.3673319584 H 4.169020590 5.8230463843 -1.5232437852 C 3.346461810 2.2808923270 -2.0251067777 H 3.022383488 1.2369991649 -2.0183273227 H 2.818643083 2.7803385844 -2.8429786092 H 4.416629929 2.2934640636 -2.2735640496 C 3.123039503 0.8310153277 0.8330716954 H 2.851613064 0.2354934347 -0.0425458359 H 4.155901909 0.5701423521 1.1027083417 H 2.482229065 0.5066656259 1.6586349598 X 2.9622909 3.5224710548 0.3765053061 C -4.336618462 1.4564950763 2.9536790337 F -5.437992107 1.8965792765 2.3075386533 F -4.401564414 0.1035676319 2.9765895997 F -4.426559257 1.8651826124 4.2415795423 C -3.722662658 4.6280365988 -3.8796396108 F -4.933480151 4.4350767331 -3.3132466612 F -3.687656523 5.8992053273 -4.3442544387 F -3.655944791 3.8223652766 -4.9664749019 54 Complex 2, CF3 C -0.47543571 1.1361877119 1.1425481795 N -1.12794170 2.3125240886 0.9663279570 C -2.44173212 2.3862728609 1.2458410359 C -3.17139714 1.2928399751 1.6909598317 C -2.50943082 0.0763173622 1.8644385258 C -1.15041267 -0.0019434635 1.5953832812 H -2.90319532 3.3565481399 1.1142237129 H -4.22980040 1.3921222226 1.9041539705 H -0.632165902 -0.9406424977 1.7401602349 C 3.645891801 1.3964597235 0.2377813572 C 3.146699140 0.1604268451 0.6511737515 C 1.799212329 0.0398998962 0.9588937853 C 0.966146595 1.1569025764 0.8362919160 N 1.457043341 2.3520763043 0.4239373935 C 2.767255943 2.4660403102 0.1432141188 H 4.695381140 1.5281496297 -0.0007469309 H 1.411812391 -0.9156075487 1.2870026411 H 3.107372530 3.4497893528 -0.1538263339 Rh 0.054043224 3.9216194613 0.2671933253 C 0.967182606 5.5595443486 -0.9077898169 C -0.054878750 6.1207736320 -0.0721912944 C -1.297717834 5.5177741015 -0.4574478279 C -1.059624522 4.6999608566 -1.6511950096 C 0.319194433 4.7258951300 -1.9254073806 C 2.405522084 5.9837955139 -0.9279428519 H 3.037501079 5.2539117013 -1.4405327799 H 2.512429742 6.9312280551 -1.4703228454 H 2.796073149 6.1351260518 0.0814974597 C 0.132709959 7.1857774401 0.9660767236 H -0.608762833 7.1065662828 1.7633776486 H 1.124521069 7.1361684622 1.4195159790 H 0.023561800 8.1736792300 0.5014646975 C -2.647978448 5.8883760105 0.0786848064 H -3.397733104 5.1255208458 -0.1471037113 H -2.623907362 6.0444417382 1.1600866714 H -2.995146291 6.8207503926 -0.3832855857 C -2.134571519 3.9736625026 -2.4002519504 H -1.721824097 3.2518163660 -3.1074292712 H -2.799668880 3.4328190982 -1.7189256828 H -2.754643039 4.6808153952 -2.9639760619 C 1.051855467 4.0340400884 -3.0337856531 H 0.424378497 3.2990569630 -3.5412032910 H 1.391120641 4.7610603372 -3.7812275265 H 1.941627414 3.5154478160 -2.6612571329 H 0.360185290 4.1941781532 1.7751437193 X -0.2321852 5.3433726857 -1.0214901344 C -3.284897402 -1.1355821821 2.3393179787 F -2.478098735 -2.1957373215 2.5262682274 F -3.909441394 -0.8645042759 3.4981022924 F -4.220843383 -1.4706992660 1.4334147603 C 4.087185236 -1.0221135658 0.7556378524 F 3.447468639 -2.1275218226 1.1761506793 F 4.639120046 -1.2804563068 -0.4434825839 F 5.082098199 -0.7513348063 1.6178544316 54 Complex 3, CF3 C 0.09030 1.29740 0.69140 N -0.68700 2.39220 0.89750 C -1.52540 2.40650 1.94740 C -1.64000 1.34350 2.83660 C -0.85050 0.21530 2.62480 C 0.02310 0.19220 1.54220 H -2.12490 3.29960 2.06610 H -2.33850 1.39500 3.66390 H 0.62310 -0.69040 1.36080 C 2.55370 1.60360 -2.73790 C 2.74810 0.51490 -1.89120 C 1.95100 0.38750 -0.75760 C 0.97920 1.35330 -0.48960 N 0.80670 2.42480 -1.30740 C 1.57340 2.53220 -2.40570 H 3.15610 1.73840 -3.62890 H 2.10870 -0.44720 -0.08650 H 1.39140 3.39730 -3.02990 Rh -0.56190 3.89950 -0.60830 C -0.18570 5.90230 -1.37780 C -0.87020 5.99970 -0.08410 C -2.16010 5.43760 -0.23870 C -2.49790 5.33600 -1.72310 C -1.08160 5.28350 -2.28500 Xx -1.05340 5.65070 -0.97140 C 1.17960 6.45050 -1.67090 H 1.62740 5.97940 -2.54910 H 1.11440 7.52600 -1.87990 H 1.86250 6.31840 -0.82840 C -0.29840 6.64910 1.14080 H -0.77580 6.28560 2.05360 H 0.77740 6.47880 1.22880 H -0.46000 7.73400 1.09650 C -3.23150 5.38420 0.81030 H -3.85580 4.49130 0.69840 H -2.82900 5.40850 1.82670 H -3.89930 6.25050 0.71470 C -3.34170 6.51870 -2.25760 H -3.50820 6.42030 -3.33460 H -4.32310 6.54060 -1.77440 H -2.84060 7.47380 -2.06900 C -0.83900 5.01030 -3.73940 H -1.29000 4.06000 -4.04400 H -1.30350 5.79480 -4.35130 H 0.22190 4.99350 -4.00050 H -3.04070 4.40610 -1.94290 C -0.90830 -0.95660 3.58520 F -0.53970 -2.09830 2.97650 F -0.07480 -0.74940 4.61970 F -2.14860 -1.11480 4.07480 C 3.77920 -0.54700 -2.21880 F 4.24810 -1.12360 -1.09750 F 3.22880 -1.50900 -2.98040 F 4.81420 -0.02110 -2.89340 55 Complex 1, OMe C -1.74959431 3.5083781615 -0.7777337558 N -0.47467434 3.8872774258 -1.1322253114 C -0.32222510 4.5022473364 -2.3384718743 C -1.35745660 4.7593677889 -3.2030329474 C -2.66919249 4.3727405355 -2.8406448007 C -2.85568861 3.7463846577 -1.6213244955 H 0.69088478 4.7919572038 -2.5872677445 H -1.18443063 5.2530391978 -4.1525550120 H -3.839009669 3.4319793821 -1.2990496081 C -1.745129718 1.6282765090 2.9828590534 C -2.987970013 1.7493301613 2.3228814964 C -3.014644777 2.3692663231 1.0837596134 C -1.832735834 2.8586344305 0.5062031102 N -0.616433324 2.7385088287 1.1539256021 C -0.617443691 2.1300497625 2.3656731126 H -1.649644225 1.1565396648 3.9527836461 H -3.966163919 2.4624718723 0.5734318137 H 0.348605326 2.0553818975 2.8494341377 Rh 1.030715993 3.4549995140 0.1803613950 C 2.843637111 3.3935224394 1.5514803886 C 2.892980684 4.6709821364 0.9056737214 C 2.974150010 4.4191395617 -0.5018788417 C 3.118879765 2.9908234820 -0.7140517229 C 3.039238914 2.3566586484 0.5557361323 C 2.841397687 3.1772160538 3.0383785989 H 2.507106599 2.1692076099 3.3034583347 H 3.850640918 3.2931043241 3.4562017939 H 2.191414474 3.8928911505 3.5515209856 C 2.896074256 6.0127041432 1.5778942633 H 2.450265482 6.7834473285 0.9419360850 H 2.331614540 5.9960187686 2.5152629454 H 3.918153079 6.3420623011 1.8201303451 C 3.134104622 5.4725566375 -1.5619047814 H 2.888332262 5.0893421874 -2.5570965507 H 2.498418874 6.3429140825 -1.3705318457 H 4.171894067 5.8291615316 -1.6102366411 C 3.365572402 2.3257809600 -2.0370892997 H 3.081968246 1.2699035450 -2.0133189639 H 2.790207640 2.7972656833 -2.8400756084 H 4.425277579 2.3760645074 -2.3257754375 C 3.185947224 0.8894275756 0.8399499633 H 2.947127325 0.2852224633 -0.0398368174 H 4.211103904 0.6353576194 1.1457884520 H 2.520476831 0.5632438340 1.6461592029 X 2.9622909 3.5224710548 0.3765053061 O -4.178390546 1.2984816505 2.8124496642 O -3.646648068 4.6595891593 -3.7438880771 C -4.183724757 0.6557054354 4.0780566473 H -5.221973302 0.3798186226 4.2706017456 H -3.565847174 -0.2516726547 4.0757140390 H -3.836024292 1.3251987109 4.8755117559 C -4.978520763 4.2901232344 -3.4209843453 H -5.593766926 4.6062437891 -4.2649395829 H -5.074941629 3.2043930127 -3.2890517069 H -5.326953852 4.7940027199 -2.5098405864 56 Complex 2, OMe C -1.67757414 3.4824071474 -0.8055391285 N -0.49800756 4.0941470528 -1.0649669970 C -0.35629489 4.7659740680 -2.2260322065 C -1.35146686 4.8349880235 -3.1798362525 C -2.57500502 4.1881946705 -2.9321855844 C -2.73466557 3.5090968523 -1.7170896732 H 0.59324123 5.2646042729 -2.3726779533 H -1.20874853 5.3796293385 -4.1056523258 H -3.663588809 3.0098305525 -1.4822277041 C -1.728006944 1.6482808147 3.0178865933 C -2.887095063 1.5427618474 2.2337860280 C -2.889570605 2.1416332398 0.9643038067 C -1.759498761 2.8059500993 0.5089537562 N -0.635114035 2.8886308065 1.2724567441 C -0.640303947 2.3329739993 2.4931021175 H -1.659993535 1.2233243097 4.0106598273 H -3.791548200 2.0664223160 0.3706084614 H 0.267091572 2.4520293577 3.0721674150 Rh 1.012507678 3.8708242778 0.3935309416 C 2.835427077 3.2832270461 1.4969765091 C 3.082585421 4.5402027190 0.8522508027 C 2.957671664 4.3248397314 -0.5598328341 C 2.799747496 2.8849691126 -0.7910523550 C 2.726197716 2.2518106984 0.4598184925 C 2.961831719 3.0130563289 2.9670077720 H 2.446977770 2.0920601229 3.2535158647 H 4.015446931 2.8872893240 3.2441362693 H 2.557571229 3.8348821874 3.5633697915 C 3.457689878 5.8259897236 1.5265810890 H 3.122557042 6.6928401265 0.9536497121 H 3.025953302 5.8956497121 2.5269896237 H 4.548655170 5.8875575163 1.6247660502 C 3.234190280 5.3409855859 -1.6277195515 H 2.792677631 5.0510576434 -2.5848044497 H 2.850658796 6.3271135129 -1.3540787174 H 4.314206551 5.4378391328 -1.7920109734 C 2.709328478 2.2591324057 -2.1498615956 H 2.386722785 1.2174436832 -2.0973128292 H 1.999907599 2.7966952312 -2.7880782438 H 3.683091207 2.2851425643 -2.6533073676 C 2.537719659 0.7930396848 0.7465497658 H 2.274681673 0.2322418319 -0.1524715305 H 3.456111658 0.3580487811 1.1585596276 H 1.744061555 0.6331728223 1.4844325861 X 2.9737772 3.5662252536 0.3593919355 O -4.015808533 0.9173837272 2.5903876243 O -3.502954750 4.2812817976 -3.8924990768 C -4.088173752 0.2861016908 3.8767017918 H -5.084867755 -0.1501753527 3.9323870234 H -3.335282478 -0.5047300314 3.9682348863 H -3.962526848 1.0195347477 4.6808737846 C -4.774492082 3.6470090452 -3.7059085042 H -5.342545021 3.8583726521 -4.6111615151 H -4.659900290 2.5630284743 -3.5902438276 H -5.298899252 4.0644293191 -2.8387154311 H 0.437875135 5.1720791843 1.0318666611 56 Complex 3, OMe C -1.74879094 3.4705511357 -0.8169661522 N -0.50986357 3.8801725206 -1.1849844378 C -0.37134904 4.5040778274 -2.3736997274 C -1.42243979 4.7427534415 -3.2360181296 C -2.70915506 4.3184905892 -2.8647138054 C -2.86463365 3.6732459532 -1.6298538342 H 0.63196935 4.8211445975 -2.6265870274 H -1.27205744 5.2473015463 -4.1832435887 H -3.838901119 3.3352778866 -1.3080192497 C -1.804595228 1.5819895717 2.9855283238 C -3.019584739 1.6876432866 2.2947877688 C -3.016615554 2.3099137439 1.0349873658 C -1.831959878 2.7978578850 0.5040219498 N -0.652172292 2.6864774722 1.1788330092 C -0.663464165 2.0953646149 2.3832887043 H -1.730709800 1.1188310945 3.9608576525 H -3.959613882 2.3887616304 0.5094550327 H 0.292222127 2.0342143565 2.8884982878 Rh 1.067309729 3.4342464527 0.1721624449 C 2.775960406 3.5187523804 1.6141761173 C 3.148691845 4.8734106203 1.0192905615 C 2.904500392 4.5511018778 -0.4523613156 C 3.053465442 3.1582410035 -0.6651272451 C 2.971359705 2.5036376462 0.6451113292 C 2.689911567 3.3238855870 3.0994793731 H 2.413020998 2.3035494316 3.3780998738 H 3.663451235 3.5252994044 3.5657880699 H 1.971700305 4.0171623089 3.5503828157 C 4.592947588 5.3266245570 1.3366579521 H 4.822344665 6.2725689868 0.8367222362 H 4.723061880 5.4850362835 2.4116125160 H 5.319612754 4.5765814216 1.0075179516 C 2.976251612 5.6219465184 -1.5011017750 H 2.784562581 5.2428118322 -2.5083463305 H 2.269090761 6.4317730469 -1.2917056653 H 3.978394154 6.0702636038 -1.5171687224 C 3.322667853 2.4539491440 -1.9621912981 H 2.839087768 1.4747943557 -2.0016292286 H 2.976443676 3.0365425964 -2.8191935478 H 4.401904246 2.2974426633 -2.0881804346 C 3.146237395 1.0325819132 0.8839209001 H 2.708776858 0.4348980555 0.0804116340 H 4.214104958 0.7842170057 0.9396142675 H 2.690186319 0.7180507369 1.8257616954 X 2.9737772 3.5662252536 0.3593919355 O -4.205364772 1.2450833337 2.7293513086 O -3.696431112 4.5701237345 -3.7324222397 C -4.285430788 0.5975242959 4.0065148265 H -5.334090391 0.3313776431 4.1332427001 H -3.671480304 -0.3091124470 4.0245609873 H -3.979052709 1.2763312320 4.8093555816 C -5.033952838 4.1639565455 -3.4187435756 H -5.640266655 4.4755488380 -4.2684065908 H -5.097460057 3.0764377447 -3.3033201018 H -5.392929584 4.6614196215 -2.5111581105 H 2.460156460 5.6553918854 1.3674405650 63 Complex 1, NMe2 C -1.73732837 3.6523278625 -0.7458842002 N -0.44540647 3.9436059078 -1.1222952768 C -0.28357767 4.5263819504 -2.3376848002 C -1.31389492 4.8385749028 -3.1932888218 C -2.65889806 4.5617084002 -2.8183163947 C -2.83210942 3.9519953030 -1.5735281570 H 0.74048089 4.7442766784 -2.6158304488 H -1.07232278 5.2976716405 -4.1433921289 H -3.822323790 3.6923957908 -1.2271350603 C -1.799982732 1.7449817038 2.9899654299 C -3.066166050 1.9436505675 2.3703289312 C -3.043930785 2.5816006278 1.1277171298 C -1.838588344 3.0064089344 0.5442249003 N -0.625146753 2.8106385232 1.1652471073 C -0.654078839 2.1858791003 2.3702288187 H -1.708723440 1.2510227249 3.9489261067 H -3.963233149 2.7496461335 0.5843538347 H 0.310466015 2.0415753701 2.8420439511 Rh 1.052837836 3.4202257147 0.1654461311 C 2.889342043 3.2255912841 1.4954956859 C 3.004348687 4.5103255312 0.8717373016 C 3.039194490 4.2799838475 -0.5404512605 C 3.097658792 2.8487266650 -0.7802395397 C 3.010509359 2.1972231774 0.4789530790 C 2.901118154 2.9815149633 2.9782154589 H 2.497699590 1.9961231417 3.2322519976 H 3.923650659 3.0154122684 3.3785389234 H 2.314621992 3.7325878947 3.5165758152 C 3.098602095 5.8365931994 1.5672951879 H 2.686237243 6.6423687863 0.9528800299 H 2.550476653 5.8362162579 2.5145211191 H 4.141969715 6.1036888772 1.7964688776 C 3.233140937 5.3424650382 -1.5858660609 H 2.939973268 4.9928598770 -2.5807042824 H 2.651631760 6.2427614845 -1.3629644129 H 4.287695028 5.6420759009 -1.6565535775 C 3.279424896 2.1942650104 -2.1196940045 H 2.926083508 1.1591095218 -2.1099358645 H 2.725121331 2.7170976643 -2.9062433697 H 4.335476949 2.1787082965 -2.4261078108 C 3.079131602 0.7191125359 0.7352960193 H 2.783685796 0.1453881615 -0.1479006235 H 4.094661228 0.3991803838 1.0108440520 H 2.415520239 0.4179147266 1.5526597704 X 2.9737770 3.5662250000 0.3593920000 C -4.185918005 0.5716886841 4.0676799017 H -5.196771422 0.3890366904 4.4380186396 H -3.750362625 -0.3947337390 3.7665636846 H -3.599962363 0.9621510432 4.9060142851 C -3.478008499 5.1770402810 -5.0470354830 H -4.420546662 5.4444927318 -5.5290517937 H -2.802003830 6.0303130257 -5.1630812534 H -3.045000343 4.3212464467 -5.5896331512 N -4.248725284 1.5355604260 2.9800376358 N -3.729272773 4.8967101870 -3.6420526034 C -5.055108385 4.4245014846 -3.2850570785 H -5.780933627 4.8218652309 -3.9975248573 H -5.139425381 3.3247989690 -3.2829446646 H -5.338912787 4.7869987654 -2.2907475146 C -5.481146591 1.5933704172 2.2143034701 H -6.314524705 1.2945468123 2.8535017309 H -5.677881139 2.6168138418 1.8760725992 H -5.473386343 0.9376798068 1.3275062221 64 Complex 2, NMe2 C -1.72780367 3.5523594654 -0.8217549635 N -0.46526352 3.8942060582 -1.1971912736 C -0.31497143 4.5118764367 -2.3845206260 C -1.35549638 4.8160568507 -3.2374072346 C -2.68116724 4.4710339326 -2.8725771750 C -2.82940225 3.8219834242 -1.6208103396 H 0.70053990 4.7742474982 -2.6532674274 H -1.13420261 5.3153862530 -4.1711160425 H -3.813016400 3.5337416247 -1.2818974594 C -1.837280311 1.6625152976 2.9688103389 C -3.082320955 1.8210029459 2.3097462819 C -3.035591752 2.4538035081 1.0414752349 C -1.830598595 2.8784053122 0.5004928334 N -0.648340698 2.7064667059 1.1521103488 C -0.683903127 2.1109596593 2.3595473737 H -1.764529813 1.1967391784 3.9424021313 H -3.949188039 2.6084980131 0.4870281787 H 0.271414185 1.9950028573 2.8556434487 Rh 1.094814334 3.3701744950 0.1415057363 C 2.808052595 3.3777821148 1.5746734166 C 3.243144251 4.7157125411 0.9846191443 C 2.969373988 4.4132611966 -0.4855815352 C 3.054411652 3.0157197517 -0.7072906781 C 2.954026018 2.3584643891 0.6004845278 C 2.721285772 3.1782417224 3.0594591588 H 2.400612462 2.1694477399 3.3327843765 H 3.704568091 3.3342188086 3.5222328925 H 2.034880110 3.8982767584 3.5180012346 C 4.710178677 5.0974425261 1.2928084099 H 4.981457394 6.0341167619 0.7959258822 H 4.856513674 5.2428758575 2.3676527407 H 5.397525184 4.3151954649 0.9538193516 C 3.081914909 5.4845611909 -1.5306808087 H 2.866734468 5.1175900486 -2.5377797973 H 2.410930417 6.3230744832 -1.3147314794 H 4.102464388 5.8895355880 -1.5520059681 C 3.280973302 2.3090327458 -2.0111672079 H 2.767549635 1.3449842610 -2.0453751826 H 2.935398264 2.9046583830 -2.8596580728 H 4.352391905 2.1216301828 -2.1581187441 C 3.067556217 0.8804167033 0.8327833437 H 2.610805750 0.3054480396 0.0234605933 H 4.123819172 0.5874717812 0.8946310482 H 2.591536354 0.5799407100 1.7694012488 X 3.0082106 3.4123701010 0.3050990533 C -4.250444514 0.7551382222 4.1736142515 H -5.270928501 0.4787789915 4.4364515402 H -3.641460534 -0.1567272267 4.1764638213 H -3.871355652 1.4313907647 4.9494265389 C -3.546559939 5.4276258748 -4.9484671680 H -4.510427867 5.5560235153 -5.4396952872 H -3.101901129 6.4203949343 -4.8086266021 H -2.900556679 4.8460860537 -5.6169912528 N -4.251071782 1.3935074718 2.8593702317 N -3.747152451 4.7458055835 -3.6719440879 C -5.096345402 4.3779045334 -3.2549961488 H -5.803022121 4.6759387503 -4.0287405559 H -5.191880004 3.2944422166 -3.1109430659 H -5.383292448 4.8821648244 -2.3236286206 C -5.512029594 1.5787062997 2.1487669314 H -6.324109631 1.1722276167 2.7505702108 H -5.723119083 2.6406195797 1.9707848473 H -5.512009823 1.0546781224 1.1847662643 H 2.597141022 5.5287296581 1.3426991772 64 Complex 3, NMe2 C -1.67313357 3.6005280029 -0.7949659893 N -0.45442183 4.1342896233 -1.0693536710 C -0.30012744 4.7987146733 -2.2293087032 C -1.30251395 4.9456539314 -3.1658565022 C -2.58288074 4.3859362034 -2.9182168551 C -2.73411720 3.7074021056 -1.6833861167 H 0.67665504 5.2356916366 -2.3972152860 H -1.08714642 5.4970211521 -4.0710127210 H -3.685970415 3.2707584603 -1.4207422646 C -1.777606220 1.7757294792 3.0218149840 C -2.976298494 1.7123860488 2.2648483887 C -2.935271411 2.3230562181 0.9867190695 C -1.774238231 2.9252067647 0.5221684148 N -0.636452084 2.9506550144 1.2639054585 C -0.665631554 2.3948288820 2.4892057198 H -1.708771239 1.3561272916 4.0162723008 H -3.815703662 2.3267128476 0.3618835271 H 0.251538353 2.4640589010 3.0612994376 Rh 1.054065118 3.8300156801 0.3696462076 C 2.853181779 3.1408190127 1.4589931116 C 3.166619333 4.3744198881 0.7980263267 C 3.015729313 4.1527299314 -0.6098477577 C 2.770810680 2.7230777226 -0.8233871748 C 2.673156248 2.1080197003 0.4342917841 C 2.981056191 2.8773868699 2.9302383285 H 2.406595897 1.9976958129 3.2331606178 H 4.026989394 2.6819952174 3.1964555356 H 2.640850713 3.7306459519 3.5225680135 C 3.622319711 5.6439641263 1.4540544851 H 3.331393636 6.5221219278 0.8737429747 H 3.203882987 5.7501608894 2.4570689335 H 4.715951690 5.6453601473 1.5425598516 C 3.340729418 5.1385014176 -1.6929017147 H 2.869071712 4.8625054041 -2.6397408537 H 3.017823960 6.1486953015 -1.4283181705 H 4.422590796 5.1709247666 -1.8721253829 C 2.621300774 2.0919636787 -2.1747647136 H 2.254019784 1.0659647302 -2.1060939335 H 1.918806742 2.6564045283 -2.7973733715 H 3.581797331 2.0711888624 -2.7035208601 C 2.397725306 0.6664028629 0.7381649080 H 2.095685390 0.1133254361 -0.1535689940 H 3.289600277 0.1793438899 1.1505014938 H 1.598809310 0.5638985086 1.4806664423 X 3.0082106 3.4123701010 0.3050990533 C -4.102164289 0.5125441905 4.0722223275 H -5.080003731 0.0737538543 4.2677863759 H -3.352072699 -0.2830957587 4.1560682611 H -3.905564730 1.2626283787 4.8481138184 C -3.413563344 5.2327207321 -5.0556895300 H -4.337771070 5.2099142704 -5.6321687193 H -3.155686468 6.2825366423 -4.8695271927 H -2.623141685 4.7808505592 -5.6670029608 N -4.099753850 1.1076738594 2.7382063973 N -3.606776065 4.4986555563 -3.8076178347 C -4.911364973 3.9208448705 -3.5028760526 H -5.587736397 4.0989489535 -4.3381216532 H -4.842981717 2.8363010547 -3.3514624262 H -5.354922403 4.3729604678 -2.6064142380 C -5.314835028 1.0796016381 1.9310095670 H -6.094244428 0.5448400830 2.4726762379 H -5.683687465 2.0915732223 1.7199079932 H -5.150882209 0.5603316974 0.9784013585 H 0.561140245 5.1645167231 1.0031340193 51 Complex 1, dmpe Rh 0.99550 3.43600 0.17480 C 2.88150 3.35090 1.52380 C 2.93210 4.62650 0.87360 C 3.00760 4.37020 -0.52960 C 3.16210 2.93450 -0.73430 C 3.09180 2.30960 0.52760 C 2.91780 3.12780 3.01150 H 2.46070 2.17300 3.29090 H 3.95090 3.10880 3.38750 H 2.39120 3.91980 3.55190 C 2.96880 5.97120 1.54400 H 2.51820 6.74870 0.91980 H 2.42750 5.96450 2.49500 H 4.00010 6.28910 1.76210 C 3.18970 5.41200 -1.60000 H 2.79740 5.07800 -2.56590 H 2.68480 6.34770 -1.34150 H 4.25270 5.64780 -1.75240 C 3.45960 2.27400 -2.05100 H 3.15730 1.22260 -2.05160 H 2.94030 2.76370 -2.88050 H 4.53410 2.30440 -2.28470 C 3.29350 0.85000 0.82310 H 3.03640 0.22550 -0.03750 H 4.33900 0.62950 1.08520 H 2.67830 0.51510 1.66430 Xx 2.97380 3.56620 0.35940 P -0.72680 2.72950 1.40460 P -0.53970 3.96330 -1.35480 C -0.91640 5.75470 -1.65130 H -1.69750 5.90040 -2.40690 H -1.23070 6.21680 -0.71160 H -0.00470 6.26140 -1.98140 C -0.36990 3.38450 -3.10510 H -0.25010 2.29780 -3.11710 H -1.23570 3.66140 -3.71800 H 0.52670 3.82760 -3.54930 C -2.21080 3.27210 -0.88630 C -2.34530 3.27010 0.64240 C -0.93270 3.29640 3.15430 H -0.08730 2.94480 3.75290 H -0.93350 4.38940 3.18100 H -1.86020 2.92170 3.60250 C -0.98980 0.90620 1.63260 H -1.08520 0.43050 0.65270 H -0.11330 0.47470 2.12530 H -1.87980 0.68260 2.23270 H -2.53900 4.28620 1.00650 H -3.17630 2.63900 0.98120 H -2.24520 2.24570 -1.27100 H -3.02320 3.82830 -1.37020 52 Complex 2, dmpe Rh 0.99610 3.65780 0.28330 C 2.88400 3.35920 1.53050 C 3.02160 4.60170 0.82170 C 3.01150 4.31030 -0.58260 C 2.96760 2.86150 -0.74100 C 2.89420 2.28180 0.55090 C 2.99730 3.18350 3.01810 H 2.48690 2.28070 3.36420 H 4.05000 3.08980 3.31370 H 2.58080 4.03610 3.55950 C 3.23880 5.95100 1.44500 H 2.85780 6.75790 0.81550 H 2.75610 6.03050 2.42140 H 4.31250 6.12560 1.59220 C 3.28000 5.29770 -1.68210 H 2.83620 4.98670 -2.63150 H 2.89630 6.29100 -1.43730 H 4.35980 5.39700 -1.85010 C 3.15400 2.12130 -2.03370 H 2.68970 1.13230 -2.00940 H 2.74390 2.66840 -2.88540 H 4.22350 1.97350 -2.23310 C 2.98240 0.81810 0.87190 H 2.53990 0.19780 0.08880 H 4.03340 0.51690 0.97180 H 2.49270 0.57420 1.81800 Xx 3.01720 3.51690 0.33200 P -0.71370 2.59550 1.40340 P -0.53660 3.96930 -1.41920 C -1.01690 5.71140 -1.73470 H -1.77000 5.77970 -2.52620 H -1.41120 6.15540 -0.81740 H -0.13410 6.28400 -2.03210 C -0.19530 3.32610 -3.10310 H 0.07340 2.26810 -3.05710 H -1.07400 3.44580 -3.74530 H 0.63610 3.87720 -3.55050 C -2.12180 3.12360 -0.93920 C -2.29480 3.11790 0.58820 C -0.95690 2.99620 3.17380 H -0.09030 2.66250 3.75090 H -1.04970 4.07860 3.29250 H -1.85290 2.50800 3.57030 C -0.77050 0.75980 1.36780 H -0.75780 0.40310 0.33470 H 0.10470 0.34960 1.87740 H -1.67200 0.38820 1.86550 H -2.52360 4.12480 0.95520 H -3.11910 2.46450 0.89430 H -2.06100 2.09690 -1.31900 H -2.97420 3.59870 -1.43710 H 0.25680 4.90990 0.87770 52 Complex 3, dmpe Rh 1.01180 3.43140 0.16960 C 2.88070 3.44980 1.59210 C 3.18870 4.77890 0.91360 C 3.00870 4.40220 -0.55150 C 3.06500 3.00680 -0.68720 C 2.98570 2.41080 0.65680 C 2.85860 3.32010 3.08570 H 2.47620 2.35060 3.41450 H 3.87220 3.42530 3.49510 H 2.24860 4.10590 3.54270 C 4.61000 5.31060 1.23530 H 4.80440 6.24080 0.69380 H 4.70890 5.52180 2.30390 H 5.37280 4.57790 0.95330 C 3.14870 5.41880 -1.64450 H 2.84080 5.02730 -2.61670 H 2.56010 6.31670 -1.42930 H 4.19460 5.73960 -1.74020 C 3.29290 2.22300 -1.94650 H 2.73510 1.28330 -1.94900 H 3.00910 2.79200 -2.83450 H 4.35740 1.97360 -2.04530 C 3.11740 0.94240 0.93800 H 2.58230 0.33550 0.20350 H 4.17410 0.64710 0.90060 H 2.74530 0.68560 1.93240 Xx 3.01720 3.51690 0.33200 P -0.77720 2.65090 1.39620 P -0.57280 3.96670 -1.40510 C -1.04390 5.74480 -1.47310 H -1.85240 5.91270 -2.19200 H -1.36610 6.08650 -0.48610 H -0.17770 6.34220 -1.77020 C -0.29270 3.55050 -3.17140 H -0.07080 2.48520 -3.27280 H -1.17240 3.79360 -3.77610 H 0.55990 4.11910 -3.55300 C -2.16250 3.10000 -0.98280 C -2.36580 3.11070 0.54080 C -1.02900 3.22630 3.12260 H -0.18880 2.90710 3.74480 H -1.07830 4.31820 3.14720 H -1.95300 2.81720 3.54340 C -0.87400 0.82060 1.55130 H -0.87670 0.36240 0.55900 H 0.00090 0.45050 2.09230 H -1.77830 0.51850 2.08970 H -2.63260 4.11760 0.88310 H -3.17940 2.44290 0.84480 H -2.07360 2.07140 -1.35140 H -3.00830 3.55980 -1.50620 H 2.46950 5.55580 1.21580