171
C3-symmetric TITp triskelion triradical 1 (C84H87); toluene removed; major disorder components retained; C(sp2)-H = 1.083 Å, C(sp3)-H = 1.089 Å
C   2.206835  0.380251 -1.513260
C  -1.317300  0.462462 -0.368674
C  -2.812851  1.820270 -2.100089
C   0.010426  0.968159 -0.721270
C   4.157707  3.219183 -3.008366
C  -2.504688  0.883959 -0.992465
C   2.401530  1.749164 -1.864195
C  -1.385091 -0.596336  0.577395
C   0.005672 -1.776628  2.342450
C   0.246663  2.318342 -1.013231
H  -0.536255  3.046989 -0.842929
C  -0.132805 -1.147946  1.096944
C   3.338626 -0.356996 -2.101335
C  -4.228622  1.820104 -2.253337
C   1.084345  0.022733 -0.735390
C   1.026888 -1.059602  0.252210
C  -3.793763 -0.741697  0.341085
H  -4.741624 -1.179426  0.628909
C   3.639762  1.908779 -2.548621
C   4.221985  0.600696 -2.696470
C  -2.056394  2.569948 -2.994660
H  -0.974675  2.533478 -2.956688
C   1.460093  2.729895 -1.513260
H   1.683673  3.782789 -1.632903
C   5.155774  3.875379 -2.266627
C  -3.746020  0.291244 -0.606645
C  -0.803281 -1.782097  3.587540
C   2.171079 -1.806628  0.579472
H   3.027754 -1.773201 -0.082253
C   1.183139 -2.515201  2.635241
C  -2.624357 -1.188885  0.897597
H  -2.652068 -2.014694  1.597712
C   4.875307  5.855239 -3.662474
C  -0.078861 -2.554152  4.546069
C  -4.807332  0.864401 -1.364165
C   3.589124 -1.706682 -2.302344
H   2.883028 -2.450006 -1.953365
C   2.235151 -2.578848  1.715336
H   3.085432 -3.225203  1.894601
C   4.756258 -2.100334 -2.957283
H   4.967648 -3.155194 -3.081669
C   1.134362 -3.031009  3.962562
C  -6.250592  0.511192 -1.347553
C  -2.697935  3.369682 -3.942391
H  -2.102635  3.960067 -4.627921
C   5.382091  0.194945 -3.353901
H   6.059116  0.925243 -3.779566
C  -4.858382  2.636081 -3.193177
H  -5.938551  2.651632 -3.269876
C   5.484192  5.187772 -2.603441
H   6.237790  5.704835 -2.022387
C   5.801449  3.190674 -1.068467
H   5.668822  2.116660 -1.190228
C  -1.960907 -1.131205  3.980005
H  -2.505896 -0.512965  3.277399
C  -4.086012  3.424544 -4.024622
H  -4.560656  4.084679 -4.740041
C   3.945651  5.161086 -4.421655
H   3.502163  5.648865 -5.280887
C   2.179760 -3.879804  4.591337
C   3.562462  3.853832 -4.114743
C   5.271723  7.290285 -3.972708
H   5.518340  7.766453 -3.024887
C  -6.704259 -0.603463 -2.049837
C   5.652844 -1.159382 -3.453159
H   6.572112 -1.489504 -3.920979
C  -0.560843 -2.705148  5.849717
H  -0.024475 -3.316239  6.565096
C  -2.419948 -1.280876  5.296113
H  -3.327842 -0.777465  5.604650
C   2.343865 -5.211755  4.159833
C   3.036663 -3.349742  5.574369
C   4.163080  8.111898 -4.610205
H   4.467423  9.156370 -4.658940
H   3.257096  8.025005 -4.012238
H   3.970652  7.742770 -5.616503
C  -1.725497 -2.067516  6.212696
H  -2.105741 -2.178242  7.220685
C   6.532069  7.321114 -4.831148
H   6.320277  6.878262 -5.803232
H   7.320647  6.754515 -4.338165
H   6.855343  8.352454 -4.964388
C  -7.167434  1.364297 -0.720024
C  -8.076214 -0.852251 -2.120024
H  -8.421976 -1.724120 -2.661487
C   2.993674 -1.890994  6.011272
H   2.203127 -1.391704  5.453000
C  -5.745048 -1.550382 -2.766242
H  -4.732473 -1.214887 -2.547027
C  -8.999256 -0.034119 -1.528627
C   7.299893  3.464324 -0.970039
H   7.779352  3.202133 -1.912003
H   7.726114  2.865356 -0.166613
H   7.463010  4.520574 -0.761112
C   5.100383  3.598746  0.212756
H   5.269364  4.658561  0.397574
H   5.496462  3.017807  1.044353
H   4.031630  3.413004  0.116906
C  -8.527194  1.063961 -0.830911
H  -9.243542  1.717877 -0.349112
C   2.696878 -1.734362  7.507208
H   1.715849 -2.152222  7.728331
H   2.709235 -0.677916  7.771196
H   3.454485 -2.261822  8.084908
C  -6.678217  2.564975  0.073628
H  -5.664648  2.783953 -0.259010
C  -5.935609 -1.463696 -4.275052
H  -6.964805 -1.716471 -4.525612
H  -5.260555 -2.162712 -4.766579
H  -5.717965 -0.450960 -4.611085
C  -5.860997 -2.977969 -2.286977
H  -5.733800 -3.009258 -1.205884
H  -5.090027 -3.583869 -2.760700
H  -6.842693 -3.370222 -2.548381
C   4.322432 -1.198499  5.684425
H   5.125195 -1.667099  6.251793
H   4.257278 -0.144472  5.950328
H   4.528129 -1.292010  4.619125
C  -10.509068 -0.268652 -1.643667
H  -11.053451 -0.083432 -0.718863
C  -6.609806  2.240772  1.535924
H  -7.611146  2.030977  1.909052
H  -6.190367  3.087724  2.076909
H  -5.977374  1.366783  1.684565
C  -7.510939  3.807091 -0.161851
H  -7.671304  3.938163 -1.230975
H  -6.986431  4.674898  0.235293
H  -8.471347  3.700955  0.340416
C  -10.857534 -1.694085 -2.334322
H  -11.937511 -1.831778 -2.359058
H  -10.402925 -2.497974 -1.757249
H  -10.466089 -1.711233 -3.350392
C  -11.020399  0.528595 -2.819401
H  -10.449009  0.268479 -3.709218
H  -10.907007  1.592231 -2.615093
H  -12.072129  0.299594 -2.984761
C   1.239977  3.631398 -5.008484
H   0.890772  3.599596 -3.977482
H   0.581715  3.031295 -5.634974
H   1.237887  4.661731 -5.361090
C   3.112516  3.003213 -6.538890
H   3.103396  4.004033 -6.968073
H   2.431077  2.363091 -7.097286
H   4.120242  2.593817 -6.591845
C   2.666083  3.071170 -5.082824
H   2.623515  2.046821 -4.715648
C   4.974721 -6.956584  7.515099
H   5.810259 -7.539009  7.900557
H   4.117300 -7.610164  7.361526
H   4.714922 -6.177379  8.230126
C   5.364109 -6.328399  6.211035
H   5.553564 -7.128107  5.496545
C   6.664346 -5.554356  6.407059
H   6.512389 -4.771107  7.148242
H   6.965375 -5.105345  5.461707
H   7.443428 -6.233204  6.750740
C   3.360741 -5.977345  4.712192
H   3.482844 -7.001770  4.382747
C   4.224465 -5.474963  5.670305
C   4.031837 -4.174338  6.101393
H   4.677550 -3.781489  6.877031
C   1.401602 -5.817398  3.131118
H   1.102509 -5.005579  2.469745
C   0.142495 -6.308510  3.802669
H   0.389113 -7.122098  4.483238
H  -0.555494 -6.666822  3.047458
H  -0.312961 -5.492720  4.362104
C   2.012967 -6.873710  2.259804
H   2.884447 -6.465216  1.750317
H   1.282143 -7.202490  1.522430
H   2.314215 -7.721025  2.873993
