55
 i =       95, E =      -517.3279492214
H 16.695982 14.447378 21.589899
H 14.057300 13.928793 12.923800
H 15.328867 21.199511 14.037002
H 17.899546 19.683306 20.847952
N 16.059324 15.536453 18.448366
N 15.086337 15.397686 15.778427
N 16.403996 18.289883 18.156851
C 16.950695 17.011913 20.158302
C 15.370878 13.504308 17.300848
C 14.536366 16.684248 13.784913
C 16.091640 20.201683 16.667702
H 15.966794 12.510365 19.921051
H 14.584244 12.207808 14.904531
H 14.495106 19.202738 12.453088
H 17.189974 21.452211 18.936304
C 16.507769 15.776248 19.722609
C 15.052980 14.063144 16.073967
C 14.882839 17.930334 14.267625
C 16.481398 19.622032 17.852539
C 16.499346 14.555905 20.523289
C 14.623822 13.296435 14.942291
C 14.820859 19.133053 13.490936
C 17.065214 20.369377 18.938379
C 16.082954 13.568239 19.685448
C 14.388199 14.188440 13.929379
C 15.238635 20.148310 14.310742
C 17.391747 19.472816 19.906712
C 15.820075 14.186514 18.407019
C 14.677118 15.498088 14.474365
C 15.572707 19.531347 15.575070
C 16.929754 18.179840 19.416973
N 15.357062 18.186077 15.529992
Fe 15.605077 16.873669 17.033859
H 17.358177 17.068392 21.156908
H 15.260982 12.434133 17.399286
H 14.142721 16.631815 12.782053
H 16.249344 21.263525 16.564552
C 11.999086 18.240067 18.448469
C 13.072534 18.309481 17.615499
N 12.132901 17.050747 19.126537
C 13.265860 16.448360 18.702839
N 13.853591 17.191143 17.788458
H 11.182699 18.914389 18.621222
H 11.546907 16.711575 19.867550
H 13.356434 19.076685 16.919815
H 13.637038 15.514753 19.085934
C 22.835169 17.413805 15.501085
C 21.596270 17.493771 16.068594
N 22.624701 16.924500 14.230490
C 21.281651 16.734730 14.093808
N 20.638277 17.067892 15.180839
H 23.814634 17.652103 15.870589
H 23.327021 16.744236 13.537301
H 21.343372 17.833874 17.060898
H 20.839771 16.355461 13.188785
