68
FeBC28N4H32O2
Fe      -0.127608000     -0.404180000      0.098661000
O       -2.659548000     -0.622758000     -1.448644000
O        0.044015000     -0.545518000      3.113346000
N        0.230524000      3.030592000     -0.188022000
N        1.213797000      1.878159000     -1.749697000
N        1.228282000     -2.523016000     -1.430820000
N        1.694575000     -0.633013000     -2.400647000
C        0.453670000      1.741511000     -0.621689000
C        0.868291000      3.943780000     -1.015390000
C        1.472741000      3.216889000     -1.983383000
C       -0.544607000      3.421111000      1.010097000
C        0.310496000      3.190772000      2.256693000
C       -0.915582000      4.904686000      0.940740000
C       -1.838600000      2.614123000      1.080848000
C        1.006721000     -1.188514000     -1.384037000
C        2.053492000     -2.824951000     -2.500047000
C        2.350871000     -1.638062000     -3.095111000
C        0.554278000     -3.479078000     -0.499535000
C        0.099566000     -2.725528000      0.745313000
C        1.550922000     -4.590899000     -0.159987000
C       -0.645224000     -4.076478000     -1.243134000
C        0.310895000      0.886532000     -4.008654000
C       -0.844003000      1.660046000     -3.808408000
C       -1.927609000      1.616711000     -4.688122000
C       -1.890458000      0.790877000     -5.812429000
C       -0.756499000      0.011452000     -6.042930000
C        0.318865000      0.065859000     -5.154693000
C        3.021425000      1.269322000     -3.505682000
C        3.271873000      1.826242000     -4.766953000
C        4.553488000      2.244037000     -5.145133000
C        5.624691000      2.104570000     -4.263637000
C        5.402929000      1.544317000     -3.001556000
C        4.122024000      1.137987000     -2.638123000
C       -1.685086000     -0.492853000     -0.822053000
C       -0.113346000     -0.299294000      1.986948000
B        1.549008000      0.845470000     -2.934588000
H        0.844255000      5.017700000     -0.868407000
H        2.056940000      3.551060000     -2.837987000
H       -0.266611000      3.425760000      3.168824000
H        1.204922000      3.836005000      2.235036000
H        0.642624000      2.142432000      2.310160000
H       -1.558886000      5.145108000      1.801989000
H       -0.028623000      5.564870000      1.002557000
H       -1.479291000      5.148333000      0.021573000
H       -2.433301000      2.951161000      1.947077000
H       -1.648003000      1.534763000      1.186424000
H       -2.440024000      2.752223000      0.160875000
H        2.368311000     -3.836903000     -2.741873000
H        2.987416000     -1.421649000     -3.950378000
H        0.721409000     -2.964370000      1.630747000
H       -0.956004000     -2.929218000      0.989695000
H        1.102765000     -5.268710000      0.588442000
H        2.483592000     -4.168741000      0.269051000
H        1.815507000     -5.201677000     -1.041623000
H       -1.099424000     -4.885205000     -0.638778000
H       -1.410362000     -3.307096000     -1.412693000
H       -0.350907000     -4.490876000     -2.223574000
H       -0.915294000      2.301852000     -2.918481000
H       -2.817397000      2.222154000     -4.472141000
H       -2.747069000      0.748405000     -6.492619000
H       -0.720851000     -0.654899000     -6.910918000
H        1.188706000     -0.569610000     -5.349818000
H        2.436557000      1.940128000     -5.472094000
H        4.707239000      2.694736000     -6.133509000
H        6.626914000      2.438711000     -4.550985000
H        6.225702000      1.442242000     -2.286788000
H        3.951009000      0.715146000     -1.639901000
H        1.030425000     -1.189311000      0.747362000
