102
FeB2C45N2H50Br2
C        0.571181000     -1.170992000     -2.819978000
C        1.404708000     -2.251513000     -2.381459000
C        0.555161000     -3.327727000     -1.970412000
C       -0.802788000     -2.916895000     -2.157374000
C       -0.790395000     -1.586238000     -2.688509000
C        1.031224000      0.138586000     -3.382034000
H        1.006301000      0.126176000     -4.483957000
H        2.058300000      0.368811000     -3.075407000
H        0.398154000      0.970641000     -3.041716000
C        2.900363000     -2.288589000     -2.432347000
H        3.309919000     -2.991948000     -1.692401000
H        3.343815000     -1.303743000     -2.236103000
H        3.248455000     -2.620984000     -3.423663000
C        0.999699000     -4.661709000     -1.454381000
H        0.292401000     -5.059817000     -0.713169000
H        1.983629000     -4.600229000     -0.968307000
H        1.077224000     -5.397612000     -2.271145000
C       -2.013599000     -3.755646000     -1.890419000
H       -2.890967000     -3.136759000     -1.667791000
H       -1.860415000     -4.423809000     -1.031498000
H       -2.258770000     -4.382721000     -2.763151000
C       -1.984266000     -0.796719000     -3.126072000
H       -2.247428000     -1.037085000     -4.168919000
H       -1.786719000      0.284543000     -3.082404000
H       -2.865481000     -1.002285000     -2.504538000
C       -0.002483000      0.007824000      0.331712000
H       -0.090226000      1.047559000      0.012097000
C        1.244447000     -0.641394000      0.589388000
C        0.916335000     -1.977368000      1.009970000
H        1.628157000     -2.757233000      1.282176000
C       -0.494155000     -2.117957000      1.027441000
H       -1.048331000     -3.014940000      1.303551000
C       -1.089873000     -0.882424000      0.608683000
N        3.789748000     -0.801792000      0.507526000
H        3.612494000     -1.784862000      0.334122000
B        2.650172000      0.040129000      0.548795000
Fe       0.156453000     -1.652557000     -0.864485000
N       -3.015816000      0.573339000     -0.194191000
H       -2.320852000      0.931119000     -0.840439000
B       -2.612221000     -0.525362000      0.604827000
C        2.746958000      1.619605000      0.611666000
C        2.221386000      2.293979000      1.740256000
C        2.260476000      3.686699000      1.797483000
H        1.863004000      4.194349000      2.682152000
C        2.796395000      4.452720000      0.757039000
C        3.322925000      3.779665000     -0.342282000
H        3.764638000      4.356734000     -1.160913000
C        3.318600000      2.381873000     -0.424706000
C        3.988381000      1.743415000     -1.617063000
H        3.740640000      2.273570000     -2.548589000
H        3.706906000      0.690336000     -1.737003000
H        5.084075000      1.768964000     -1.500645000
C        1.634315000      1.530684000      2.905858000
H        1.592563000      2.158145000      3.807202000
H        2.222698000      0.632628000      3.148515000
H        0.611766000      1.186794000      2.685636000
C        2.790393000      5.957300000      0.829954000
H        3.121458000      6.310746000      1.818027000
H        1.775488000      6.354065000      0.665881000
H        3.448733000      6.401499000      0.070163000
C       -3.611774000     -1.334590000      1.527720000
C       -4.706910000     -2.053367000      1.011775000
C       -5.524033000     -2.793870000      1.874901000
H       -6.366218000     -3.353522000      1.455583000
C       -5.305472000     -2.823428000      3.249536000
C       -4.236964000     -2.077397000      3.758033000
H       -4.062705000     -2.065365000      4.838670000
C       -3.390181000     -1.345766000      2.926373000
C       -2.263228000     -0.550560000      3.546036000
H       -2.418845000     -0.421328000      4.626210000
H       -2.172969000      0.451094000      3.097875000
H       -1.292615000     -1.049487000      3.401008000
C       -5.081727000     -2.015461000     -0.450018000
H       -4.270981000     -1.630360000     -1.079888000
H       -5.947267000     -1.351090000     -0.605644000
H       -5.358578000     -3.014058000     -0.819392000
C       -6.179668000     -3.637042000      4.167649000
H       -7.110433000     -3.945624000      3.671144000
H       -6.446099000     -3.070274000      5.072343000
H       -5.658738000     -4.550509000      4.497389000
C        5.157823000     -0.484070000      0.498247000
C        5.669628000      0.602903000      1.218557000
H        5.002209000      1.212228000      1.827346000
Br       9.729950000      0.559297000      0.320845000
C        7.023333000      0.916749000      1.159328000
H        7.407826000      1.770189000      1.719794000
C        7.887247000      0.132679000      0.396267000
C        7.401224000     -0.968620000     -0.304288000
H        8.077107000     -1.586832000     -0.896992000
C        6.043048000     -1.267356000     -0.253248000
H        5.659432000     -2.119089000     -0.820522000
Br      -8.503793000      3.092480000     -1.036146000
C       -4.276278000      1.169821000     -0.359413000
C       -5.193097000      1.266407000      0.695355000
H       -4.923630000      0.893656000      1.683201000
C       -6.448827000      1.828845000      0.492449000
H       -7.155870000      1.891889000      1.320948000
C       -6.795580000      2.323303000     -0.763967000
C       -5.886865000      2.261415000     -1.817612000
H       -6.154248000      2.653898000     -2.799838000
C       -4.638094000      1.683042000     -1.611459000
H       -3.933516000      1.616638000     -2.444130000
