94
XYZ file for : herb09 in space group P 21/n
  H        2.51310        1.06710       -5.79330
  H        4.51134        0.61577       -4.74166
  C        2.51575        0.88488       -4.88114
  H        0.55019        1.08295       -4.66140
  C        3.71580        0.61970       -4.25979
  C        1.33733        0.88937       -4.20624
  H       -2.80870       -3.07667       -3.78634
  H       -4.50721        4.20649       -2.91190
  H       -4.54607       -4.26929       -2.87750
  C       -3.13517       -2.85085       -2.94465
  C        3.70662        0.36305       -2.91438
  H       -5.71828        2.31035       -2.51763
  C        1.28706        0.60451       -2.83082
  C       -4.12386        3.49666       -2.44849
  C       -4.17260       -3.55775       -2.40833
  H        4.50599        0.19012       -2.47117
  H       -1.86483       -1.33313       -2.62306
  C       -4.83658        2.36681       -2.22753
  H       -0.58217        0.81764       -2.48129
  H       -2.36637        4.38277       -2.12379
  C       -2.57283       -1.80676       -2.24937
  C        2.50368        0.36041       -2.19741
  C       -2.84402        3.59643       -1.99047
  N        0.15151        0.56428       -2.11024
  C       -4.25365        1.29438       -1.56950
  O        0.69617       -2.47107       -1.64250
  H       -4.74603        0.51672       -1.43874
  C       -4.66164       -3.21509       -1.17650
  H        2.76110        2.85874       -1.30563
  C       -2.25142        2.53255       -1.33000
  H       -1.01424       -4.23712       -1.13798
  H       -5.37688       -3.68343       -0.80894
  C       -2.95732        1.35756       -1.10564
  C       -3.04677       -1.45818       -1.00646
  H       -1.37300        2.60534       -1.03411
  H        2.84851       -2.65992       -0.74100
  C       -4.09478       -2.17770       -0.48414
  C        0.14763       -1.99318       -0.67592
  H        3.11646        4.88128       -0.24079
  C        2.90658        2.88104       -0.38857
  H        4.43336       -4.18359       -0.11514
  P        2.38913        0.13927       -0.42240
  C        3.58632       -2.37083       -0.25443
  C       -0.67594       -4.17926       -0.24030
  H        0.19563       -4.58009       -0.20079
  C        4.53764       -3.28735        0.11397
  P       -2.24901       -0.03776       -0.17238
 Ir        0.09949       -0.09149       -0.11035
  C        3.68278       -1.03911        0.07129
  C        3.14792        4.08696        0.24242
  O       -0.58627       -2.79517        0.15120
  H       -4.42416       -1.95517        0.35594
  H       -1.26861       -4.64253        0.35565
  C        2.88488        1.69216        0.34918
  C        5.64623       -2.87707        0.82327
  C        4.83122       -0.63728        0.74510
  H        6.28762       -3.49461        1.09479
  H        4.95306        0.26254        0.94652
  C        5.78909       -1.55225        1.12011
  O       -0.09566        1.97822        0.77830
  H        6.54425       -1.26330        1.58253
  H       -3.79678        1.95706        1.28129
  C        3.43217        4.10463        1.57977
  H        0.30432        4.37293        1.54516
  C       -3.09205        0.06973        1.43437
  H       -1.24542        4.21808        1.72599
  H        3.64420        4.91192        1.99143
  C        3.11816        1.77022        1.70793
  C       -3.78567        1.20097        1.82310
  H        2.65381       -3.99638        2.12436
  C        0.25864       -0.43756        1.88470
  H       -2.53390       -1.76821        2.06061
  C       -0.39866        4.21708        2.17897
  O        1.57165       -2.34885        2.06077
  C       -0.04745        1.88598        2.02684
  C        3.41059        2.95184        2.33055
  H        3.07445        0.99330        2.21668
  C       -3.05405       -1.02917        2.28520
  H        1.15446       -4.21727        2.52951
  C        1.90890       -3.62797        2.60641
  H       -0.39085        4.91097        2.84296
  C        0.54682       -1.72194        2.59211
  C        0.15118        0.63146        2.68879
  O       -0.19733        2.94592        2.81324
  C       -4.46018        1.19125        3.03188
  H       -4.90111        1.96000        3.31401
  H        3.58915        2.97484        3.24247
  C       -3.77215       -1.03958        3.45202
  H        2.14457       -3.52894        3.53243
  O       -0.07696       -2.12902        3.53144
  C       -4.49612        0.07434        3.81594
  H        0.20092        0.56157        3.61418
  H       -3.77229       -1.79421        3.99366
  H       -5.00416        0.06502        4.59490
