MNDOD TS PRECISE ENPART
F-system3-m-ts.dat
F-trimer3-transitionstate                                                                        
  I    0.000000  0    0.000000  0    0.000000  0    0   0   0
  F    2.726593  1    0.000000  0    0.000000  0    1   0   0
  C    1.943298  1  106.034256  1    0.000000  0    1   2   0
  C    1.204422  1  179.367538  1  194.540268  1    3   1   2
  I    4.386566  1  173.259918  1  338.643478  1    1   3   2
  F    2.163132  1  178.858719  1  156.571976  1    1   3   2
  C    1.982498  1   91.128052  1  193.492889  1    5   6   1
  C    1.204544  1  178.998596  1  355.523773  1    7   5   6
  C    1.937592  1  178.620911  1    2.430450  1    5   6   1
  C    1.204422  1  178.774780  1   50.758026  1    9   5   6
  I    2.190979  1  149.957291  1  206.134750  1    2   1   3
  F    2.175842  1   88.480774  1   12.863922  1    5   6   1
  C    1.979980  1  178.075378  1   35.425186  1   11   2  12
  C    1.204544  1  178.657623  1  331.046112  1   13  11   2
  C    1.940308  1   91.163025  1  180.315979  1   11   2  12
  C    1.204224  1  178.620911  1   17.069138  1   15  11   2
  O    1.303757  1  175.491043  1   53.760254  1   10   9   5
  O    1.303879  1  175.251495  1  207.982941  1    4   3   2
  C    1.374893  1  179.999634  1    0.000000  1    8   7   5
  O    1.304367  1  175.683380  1  251.986404  1   16  15  11
  C    4.437531  1   86.317856  1  255.927597  1    1   3   6
  C    1.374786  1  179.684021  1    0.000000  1   14  13  11
  C    1.417419  1  118.578200  1  178.386612  1   20  16  15
  N    1.163544  1  179.999634  1    0.000000  1   22  14   1
  C    1.417267  1  118.749557  1  188.394180  1   18   4   3
  N    1.165833  1  170.394089  1   63.816040  1   21   1   3
  C    1.417053  1  118.793274  1  181.732285  1   17  10   9
  N    1.163513  1  179.684021  1    0.000000  1   19   8   1
  C    1.966858  1   92.600311  1  242.018051  1    1   3   6
  C    1.363251  1  179.684021  1   27.037491  1   21  26   1
  H    1.114243  1  106.284302  1  179.999634  1   23  20  16
  H    1.115036  1  111.804398  1  298.864456  1   23  20  16
  H    1.115219  1  111.772919  1   61.210724  1   23  20  16
  H    1.114166  1  106.296539  1  180.000366  1   25  18   4
  H    1.115005  1  111.795654  1  299.117996  1   25  18   4
  H    1.115295  1  111.739700  1   61.396072  1   25  18   4
  H    1.114090  1  106.310516  1  179.999634  1   27  17  10
  H    1.115311  1  111.762436  1  298.740311  1   27  17  10
  H    1.115173  1  111.785172  1   61.002655  1   27  17  10