1    26  Octane
2     1  C      0.000000    0.000000    0.000000     1     2     9    10    11
3     2  C      0.000000    0.000000    1.523000     1     1     3    12    13
4     3  C      1.435643    0.000000    2.031388     1     2     4    14    15
5     4  C      1.998087    1.413832    1.966094     1     3     5    16    17
6     5  C      3.332819    1.464292    2.697854     1     4     6    18    19
7     6  C      3.086944    1.561039    4.197759     1     5     7    20    21
8     7  C      3.716053    0.361724    4.894461     1     6     8    22    23
9     8  C      5.053660    0.768626    5.498418     1     7    24    25    26
10     9  H      0.905757    0.522939   -0.380668     5     1
11    10  H     -0.001416   -1.045877   -0.380668     5     1
12    11  H     -0.906464    0.521712   -0.380668     5     1
13    12  H     -0.523366    0.909971    1.892879     5     2
14    13  H     -0.523366   -0.909971    1.892879     5     2
15    14  H      2.053109   -0.673430    1.395780     5     3
16    15  H      1.454829   -0.357400    3.085269     5     3
17    16  H      2.148494    1.703293    0.901970     5     4
18    17  H      1.284603    2.118411    2.449082     5     4
19    18  H      3.906998    2.355478    2.358921     5     5
20    19  H      3.911068    0.539358    2.476731     5     5
21    20  H      3.544667    2.497522    4.587962     5     6
22    21  H      1.991266    1.569519    4.393174     5     6
23    22  H      3.877205   -0.453540    4.154094     5     7
24    23  H      3.038331    0.005889    5.702449     5     7
25    24  H      5.521021   -0.102332    6.010058     5     8
26    25  H      5.738487    1.129329    4.698622     5     8
27    26  H      4.904152    1.586273    6.238601     5     8
28