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