1 6 Hexane 2 1 CH3 83 3 2 CH2 86 1 1.52600 4 3 CH2 86 2 1.52600 1 112.4725 5 4 CH2 86 3 1.52600 2 112.5694 1 180.0000 0 6 5 CH2 86 4 1.52600 3 112.5695 2 180.0000 0 7 6 CH3 83 5 1.52600 4 112.4725 3 180.0000 0 8