LTL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | HC11 | sing | 1.09Å | 1.11Å | |
| C1 | HC12 | sing | 1.09Å | 1.11Å | |
| C1 | HC13 | sing | 1.09Å | 1.12Å | |
| C2 | C6 | sing | 1.53Å | 1.53Å | |
| C2 | O21 | sing | 1.43Å | 1.37Å | |
| C2 | C22 | sing | 1.53Å | 1.58Å | |
| C6 | C7 | sing | 1.53Å | 1.59Å | |
| C6 | HC61 | sing | 1.09Å | 1.12Å | |
| C6 | HC62 | sing | 1.09Å | 1.11Å | |
| C7 | C10 | sing | 1.51Å | 1.48Å | |
| C7 | HC71 | sing | 1.09Å | 1.11Å | |
| C7 | HC72 | sing | 1.09Å | 1.12Å | |
| C10 | C13 | sing | 1.51Å | 1.63Å | |
| C10 | O20 | doub | 1.21Å | 1.18Å | |
| C13 | C14 | sing | 1.53Å | 1.61Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C14 | H143 | sing | 1.09Å | 1.12Å | |
| O21 | H21 | sing | 0.97Å | 0.95Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C22 | H223 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | HC11 | 101.6° | 109.5° |
| C2 | C1 | HC12 | 115.2° | 109.4° |
| C2 | C1 | HC13 | 115.2° | 109.5° |
| C1 | C2 | C6 | 101.6° | 109.6° |
| C1 | C2 | O21 | 105.9° | 109.5° |
| C1 | C2 | C22 | 108.8° | 109.5° |
| HC11 | C1 | HC12 | 115.2° | 109.5° |
| HC11 | C1 | HC13 | 115.1° | 109.5° |
| HC12 | C1 | HC13 | 95.2° | 109.4° |
| C6 | C2 | O21 | 108.0° | 109.5° |
| C6 | C2 | C22 | 114.6° | 109.4° |
| C2 | C6 | C7 | 116.9° | 109.5° |
| C2 | C6 | HC61 | 109.5° | 109.4° |
| C2 | C6 | HC62 | 109.5° | 109.5° |
| O21 | C2 | C22 | 116.6° | 109.4° |
| C2 | O21 | H21 | 105.9° | 106.8° |
| C2 | C22 | H221 | 108.8° | 109.5° |
| C2 | C22 | H222 | 112.4° | 109.5° |
| C2 | C22 | H223 | 112.4° | 109.5° |
| C7 | C6 | HC61 | 109.5° | 109.6° |
| C7 | C6 | HC62 | 109.6° | 109.5° |
| C6 | C7 | C10 | 117.8° | 109.5° |
| C6 | C7 | HC71 | 109.2° | 109.5° |
| C6 | C7 | HC72 | 109.2° | 109.4° |
| HC61 | C6 | HC62 | 100.6° | 109.4° |
| C10 | C7 | HC71 | 109.2° | 109.5° |
| C10 | C7 | HC72 | 109.2° | 109.4° |
| C7 | C10 | C13 | 123.4° | 120.0° |
| C7 | C10 | O20 | 112.4° | 120.0° |
| HC71 | C7 | HC72 | 100.9° | 109.4° |
| C13 | C10 | O20 | 124.1° | 120.0° |
| C10 | C13 | C14 | 114.6° | 109.5° |
| C10 | C13 | H131 | 110.3° | 109.6° |
| C10 | C13 | H132 | 110.3° | 109.4° |
| C14 | C13 | H131 | 110.3° | 109.4° |
| C14 | C13 | H132 | 110.3° | 109.4° |
| C13 | C14 | H141 | 114.6° | 109.5° |
| C13 | C14 | H142 | 110.3° | 109.5° |
| C13 | C14 | H143 | 110.3° | 109.5° |
| H131 | C13 | H132 | 100.0° | 109.4° |
| H141 | C14 | H142 | 110.4° | 109.5° |
| H141 | C14 | H143 | 110.3° | 109.5° |
| H142 | C14 | H143 | 99.9° | 109.4° |
| H221 | C22 | H222 | 112.5° | 109.5° |
| H221 | C22 | H223 | 112.5° | 109.5° |
| H222 | C22 | H223 | 98.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | HC11 | HC12 | 125.3° | 120.0° |
| C2 | C1 | HC11 | HC13 | 125.2° | 120.0° |
| C2 | C1 | HC12 | HC13 | 121.1° | 119.9° |
| C1 | C2 | C6 | O21 | 111.1° | 120.0° |
| C1 | C2 | C6 | C22 | 117.1° | 120.0° |
| C1 | C2 | O21 | C22 | 121.2° | 120.0° |
| C1 | C2 | C6 | C7 | 179.6° | 180.0° |
| C1 | C2 | C6 | HC61 | 54.3° | 59.9° |
| C1 | C2 | C6 | HC62 | 55.1° | 59.9° |
| C1 | C2 | O21 | H21 | 180.0° | 60.1° |
| C1 | C2 | C22 | H221 | 180.0° | 60.0° |
| C1 | C2 | C22 | H222 | 54.7° | 180.0° |
| C1 | C2 | C22 | H223 | 54.7° | 60.0° |
| HC11 | C1 | HC12 | HC13 | 121.0° | 120.0° |
| HC11 | C1 | C2 | C6 | 180.0° | 180.0° |
| HC11 | C1 | C2 | O21 | 67.3° | 60.0° |
| HC11 | C1 | C2 | C22 | 58.8° | 60.0° |
| HC12 | C1 | C2 | C6 | 54.7° | 60.0° |
| HC12 | C1 | C2 | O21 | 167.4° | 60.1° |
| HC12 | C1 | C2 | C22 | 66.5° | 180.0° |
| HC13 | C1 | C2 | C6 | 54.8° | 60.0° |
| HC13 | C1 | C2 | O21 | 57.9° | 180.0° |
| HC13 | C1 | C2 | C22 | 176.0° | 60.0° |
| C6 | C2 | O21 | C22 | 130.7° | 119.9° |
| C2 | C6 | C7 | HC61 | 125.3° | 120.1° |
| C2 | C6 | C7 | HC62 | 125.3° | 120.0° |
| C2 | C6 | HC61 | HC62 | 115.3° | 119.9° |
| C2 | C6 | C7 | C10 | 177.7° | 179.9° |
| C2 | C6 | C7 | HC71 | 57.0° | 59.9° |
| C2 | C6 | C7 | HC72 | 52.5° | 60.0° |
| C6 | C2 | O21 | H21 | 71.8° | 60.0° |
| C6 | C2 | C22 | H221 | 67.1° | 60.1° |
| C6 | C2 | C22 | H222 | 58.2° | 59.9° |
| C6 | C2 | C22 | H223 | 167.6° | 179.9° |
| O21 | C2 | C6 | C7 | 68.4° | 60.0° |
| O21 | C2 | C6 | HC61 | 56.8° | 60.1° |
| O21 | C2 | C6 | HC62 | 166.3° | 180.0° |
| O21 | C2 | C22 | H221 | 60.3° | 180.0° |
| O21 | C2 | C22 | H222 | 174.3° | 60.0° |
| O21 | C2 | C22 | H223 | 64.9° | 60.0° |
| C22 | C2 | C6 | C7 | 63.3° | 59.9° |
| C22 | C2 | C6 | HC61 | 171.4° | 179.9° |
| C22 | C2 | C6 | HC62 | 62.0° | 60.1° |
| C22 | C2 | O21 | H21 | 58.8° | 179.9° |
| C2 | C22 | H221 | H222 | 125.3° | 120.0° |
| C2 | C22 | H221 | H223 | 125.2° | 120.0° |
| C2 | C22 | H222 | H223 | 118.3° | 120.0° |
| C7 | C6 | HC61 | HC62 | 115.3° | 120.0° |
| C6 | C7 | C10 | HC71 | 125.3° | 120.1° |
| C6 | C7 | C10 | HC72 | 125.2° | 119.9° |
| C6 | C7 | HC71 | HC72 | 114.9° | 119.9° |
| C6 | C7 | C10 | C13 | 41.0° | 180.0° |
| C6 | C7 | C10 | O20 | 136.3° | 0.1° |
| HC61 | C6 | C7 | C10 | 52.5° | 59.9° |
| HC61 | C6 | C7 | HC71 | 177.8° | 180.0° |
| HC61 | C6 | C7 | HC72 | 72.8° | 60.0° |
| HC62 | C6 | C7 | C10 | 57.0° | 60.0° |
| HC62 | C6 | C7 | HC71 | 68.3° | 60.1° |
| HC62 | C6 | C7 | HC72 | 177.8° | 180.0° |
| C10 | C7 | HC71 | HC72 | 115.0° | 120.0° |
| C7 | C10 | C13 | O20 | 177.0° | 179.9° |
| C7 | C10 | C13 | C14 | 178.9° | 179.9° |
| C7 | C10 | C13 | H131 | 55.9° | 59.9° |
| C7 | C10 | C13 | H132 | 53.6° | 60.1° |
| HC71 | C7 | C10 | C13 | 84.3° | 59.9° |
| HC71 | C7 | C10 | O20 | 98.5° | 120.0° |
| HC72 | C7 | C10 | C13 | 166.2° | 60.1° |
| HC72 | C7 | C10 | O20 | 11.0° | 120.0° |
| C10 | C13 | C14 | H131 | 125.2° | 120.1° |
| C10 | C13 | C14 | H132 | 125.3° | 120.0° |
| C10 | C13 | H131 | H132 | 116.1° | 120.0° |
| C10 | C13 | C14 | H141 | 179.9° | 179.9° |
| C10 | C13 | C14 | H142 | 54.7° | 60.0° |
| C10 | C13 | C14 | H143 | 54.7° | 59.9° |
| O20 | C10 | C13 | C14 | 4.1° | 0.1° |
| O20 | C10 | C13 | H131 | 121.1° | 120.0° |
| O20 | C10 | C13 | H132 | 129.4° | 120.0° |
| C14 | C13 | H131 | H132 | 116.2° | 119.9° |
| C13 | C14 | H141 | H142 | 125.3° | 120.0° |
| C13 | C14 | H141 | H143 | 125.2° | 120.0° |
| C13 | C14 | H142 | H143 | 116.1° | 120.0° |
| H131 | C13 | C14 | H141 | 54.7° | 59.9° |
| H131 | C13 | C14 | H142 | 179.9° | 60.1° |
| H131 | C13 | C14 | H143 | 70.5° | 179.9° |
| H132 | C13 | C14 | H141 | 54.8° | 60.0° |
| H132 | C13 | C14 | H142 | 70.6° | 180.0° |
| H132 | C13 | C14 | H143 | 180.0° | 60.0° |
| H141 | C14 | H142 | H143 | 116.1° | 120.0° |
| H221 | C22 | H222 | H223 | 118.4° | 120.0° |
