LEO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C6 | sing | 1.53Å | 1.55Å | |
| C2 | C7 | sing | 1.53Å | 1.51Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C5 | sing | 1.52Å | 1.52Å | |
| C3 | C7 | sing | 1.52Å | 1.47Å | |
| C3 | C8 | sing | 1.53Å | 1.51Å | |
| C3 | O14 | sing | 1.42Å | 1.48Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | C6 | sing | 1.53Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | C17 | sing | 1.51Å | 1.54Å | |
| C6 | H6 | sing | 1.09Å | 1.12Å | |
| C7 | O14 | sing | 1.42Å | 1.47Å | |
| C7 | H7 | sing | 1.09Å | 1.11Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C8 | H83 | sing | 1.09Å | 1.12Å | |
| C17 | C21 | doub | 1.31Å | 1.32Å | |
| C17 | C22 | sing | 1.51Å | 1.52Å | |
| C21 | H211 | sing | 1.08Å | 1.10Å | |
| C21 | H212 | sing | 1.08Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C22 | H223 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C2 | C7 | 113.7° | 110.1° |
| C6 | C2 | H21 | 110.6° | 109.4° |
| C6 | C2 | H22 | 110.6° | 109.4° |
| C2 | C6 | C4 | 107.3° | 108.8° |
| C2 | C6 | C17 | 115.3° | 109.6° |
| C2 | C6 | H6 | 108.6° | 109.6° |
| C7 | C2 | H21 | 110.7° | 109.3° |
| C7 | C2 | H22 | 110.7° | 109.3° |
| C2 | C7 | C3 | 121.5° | 120.6° |
| C2 | C7 | O14 | 115.9° | 115.6° |
| C2 | C7 | H7 | 91.6° | 115.5° |
| H21 | C2 | H22 | 99.6° | 109.2° |
| C5 | C3 | C7 | 120.0° | 119.9° |
| C5 | C3 | C8 | 117.0° | 114.9° |
| C5 | C3 | O14 | 113.8° | 120.1° |
| C3 | C5 | C4 | 113.0° | 110.5° |
| C3 | C5 | H51 | 110.9° | 109.3° |
| C3 | C5 | H52 | 110.9° | 109.3° |
| C7 | C3 | C8 | 119.3° | 116.3° |
| C7 | C3 | O14 | 59.8° | 57.5° |
| C3 | C7 | O14 | 60.5° | 57.7° |
| C3 | C7 | H7 | 132.5° | 117.4° |
| C8 | C3 | O14 | 112.6° | 116.3° |
| C3 | C8 | H81 | 117.0° | 109.5° |
| C3 | C8 | H82 | 109.5° | 109.4° |
| C3 | C8 | H83 | 109.5° | 109.5° |
| C3 | O14 | C7 | 59.8° | 64.8° |
| C5 | C4 | C6 | 111.9° | 108.7° |
| C5 | C4 | H41 | 111.3° | 109.7° |
| C5 | C4 | H42 | 111.3° | 109.6° |
| C4 | C5 | H51 | 110.9° | 109.2° |
| C4 | C5 | H52 | 110.9° | 109.3° |
| C6 | C4 | H41 | 111.4° | 109.6° |
| C6 | C4 | H42 | 111.3° | 109.6° |
| C4 | C6 | C17 | 113.7° | 109.7° |
| C4 | C6 | H6 | 110.3° | 109.6° |
| H41 | C4 | H42 | 99.0° | 109.7° |
| H51 | C5 | H52 | 99.4° | 109.2° |
| C17 | C6 | H6 | 101.5° | 109.6° |
| C6 | C17 | C21 | 121.9° | 120.0° |
| C6 | C17 | C22 | 117.6° | 120.0° |
| O14 | C7 | H7 | 137.3° | 117.5° |
| H81 | C8 | H82 | 109.6° | 109.5° |
| H81 | C8 | H83 | 109.5° | 109.5° |
| H82 | C8 | H83 | 100.6° | 109.5° |
| C21 | C17 | C22 | 120.3° | 120.0° |
| C17 | C21 | H211 | 120.3° | 120.0° |
| C17 | C21 | H212 | 122.0° | 120.0° |
| C17 | C22 | H221 | 117.6° | 109.5° |
| C17 | C22 | H222 | 109.3° | 109.5° |
| C17 | C22 | H223 | 109.2° | 109.5° |
| H211 | C21 | H212 | 117.6° | 120.0° |
| H221 | C22 | H222 | 109.3° | 109.4° |
| H221 | C22 | H223 | 109.3° | 109.4° |
| H222 | C22 | H223 | 100.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C2 | C7 | H21 | 125.2° | 120.3° |
| C6 | C2 | C7 | H22 | 125.3° | 120.2° |
| C6 | C2 | H21 | H22 | 116.5° | 119.7° |
| C6 | C2 | C7 | C3 | 20.9° | 21.6° |
| C2 | C6 | C4 | C5 | 65.5° | 74.2° |
| C2 | C6 | C4 | C17 | 128.7° | 119.9° |
| C2 | C6 | C4 | H6 | 118.1° | 119.8° |
| C2 | C6 | C4 | H41 | 59.8° | 45.6° |
| C2 | C6 | C4 | H42 | 169.2° | 166.1° |
| C2 | C6 | C17 | H6 | 117.1° | 120.3° |
| C6 | C2 | C7 | O14 | 48.9° | 87.7° |
| C6 | C2 | C7 | H7 | 164.9° | 129.4° |
| C2 | C6 | C17 | C21 | 106.1° | 120.3° |
| C2 | C6 | C17 | C22 | 78.0° | 59.7° |
| C7 | C2 | H21 | H22 | 116.6° | 119.6° |
| C2 | C7 | C3 | C5 | 2.2° | 5.9° |
| C2 | C7 | C3 | O14 | 103.9° | 102.8° |
| C2 | C7 | C3 | H7 | 127.2° | 150.5° |
| C2 | C7 | C3 | C8 | 155.5° | 151.5° |
| C7 | C2 | C6 | C4 | 50.7° | 54.2° |
| C7 | C2 | C6 | C17 | 77.1° | 174.1° |
| C7 | C2 | C6 | H6 | 169.9° | 65.6° |
| C2 | C7 | O14 | H7 | 124.9° | 142.1° |
| H21 | C2 | C7 | C3 | 104.3° | 141.8° |
| H21 | C2 | C6 | C4 | 74.6° | 174.4° |
| H21 | C2 | C6 | C17 | 157.6° | 65.7° |
| H21 | C2 | C6 | H6 | 44.6° | 54.6° |
| H21 | C2 | C7 | O14 | 174.1° | 152.0° |
| H21 | C2 | C7 | H7 | 39.7° | 9.2° |
| H22 | C2 | C7 | C3 | 146.1° | 98.6° |
| H22 | C2 | C6 | C4 | 176.0° | 65.9° |
| H22 | C2 | C6 | C17 | 48.2° | 53.9° |
| H22 | C2 | C6 | H6 | 64.8° | 174.2° |
| H22 | C2 | C7 | O14 | 76.4° | 32.5° |
| H22 | C2 | C7 | H7 | 69.8° | 110.4° |
| C5 | C3 | C7 | C8 | 157.8° | 145.7° |
| C5 | C3 | C7 | O14 | 101.7° | 108.6° |
| C5 | C3 | C8 | O14 | 134.6° | 147.7° |
| C3 | C5 | C4 | H51 | 125.3° | 120.2° |
| C3 | C5 | C4 | H52 | 125.3° | 120.4° |
| C3 | C5 | C4 | C6 | 47.7° | 55.1° |
| C3 | C5 | C4 | H41 | 77.6° | 64.7° |
| C3 | C5 | C4 | H42 | 173.0° | 174.8° |
| C3 | C5 | H51 | H52 | 116.8° | 119.5° |
| C5 | C3 | C7 | H7 | 129.5° | 144.6° |
| C5 | C3 | C8 | H81 | 180.0° | 34.4° |
| C5 | C3 | C8 | H82 | 54.7° | 85.6° |
| C5 | C3 | C8 | H83 | 54.7° | 154.4° |
| C7 | C3 | C8 | O14 | 66.9° | 64.9° |
| C7 | C3 | C5 | C4 | 15.3° | 22.3° |
| C7 | C3 | C5 | H51 | 140.6° | 142.5° |
| C7 | C3 | C5 | H52 | 109.9° | 98.1° |
| C3 | C7 | O14 | H7 | 122.0° | 106.5° |
| C7 | C3 | C8 | H81 | 21.6° | 178.2° |
| C7 | C3 | C8 | H82 | 146.9° | 61.8° |
| C7 | C3 | C8 | H83 | 103.7° | 58.2° |
| C8 | C3 | C5 | C4 | 142.9° | 168.4° |
| C8 | C3 | C5 | H51 | 17.7° | 71.4° |
| C8 | C3 | C5 | H52 | 91.8° | 48.1° |
| C8 | C3 | C7 | H7 | 28.3° | 1.1° |
| C3 | C8 | H81 | H82 | 125.3° | 119.9° |
| C3 | C8 | H81 | H83 | 125.3° | 120.0° |
| C3 | C8 | H82 | H83 | 115.2° | 120.0° |
| O14 | C3 | C5 | C4 | 82.9° | 45.2° |
| O14 | C3 | C5 | H51 | 151.8° | 75.0° |
| O14 | C3 | C5 | H52 | 42.3° | 165.6° |
| O14 | C3 | C8 | H81 | 45.4° | 113.3° |
| O14 | C3 | C8 | H82 | 80.0° | 126.7° |
| O14 | C3 | C8 | H83 | 170.7° | 6.7° |
| C5 | C4 | C6 | H41 | 125.3° | 119.8° |
| C5 | C4 | C6 | H42 | 125.3° | 119.7° |
| C5 | C4 | H41 | H42 | 117.2° | 120.4° |
| C4 | C5 | H51 | H52 | 116.7° | 119.5° |
| C5 | C4 | C6 | C17 | 63.2° | 165.9° |
| C5 | C4 | C6 | H6 | 176.4° | 45.6° |
| C6 | C4 | H41 | H42 | 117.2° | 120.4° |
| C6 | C4 | C5 | H51 | 173.0° | 175.3° |
| C6 | C4 | C5 | H52 | 77.6° | 65.3° |
| C4 | C6 | C17 | H6 | 118.4° | 120.4° |
| C4 | C6 | C17 | C21 | 18.4° | 120.3° |
| C4 | C6 | C17 | C22 | 157.5° | 59.7° |
| H41 | C4 | C5 | H51 | 47.7° | 55.5° |
| H41 | C4 | C5 | H52 | 157.1° | 175.0° |
| H41 | C4 | C6 | C17 | 171.5° | 74.2° |
| H41 | C4 | C6 | H6 | 58.3° | 165.4° |
| H42 | C4 | C5 | H51 | 61.8° | 65.0° |
| H42 | C4 | C5 | H52 | 47.7° | 54.5° |
| H42 | C4 | C6 | C17 | 62.1° | 46.2° |
| H42 | C4 | C6 | H6 | 51.1° | 74.2° |
| C6 | C17 | C21 | C22 | 175.8° | 180.0° |
| C6 | C17 | C21 | H211 | 4.2° | 0.0° |
| C6 | C17 | C21 | H212 | 180.0° | 180.0° |
| C6 | C17 | C22 | H221 | 180.0° | 180.0° |
| C6 | C17 | C22 | H222 | 54.7° | 60.0° |
| C6 | C17 | C22 | H223 | 54.7° | 60.0° |
| H6 | C6 | C17 | C21 | 136.8° | 0.0° |
| H6 | C6 | C17 | C22 | 39.1° | 180.0° |
| H81 | C8 | H82 | H83 | 115.3° | 120.1° |
| C17 | C21 | H211 | H212 | 176.0° | 179.9° |
| C21 | C17 | C22 | H221 | 4.0° | 0.0° |
| C21 | C17 | C22 | H222 | 129.3° | 120.0° |
| C21 | C17 | C22 | H223 | 121.2° | 120.0° |
| C22 | C17 | C21 | H211 | 180.0° | 180.0° |
| C22 | C17 | C21 | H212 | 4.2° | 0.0° |
| C17 | C22 | H221 | H222 | 125.3° | 120.0° |
| C17 | C22 | H221 | H223 | 125.2° | 120.0° |
| C17 | C22 | H222 | H223 | 115.0° | 120.1° |
| H221 | C22 | H222 | H223 | 115.0° | 119.9° |
