54L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C41 | C40 | sing | 1.53Å | 1.53Å | |
| C41 | C42 | sing | 1.47Å | 1.53Å | |
| C38 | C40 | sing | 1.51Å | 1.51Å | |
| C38 | O39 | doub | 1.21Å | 1.23Å | |
| C42 | C43 | trip | 1.17Å | 1.21Å | |
| C40 | H2 | sing | 1.09Å | 1.10Å | |
| C40 | H3 | sing | 1.09Å | 1.10Å | |
| C41 | H4 | sing | 1.09Å | 1.10Å | |
| C41 | H5 | sing | 1.09Å | 1.10Å | |
| C43 | H6 | sing | 1.05Å | 1.06Å | |
| C38 | O1 | sing | 1.34Å | 1.34Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | C41 | C42 | 108.1° | 109.5° |
| C41 | C40 | C38 | 103.6° | 109.5° |
| C41 | C40 | H2 | 110.9° | 109.4° |
| C41 | C40 | H3 | 110.9° | 109.5° |
| C40 | C41 | H4 | 109.8° | 109.5° |
| C40 | C41 | H5 | 109.8° | 109.5° |
| C41 | C42 | C43 | 177.7° | 179.9° |
| C42 | C41 | H4 | 109.8° | 109.5° |
| C42 | C41 | H5 | 109.8° | 109.5° |
| C40 | C38 | O39 | 121.2° | 120.0° |
| C38 | C40 | H2 | 110.9° | 109.5° |
| C38 | C40 | H3 | 110.9° | 109.5° |
| C40 | C38 | O1 | 113.8° | 120.1° |
| O39 | C38 | O1 | 124.9° | 120.0° |
| C42 | C43 | H6 | 180.0° | 179.9° |
| H2 | C40 | H3 | 109.5° | 109.5° |
| H4 | C41 | H5 | 109.5° | 109.4° |
| C38 | O1 | H1 | 109.5° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | C41 | C42 | H4 | 119.8° | 120.0° |
| C40 | C41 | C42 | H5 | 119.8° | 120.1° |
| C41 | C40 | C38 | H2 | 119.0° | 120.0° |
| C41 | C40 | C38 | H3 | 119.1° | 120.0° |
| C41 | C40 | C38 | O39 | 110.9° | 0.0° |
| C40 | C41 | C42 | C43 | 115.1° | 48.5° |
| C41 | C40 | H2 | H3 | 122.7° | 120.0° |
| C40 | C41 | H4 | H5 | 120.7° | 120.0° |
| C41 | C40 | C38 | O1 | 69.6° | 179.7° |
| C42 | C41 | C40 | C38 | 67.2° | 180.0° |
| C42 | C41 | C40 | H2 | 173.8° | 60.0° |
| C42 | C41 | C40 | H3 | 51.9° | 60.0° |
| C42 | C41 | H4 | H5 | 120.6° | 120.0° |
| C41 | C42 | C43 | H6 | 43.0° | 120.9° |
| C40 | C38 | O39 | O1 | 179.4° | 179.7° |
| C38 | C40 | H2 | H3 | 122.7° | 120.0° |
| C38 | C40 | C41 | H4 | 173.0° | 60.0° |
| C38 | C40 | C41 | H5 | 52.6° | 60.0° |
| C40 | C38 | O1 | H1 | 179.4° | 180.0° |
| O39 | C38 | C40 | H2 | 130.0° | 120.0° |
| O39 | C38 | C40 | H3 | 8.1° | 120.0° |
| O39 | C38 | O1 | H1 | 0.0° | 0.3° |
| C43 | C42 | C41 | H4 | 4.7° | 71.5° |
| C43 | C42 | C41 | H5 | 125.1° | 168.5° |
| H2 | C40 | C41 | H4 | 54.0° | 180.0° |
| H2 | C40 | C41 | H5 | 66.5° | 60.1° |
| H2 | C40 | C38 | O1 | 49.4° | 59.7° |
| H3 | C40 | C41 | H4 | 67.9° | 60.1° |
| H3 | C40 | C41 | H5 | 171.7° | 180.0° |
| H3 | C40 | C38 | O1 | 171.3° | 60.3° |
