YWD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | O09 | sing | 1.43Å | 1.40Å | |
| C10 | C11 | sing | 1.47Å | 1.53Å | |
| O09 | C08 | sing | 1.43Å | 1.41Å | |
| C11 | C12 | trip | 1.17Å | 1.19Å | |
| C01 | C05 | sing | 1.51Å | 1.52Å | |
| C01 | O03 | doub | 1.21Å | 1.19Å | |
| C08 | C05 | sing | 1.53Å | 1.53Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.05Å | 1.06Å | |
| C01 | OXT | sing | 1.34Å | 1.46Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | C10 | C11 | 109.8° | 109.5° |
| C10 | O09 | C08 | 113.5° | 114.0° |
| O09 | C10 | H102 | 109.4° | 109.5° |
| O09 | C10 | H101 | 109.4° | 109.5° |
| C10 | C11 | C12 | 179.4° | 180.0° |
| C11 | C10 | H102 | 109.4° | 109.5° |
| C11 | C10 | H101 | 109.4° | 109.5° |
| O09 | C08 | C05 | 111.7° | 109.5° |
| O09 | C08 | H082 | 108.9° | 109.4° |
| O09 | C08 | H081 | 108.9° | 109.4° |
| C11 | C12 | H121 | 180.0° | 180.0° |
| C05 | C01 | O03 | 117.5° | 120.0° |
| C01 | C05 | C08 | 104.2° | 109.5° |
| C01 | C05 | H051 | 110.8° | 109.4° |
| C01 | C05 | H052 | 110.8° | 109.4° |
| C05 | C01 | OXT | 121.7° | 120.0° |
| O03 | C01 | OXT | 120.8° | 120.0° |
| C08 | C05 | H051 | 110.7° | 109.5° |
| C08 | C05 | H052 | 110.8° | 109.5° |
| C05 | C08 | H082 | 108.9° | 109.5° |
| C05 | C08 | H081 | 108.9° | 109.5° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| C01 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | C10 | C11 | H102 | 120.0° | 120.0° |
| O09 | C10 | C11 | H101 | 120.1° | 120.0° |
| O09 | C10 | C11 | C12 | 158.1° | 0.0° |
| C10 | O09 | C08 | C05 | 152.4° | 180.0° |
| O09 | C10 | H102 | H101 | 119.9° | 120.0° |
| C10 | O09 | C08 | H082 | 87.2° | 60.0° |
| C10 | O09 | C08 | H081 | 32.1° | 60.0° |
| C11 | C10 | O09 | C08 | 64.5° | 180.0° |
| C11 | C10 | H102 | H101 | 119.8° | 120.0° |
| C10 | C11 | C12 | H121 | 12.3° | 180.0° |
| O09 | C08 | C05 | C01 | 18.2° | 180.0° |
| O09 | C08 | C05 | H082 | 120.3° | 120.0° |
| O09 | C08 | C05 | H081 | 120.3° | 120.0° |
| C08 | O09 | C10 | H102 | 175.5° | 60.0° |
| C08 | O09 | C10 | H101 | 55.6° | 60.0° |
| O09 | C08 | C05 | H051 | 101.0° | 60.0° |
| O09 | C08 | C05 | H052 | 137.4° | 60.0° |
| O09 | C08 | H082 | H081 | 119.0° | 120.0° |
| C12 | C11 | C10 | H102 | 81.8° | 120.0° |
| C12 | C11 | C10 | H101 | 38.1° | 120.0° |
| C05 | C01 | O03 | OXT | 179.2° | 180.0° |
| C01 | C05 | C08 | H051 | 119.2° | 120.0° |
| C01 | C05 | C08 | H052 | 119.2° | 120.0° |
| C01 | C05 | H051 | H052 | 122.4° | 120.0° |
| C01 | C05 | C08 | H082 | 102.1° | 60.0° |
| C01 | C05 | C08 | H081 | 138.6° | 60.0° |
| C05 | C01 | OXT | HXT | 179.2° | 180.0° |
| O03 | C01 | C05 | C08 | 75.9° | 0.0° |
| O03 | C01 | C05 | H051 | 165.0° | 120.0° |
| O03 | C01 | C05 | H052 | 43.3° | 120.0° |
| O03 | C01 | OXT | HXT | 0.0° | 0.0° |
| C08 | C05 | H051 | H052 | 122.4° | 120.0° |
| C05 | C08 | H082 | H081 | 119.0° | 120.0° |
| C08 | C05 | C01 | OXT | 103.3° | 180.0° |
| H051 | C05 | C08 | H082 | 138.7° | 180.0° |
| H051 | C05 | C08 | H081 | 19.4° | 60.0° |
| H051 | C05 | C01 | OXT | 15.8° | 60.0° |
| H052 | C05 | C08 | H082 | 17.0° | 60.0° |
| H052 | C05 | C08 | H081 | 102.3° | 180.0° |
| H052 | C05 | C01 | OXT | 137.5° | 60.0° |
