9YL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | OXT | sing | 1.45Å | 1.46Å | |
| O1 | C1 | doub | 1.21Å | 1.19Å | |
| OXT | C1 | sing | 1.34Å | 1.37Å | |
| C1 | C2 | sing | 1.51Å | 1.45Å | |
| C2 | O2 | sing | 1.43Å | 1.41Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | OXT | 110.7° | 109.5° |
| C8 | C7 | H5 | 109.2° | 109.5° |
| C8 | C7 | H6 | 109.2° | 109.5° |
| C7 | C8 | H7 | 109.5° | 109.4° |
| C7 | C8 | H8 | 109.4° | 109.4° |
| C7 | C8 | H9 | 109.4° | 109.5° |
| C7 | OXT | C1 | 114.7° | 117.0° |
| OXT | C7 | H5 | 109.2° | 109.4° |
| OXT | C7 | H6 | 109.2° | 109.4° |
| O1 | C1 | OXT | 117.5° | 120.0° |
| O1 | C1 | C2 | 126.6° | 120.0° |
| OXT | C1 | C2 | 115.8° | 120.0° |
| C1 | C2 | O2 | 99.1° | 109.4° |
| C1 | C2 | C3 | 113.0° | 109.5° |
| C1 | C2 | H10 | 109.3° | 109.5° |
| O2 | C2 | C3 | 116.8° | 109.5° |
| C2 | O2 | H1 | 109.5° | 114.0° |
| O2 | C2 | H10 | 109.7° | 109.5° |
| C2 | C3 | H2 | 109.5° | 109.4° |
| C2 | C3 | H3 | 109.4° | 109.4° |
| C2 | C3 | H4 | 109.4° | 109.4° |
| C3 | C2 | H10 | 108.5° | 109.5° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H2 | C3 | H4 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H9 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | OXT | H5 | 120.2° | 120.0° |
| C8 | C7 | OXT | H6 | 120.2° | 120.1° |
| C8 | C7 | OXT | C1 | 163.4° | 180.0° |
| C8 | C7 | H5 | H6 | 119.5° | 120.0° |
| C7 | C8 | H7 | H8 | 120.0° | 119.9° |
| C7 | C8 | H7 | H9 | 120.0° | 120.0° |
| C7 | C8 | H8 | H9 | 120.0° | 120.0° |
| C7 | OXT | C1 | O1 | 1.1° | 0.2° |
| C7 | OXT | C1 | C2 | 179.1° | 180.0° |
| OXT | C7 | H5 | H6 | 119.4° | 119.9° |
| OXT | C7 | C8 | H7 | 180.0° | 60.0° |
| OXT | C7 | C8 | H8 | 60.0° | 60.0° |
| OXT | C7 | C8 | H9 | 60.0° | 180.0° |
| O1 | C1 | OXT | C2 | 178.0° | 179.8° |
| O1 | C1 | C2 | O2 | 10.9° | 5.0° |
| O1 | C1 | C2 | C3 | 113.4° | 115.0° |
| O1 | C1 | C2 | H10 | 125.7° | 125.0° |
| OXT | C1 | C2 | O2 | 166.9° | 175.2° |
| OXT | C1 | C2 | C3 | 68.8° | 64.7° |
| C1 | OXT | C7 | H5 | 76.5° | 60.0° |
| C1 | OXT | C7 | H6 | 43.2° | 60.0° |
| OXT | C1 | C2 | H10 | 52.1° | 55.3° |
| C1 | C2 | O2 | C3 | 121.6° | 120.0° |
| C1 | C2 | O2 | H10 | 114.4° | 120.0° |
| C1 | C2 | C3 | H10 | 121.4° | 120.0° |
| C1 | C2 | O2 | H1 | 4.5° | 60.1° |
| C1 | C2 | C3 | H2 | 180.0° | 60.0° |
| C1 | C2 | C3 | H3 | 60.0° | 180.0° |
| C1 | C2 | C3 | H4 | 60.0° | 60.0° |
| O2 | C2 | C3 | H10 | 124.6° | 120.0° |
| O2 | C2 | C3 | H2 | 66.0° | 60.0° |
| O2 | C2 | C3 | H3 | 174.0° | 60.0° |
| O2 | C2 | C3 | H4 | 54.0° | 180.0° |
| C3 | C2 | O2 | H1 | 117.1° | 60.0° |
| C2 | C3 | H2 | H3 | 120.0° | 120.0° |
| C2 | C3 | H2 | H4 | 120.0° | 119.9° |
| C2 | C3 | H3 | H4 | 120.0° | 119.9° |
| H1 | O2 | C2 | H10 | 118.9° | 180.0° |
| H2 | C3 | H3 | H4 | 120.0° | 120.1° |
| H2 | C3 | C2 | H10 | 58.6° | 180.0° |
| H3 | C3 | C2 | H10 | 61.4° | 60.0° |
| H4 | C3 | C2 | H10 | 178.6° | 60.0° |
| H5 | C7 | C8 | H7 | 59.8° | 60.0° |
| H5 | C7 | C8 | H8 | 60.2° | 180.0° |
| H5 | C7 | C8 | H9 | 179.8° | 60.0° |
| H6 | C7 | C8 | H7 | 59.8° | 180.0° |
| H6 | C7 | C8 | H8 | 179.9° | 60.0° |
| H6 | C7 | C8 | H9 | 60.2° | 60.0° |
| H7 | C8 | H8 | H9 | 120.0° | 120.0° |
