8B6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CB | CA | doub | 1.34Å | 1.41Å | Aromatic |
| CB | CG | sing | 1.47Å | 1.47Å | Aromatic |
| CA | O4 | sing | 1.34Å | 1.31Å | Aromatic |
| O1 | CD1 | sing | 1.36Å | 1.40Å | |
| CG | CD1 | sing | 1.39Å | 1.42Å | Aromatic |
| CG | CD2 | doub | 1.41Å | 1.39Å | Aromatic |
| CD1 | CE1 | doub | 1.40Å | 1.44Å | Aromatic |
| O4 | CD2 | sing | 1.35Å | 1.34Å | Aromatic |
| CD2 | CE2 | sing | 1.39Å | 1.42Å | Aromatic |
| CE1 | C3 | sing | 1.46Å | 1.46Å | |
| CE1 | CZ | sing | 1.41Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.36Å | 1.43Å | |
| CE2 | CZ | doub | 1.38Å | 1.43Å | Aromatic |
| CZ | OH | sing | 1.35Å | 1.35Å | |
| C4 | C5 | sing | 1.41Å | 1.40Å | |
| OH | C5 | sing | 1.34Å | 1.31Å | |
| C5 | O | doub | 1.22Å | 1.40Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| CA | H2 | sing | 1.08Å | 1.08Å | |
| CB | H3 | sing | 1.08Å | 1.08Å | |
| CE2 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| O1 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | CB | CG | 105.2° | 106.1° |
| CB | CA | O4 | 109.1° | 110.2° |
| CB | CA | H2 | 125.4° | 124.9° |
| CA | CB | H3 | 127.4° | 126.9° |
| CB | CG | CD1 | 135.3° | 134.0° |
| CB | CG | CD2 | 104.7° | 105.6° |
| CG | CB | H3 | 127.4° | 126.9° |
| CA | O4 | CD2 | 111.5° | 111.0° |
| O4 | CA | H2 | 125.4° | 124.9° |
| O1 | CD1 | CG | 120.0° | 120.4° |
| O1 | CD1 | CE1 | 120.0° | 120.4° |
| CD1 | O1 | H6 | 109.5° | 114.0° |
| CD1 | CG | CD2 | 120.0° | 120.4° |
| CG | CD1 | CE1 | 120.1° | 119.2° |
| CG | CD2 | O4 | 109.5° | 107.1° |
| CG | CD2 | CE2 | 120.0° | 119.9° |
| CD1 | CE1 | C3 | 120.9° | 120.8° |
| CD1 | CE1 | CZ | 120.0° | 120.1° |
| O4 | CD2 | CE2 | 130.5° | 132.9° |
| CD2 | CE2 | CZ | 120.0° | 120.3° |
| CD2 | CE2 | H4 | 120.0° | 119.9° |
| C3 | CE1 | CZ | 119.1° | 119.0° |
| CE1 | C3 | C4 | 117.1° | 118.2° |
| CE1 | C3 | H5 | 121.5° | 120.9° |
| CE1 | CZ | CE2 | 120.0° | 120.0° |
| CE1 | CZ | OH | 121.0° | 119.6° |
| C3 | C4 | C5 | 118.2° | 119.8° |
| C3 | C4 | H1 | 120.9° | 120.1° |
| C4 | C3 | H5 | 121.4° | 120.9° |
| CE2 | CZ | OH | 119.0° | 120.3° |
| CZ | CE2 | H4 | 120.0° | 119.9° |
| CZ | OH | C5 | 122.5° | 121.5° |
| C4 | C5 | OH | 122.1° | 121.8° |
| C4 | C5 | O | 119.0° | 119.1° |
| C5 | C4 | H1 | 120.9° | 120.1° |
| OH | C5 | O | 118.9° | 119.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | CB | CG | H3 | 180.0° | 180.0° |
| CB | CA | O4 | H2 | 180.0° | 180.0° |
| CA | CB | CG | CD1 | 180.0° | 179.1° |
| CA | CB | CG | CD2 | 0.0° | 0.0° |
| CB | CA | O4 | CD2 | 0.0° | 0.0° |
| CG | CB | CA | O4 | 0.0° | 0.0° |
| CB | CG | CD1 | O1 | 0.1° | 0.0° |
| CB | CG | CD1 | CD2 | 179.9° | 179.0° |
| CB | CG | CD1 | CE1 | 180.0° | 180.0° |
| CB | CG | CD2 | O4 | 0.0° | 0.0° |
| CB | CG | CD2 | CE2 | 179.9° | 179.7° |
| CG | CB | CA | H2 | 179.9° | 180.0° |
| CA | O4 | CD2 | CG | 0.0° | 0.0° |
| CA | O4 | CD2 | CE2 | 179.9° | 179.7° |
| O4 | CA | CB | H3 | 179.9° | 179.9° |
| O1 | CD1 | CG | CE1 | 179.9° | 180.0° |
| O1 | CD1 | CG | CD2 | 180.0° | 179.0° |
| O1 | CD1 | CE1 | C3 | 0.0° | 0.0° |
| O1 | CD1 | CE1 | CZ | 180.0° | 179.5° |
| CD1 | CG | CD2 | O4 | 180.0° | 179.3° |
| CD1 | CG | CD2 | CE2 | 0.0° | 1.0° |
| CG | CD1 | CE1 | C3 | 180.0° | 179.9° |
| CG | CD1 | CE1 | CZ | 0.0° | 0.5° |
| CD1 | CG | CB | H3 | 0.0° | 0.9° |
| CG | CD1 | O1 | H6 | 180.0° | 90.0° |
| CD2 | CG | CD1 | CE1 | 0.0° | 1.0° |
| CG | CD2 | O4 | CE2 | 179.9° | 179.6° |
| CG | CD2 | CE2 | CZ | 0.0° | 0.5° |
| CD2 | CG | CB | H3 | 179.9° | 179.9° |
| CG | CD2 | CE2 | H4 | 180.0° | 180.0° |
| CD1 | CE1 | C3 | CZ | 180.0° | 179.5° |
| CD1 | CE1 | C3 | C4 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.0° | 0.0° |
| CD1 | CE1 | CZ | OH | 180.0° | 179.7° |
| CD1 | CE1 | C3 | H5 | 0.0° | 0.5° |
| CE1 | CD1 | O1 | H6 | 0.1° | 90.0° |
| O4 | CD2 | CE2 | CZ | 180.0° | 179.9° |
| CD2 | O4 | CA | H2 | 179.9° | 180.0° |
| O4 | CD2 | CE2 | H4 | 0.1° | 0.4° |
| CD2 | CE2 | CZ | CE1 | 0.0° | 0.0° |
| CD2 | CE2 | CZ | H4 | 180.0° | 179.5° |
| CD2 | CE2 | CZ | OH | 180.0° | 179.7° |
| CE1 | C3 | C4 | H5 | 180.0° | 179.6° |
| C3 | CE1 | CZ | CE2 | 180.0° | 179.6° |
| C3 | CE1 | CZ | OH | 0.0° | 0.7° |
| CE1 | C3 | C4 | C5 | 0.0° | 0.1° |
| CE1 | C3 | C4 | H1 | 180.0° | 179.7° |
| CZ | CE1 | C3 | C4 | 0.0° | 0.4° |
| CE1 | CZ | CE2 | OH | 180.0° | 179.7° |
| CE1 | CZ | OH | C5 | 0.0° | 0.5° |
| CE1 | CZ | CE2 | H4 | 180.0° | 179.5° |
| CZ | CE1 | C3 | H5 | 180.0° | 180.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | OH | 0.0° | 0.3° |
| C3 | C4 | C5 | O | 180.0° | 179.7° |
| CE2 | CZ | OH | C5 | 180.0° | 179.8° |
| CZ | OH | C5 | C4 | 0.0° | 0.0° |
| CZ | OH | C5 | O | 180.0° | 180.0° |
| OH | CZ | CE2 | H4 | 0.0° | 0.8° |
| C4 | C5 | OH | O | 180.0° | 180.0° |
| C5 | C4 | C3 | H5 | 180.0° | 179.5° |
| OH | C5 | C4 | H1 | 180.0° | 180.0° |
| O | C5 | C4 | H1 | 0.0° | 0.0° |
| H1 | C4 | C3 | H5 | 0.0° | 0.2° |
| H2 | CA | CB | H3 | 0.1° | 0.1° |
