2HC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | C | sing | 1.42Å | 1.57Å | |
| CA | CB | doub | 1.35Å | 1.50Å | |
| CA | HA | sing | 1.08Å | 1.10Å | |
| C | O | sing | 1.35Å | 1.22Å | |
| C | OXT | doub | 1.22Å | 1.23Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| CB | CG | sing | 1.47Å | 1.54Å | |
| CB | HB | sing | 1.08Å | 1.10Å | |
| CG | CD1 | doub | 1.40Å | 1.44Å | Aromatic |
| CG | CD2 | sing | 1.40Å | 1.39Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.38Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| CE1 | CZ | doub | 1.39Å | 1.40Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| CZ | CE2 | sing | 1.38Å | 1.48Å | Aromatic |
| CZ | HZ | sing | 1.08Å | 1.10Å | |
| CE2 | CD2 | doub | 1.39Å | 1.52Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.10Å | |
| CD2 | OH | sing | 1.36Å | 1.44Å | |
| OH | HOH | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | CA | CB | 117.2° | 120.1° |
| C | CA | HA | 123.5° | 120.0° |
| CA | C | O | 115.1° | 120.1° |
| CA | C | OXT | 114.4° | 120.0° |
| CB | CA | HA | 119.3° | 120.0° |
| CA | CB | CG | 120.6° | 120.0° |
| CA | CB | HB | 118.6° | 120.0° |
| O | C | OXT | 130.5° | 119.9° |
| C | O | HO | 115.1° | 106.8° |
| CG | CB | HB | 120.8° | 120.0° |
| CB | CG | CD1 | 120.7° | 120.2° |
| CB | CG | CD2 | 118.5° | 120.2° |
| CD1 | CG | CD2 | 120.7° | 119.5° |
| CG | CD1 | CE1 | 121.7° | 119.9° |
| CG | CD1 | HD1 | 121.5° | 120.0° |
| CG | CD2 | CE2 | 118.9° | 119.7° |
| CG | CD2 | OH | 119.8° | 120.1° |
| CE1 | CD1 | HD1 | 116.8° | 120.1° |
| CD1 | CE1 | CZ | 121.8° | 120.3° |
| CD1 | CE1 | HE1 | 118.3° | 119.8° |
| CZ | CE1 | HE1 | 119.9° | 119.9° |
| CE1 | CZ | CE2 | 120.0° | 120.5° |
| CE1 | CZ | HZ | 117.1° | 119.8° |
| CE2 | CZ | HZ | 122.9° | 119.8° |
| CZ | CE2 | CD2 | 116.8° | 120.1° |
| CZ | CE2 | HE2 | 120.4° | 120.0° |
| CD2 | CE2 | HE2 | 122.8° | 119.9° |
| CE2 | CD2 | OH | 121.3° | 120.2° |
| CD2 | OH | HOH | 119.8° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | CA | CB | HA | 180.0° | 179.9° |
| CA | C | O | OXT | 180.0° | 179.9° |
| CA | C | O | HO | 180.0° | 180.0° |
| C | CA | CB | CG | 180.0° | 180.0° |
| C | CA | CB | HB | 0.0° | 0.1° |
| CB | CA | C | O | 179.3° | 180.0° |
| CB | CA | C | OXT | 0.7° | 0.1° |
| CA | CB | CG | HB | 180.0° | 179.9° |
| CA | CB | CG | CD1 | 1.1° | 0.0° |
| CA | CB | CG | CD2 | 178.7° | 179.8° |
| HA | CA | C | O | 0.7° | 0.1° |
| HA | CA | C | OXT | 179.3° | 180.0° |
| HA | CA | CB | CG | 0.0° | 0.1° |
| HA | CA | CB | HB | 180.0° | 180.0° |
| OXT | C | O | HO | 0.0° | 0.0° |
| CB | CG | CD1 | CD2 | 179.8° | 179.8° |
| CB | CG | CD1 | CE1 | 180.0° | 180.0° |
| CB | CG | CD1 | HD1 | 0.0° | 0.1° |
| CB | CG | CD2 | CE2 | 179.5° | 179.7° |
| CB | CG | CD2 | OH | 0.1° | 0.2° |
| HB | CB | CG | CD1 | 178.9° | 179.9° |
| HB | CB | CG | CD2 | 1.3° | 0.3° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CG | CD1 | CE1 | CZ | 0.7° | 0.1° |
| CG | CD1 | CE1 | HE1 | 179.3° | 179.9° |
| CD1 | CG | CD2 | CE2 | 0.3° | 0.5° |
| CD1 | CG | CD2 | OH | 179.9° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.1° | 0.2° |
| CD2 | CG | CD1 | HD1 | 179.9° | 179.7° |
| CG | CD2 | CE2 | CZ | 0.3° | 0.5° |
| CG | CD2 | CE2 | OH | 179.6° | 179.5° |
| CG | CD2 | CE2 | HE2 | 179.7° | 179.7° |
| CG | CD2 | OH | HOH | 180.0° | 90.6° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.8° | 0.0° |
| CD1 | CE1 | CZ | HZ | 179.2° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 179.3° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.7° | 0.0° |
| CE1 | CZ | CE2 | HZ | 180.0° | 180.0° |
| CE1 | CZ | CE2 | CD2 | 0.3° | 0.3° |
| CE1 | CZ | CE2 | HE2 | 179.7° | 180.0° |
| HE1 | CE1 | CZ | CE2 | 179.2° | 180.0° |
| HE1 | CE1 | CZ | HZ | 0.8° | 0.0° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.7° |
| CZ | CE2 | CD2 | OH | 179.8° | 180.0° |
| HZ | CZ | CE2 | CD2 | 179.7° | 179.7° |
| HZ | CZ | CE2 | HE2 | 0.3° | 0.0° |
| CE2 | CD2 | OH | HOH | 0.4° | 89.9° |
| HE2 | CE2 | CD2 | OH | 0.2° | 0.2° |
