3C4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C | doub | 1.21Å | 1.24Å | |
| C | O1 | sing | 1.34Å | 1.26Å | |
| C | CG | sing | 1.51Å | 1.52Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| CG | CA | sing | 1.51Å | 1.51Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CA | CD2 | doub | 1.38Å | 1.33Å | Aromatic |
| CA | CD1 | sing | 1.38Å | 1.36Å | Aromatic |
| CD2 | CE2 | sing | 1.38Å | 1.28Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | doub | 1.39Å | 1.45Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | OH | sing | 1.36Å | 1.42Å | |
| CZ | CE1 | sing | 1.39Å | 1.49Å | Aromatic |
| OH | HOH | sing | 0.97Å | 0.95Å | |
| CL | CE1 | sing | 1.74Å | 1.76Å | |
| CE1 | CD1 | doub | 1.38Å | 1.37Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C | O1 | 122.3° | 120.0° |
| O2 | C | CG | 116.8° | 120.0° |
| O1 | C | CG | 120.9° | 120.0° |
| C | O1 | HO1 | 109.5° | 120.0° |
| C | CG | CA | 118.6° | 109.4° |
| C | CG | HG1 | 106.5° | 109.4° |
| C | CG | HG2 | 104.4° | 109.4° |
| CA | CG | HG1 | 106.5° | 109.5° |
| CA | CG | HG2 | 104.4° | 109.5° |
| CG | CA | CD2 | 118.4° | 119.9° |
| CG | CA | CD1 | 122.0° | 120.0° |
| HG1 | CG | HG2 | 117.0° | 109.5° |
| CD2 | CA | CD1 | 119.6° | 120.1° |
| CA | CD2 | CE2 | 121.2° | 120.1° |
| CA | CD2 | HD2 | 119.4° | 120.0° |
| CA | CD1 | CE1 | 122.9° | 120.1° |
| CA | CD1 | HD1 | 118.5° | 120.0° |
| CE2 | CD2 | HD2 | 119.4° | 119.9° |
| CD2 | CE2 | CZ | 126.5° | 120.0° |
| CD2 | CE2 | HE2 | 116.8° | 120.1° |
| CZ | CE2 | HE2 | 116.7° | 120.0° |
| CE2 | CZ | OH | 124.7° | 120.1° |
| CE2 | CZ | CE1 | 110.6° | 119.9° |
| OH | CZ | CE1 | 124.7° | 120.0° |
| CZ | OH | HOH | 109.5° | 106.8° |
| CZ | CE1 | CL | 121.1° | 120.1° |
| CZ | CE1 | CD1 | 119.2° | 119.9° |
| CL | CE1 | CD1 | 119.7° | 120.0° |
| CE1 | CD1 | HD1 | 118.6° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C | O1 | CG | 179.4° | 179.9° |
| O2 | C | O1 | HO1 | 0.0° | 0.0° |
| O2 | C | CG | CA | 164.1° | 0.1° |
| O2 | C | CG | HG1 | 76.0° | 120.0° |
| O2 | C | CG | HG2 | 48.4° | 120.1° |
| O1 | C | CG | CA | 16.5° | 180.0° |
| O1 | C | CG | HG1 | 103.5° | 60.0° |
| O1 | C | CG | HG2 | 132.2° | 60.0° |
| CG | C | O1 | HO1 | 179.4° | 180.0° |
| C | CG | CA | HG1 | 120.0° | 120.0° |
| C | CG | CA | HG2 | 115.6° | 120.0° |
| C | CG | HG1 | HG2 | 116.2° | 119.9° |
| C | CG | CA | CD2 | 82.6° | 90.1° |
| C | CG | CA | CD1 | 96.4° | 90.3° |
| CA | CG | HG1 | HG2 | 116.3° | 120.1° |
| CG | CA | CD2 | CD1 | 179.1° | 179.6° |
| CG | CA | CD2 | CE2 | 178.8° | 180.0° |
| CG | CA | CD2 | HD2 | 1.1° | 0.1° |
| CG | CA | CD1 | CE1 | 179.5° | 179.8° |
| CG | CA | CD1 | HD1 | 0.5° | 0.3° |
| HG1 | CG | CA | CD2 | 37.4° | 29.9° |
| HG1 | CG | CA | CD1 | 143.6° | 149.7° |
| HG2 | CG | CA | CD2 | 161.7° | 150.0° |
| HG2 | CG | CA | CD1 | 19.2° | 29.7° |
| CA | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CA | CD2 | CE2 | CZ | 2.0° | 0.1° |
| CA | CD2 | CE2 | HE2 | 178.0° | 179.9° |
| CD2 | CA | CD1 | CE1 | 1.4° | 0.6° |
| CD2 | CA | CD1 | HD1 | 178.6° | 179.9° |
| CD1 | CA | CD2 | CE2 | 0.2° | 0.4° |
| CD1 | CA | CD2 | HD2 | 179.8° | 179.7° |
| CA | CD1 | CE1 | CZ | 1.3° | 0.5° |
| CA | CD1 | CE1 | CL | 179.8° | 179.7° |
| CA | CD1 | CE1 | HD1 | 180.0° | 179.4° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | OH | 177.0° | 179.9° |
| CD2 | CE2 | CZ | CE1 | 1.9° | 0.0° |
| HD2 | CD2 | CE2 | CZ | 178.0° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 2.0° | 0.0° |
| CE2 | CZ | OH | CE1 | 178.7° | 179.9° |
| CE2 | CZ | OH | HOH | 93.2° | 90.0° |
| CE2 | CZ | CE1 | CL | 178.2° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 0.2° | 0.2° |
| HE2 | CE2 | CZ | OH | 3.0° | 0.1° |
| HE2 | CE2 | CZ | CE1 | 178.1° | 180.0° |
| OH | CZ | CE1 | CL | 2.9° | 0.1° |
| OH | CZ | CE1 | CD1 | 178.7° | 179.7° |
| CE1 | CZ | OH | HOH | 85.6° | 89.9° |
| CZ | CE1 | CL | CD1 | 178.4° | 179.8° |
| CZ | CE1 | CD1 | HD1 | 178.7° | 180.0° |
| CL | CE1 | CD1 | HD1 | 0.2° | 0.2° |
