51R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | CM | sing | 1.40Å | 1.33Å | |
| CG | CD1 | doub | 1.38Å | 1.38Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.37Å | Aromatic |
| CM | F1 | sing | 1.40Å | 1.34Å | |
| CM | CD2 | sing | 1.51Å | 1.49Å | |
| CM | F3 | sing | 1.40Å | 1.34Å | |
| CD2 | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
| CE1 | CZ | doub | 1.39Å | 1.39Å | Aromatic |
| CE2 | CZ | sing | 1.39Å | 1.42Å | Aromatic |
| CZ | NH2 | sing | 1.40Å | 1.44Å | |
| CG | H1 | sing | 1.08Å | 1.08Å | |
| CD1 | H2 | sing | 1.08Å | 1.08Å | |
| CE1 | H3 | sing | 1.08Å | 1.08Å | |
| CE2 | H4 | sing | 1.08Å | 1.08Å | |
| NH2 | H5 | sing | 0.97Å | 1.00Å | |
| NH2 | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | CM | F1 | 109.6° | 109.4° |
| F2 | CM | CD2 | 109.2° | 109.5° |
| F2 | CM | F3 | 113.6° | 109.5° |
| CD1 | CG | CD2 | 121.7° | 120.1° |
| CG | CD1 | CE1 | 117.8° | 120.1° |
| CD1 | CG | H1 | 119.2° | 119.9° |
| CG | CD1 | H2 | 121.1° | 120.0° |
| CG | CD2 | CM | 120.5° | 120.0° |
| CG | CD2 | CE2 | 120.8° | 120.1° |
| CD2 | CG | H1 | 119.2° | 119.9° |
| CD1 | CE1 | CZ | 123.0° | 119.9° |
| CE1 | CD1 | H2 | 121.1° | 119.9° |
| CD1 | CE1 | H3 | 118.5° | 120.1° |
| F1 | CM | CD2 | 103.2° | 109.4° |
| F1 | CM | F3 | 113.2° | 109.5° |
| CD2 | CM | F3 | 107.5° | 109.5° |
| CM | CD2 | CE2 | 118.7° | 119.9° |
| CD2 | CE2 | CZ | 117.7° | 119.9° |
| CD2 | CE2 | H4 | 121.1° | 120.0° |
| CE1 | CZ | CE2 | 118.9° | 119.9° |
| CE1 | CZ | NH2 | 118.2° | 120.1° |
| CZ | CE1 | H3 | 118.5° | 120.0° |
| CE2 | CZ | NH2 | 122.8° | 120.1° |
| CZ | CE2 | H4 | 121.2° | 120.1° |
| CZ | NH2 | H5 | 109.5° | 120.0° |
| CZ | NH2 | H6 | 109.4° | 120.0° |
| H5 | NH2 | H6 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | CM | CD2 | CG | 2.2° | 120.0° |
| F2 | CM | F1 | CD2 | 116.2° | 120.0° |
| F2 | CM | F1 | F3 | 127.9° | 120.0° |
| F2 | CM | CD2 | F3 | 123.7° | 120.0° |
| F2 | CM | CD2 | CE2 | 178.9° | 60.1° |
| CD1 | CG | CD2 | H1 | 180.0° | 179.8° |
| CG | CD1 | CE1 | H2 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CM | 179.6° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.7° | 0.0° |
| CG | CD1 | CE1 | CZ | 1.1° | 0.0° |
| CG | CD1 | CE1 | H3 | 178.9° | 179.9° |
| CD2 | CG | CD1 | CE1 | 1.1° | 0.0° |
| CG | CD2 | CM | F1 | 114.2° | 0.0° |
| CG | CD2 | CM | CE2 | 178.9° | 180.0° |
| CG | CD2 | CM | F3 | 125.9° | 120.0° |
| CG | CD2 | CE2 | CZ | 0.1° | 0.1° |
| CD2 | CG | CD1 | H2 | 178.9° | 180.0° |
| CG | CD2 | CE2 | H4 | 179.9° | 179.9° |
| CD1 | CE1 | CZ | H3 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.6° | 0.0° |
| CD1 | CE1 | CZ | NH2 | 179.6° | 180.0° |
| CE1 | CD1 | CG | H1 | 178.9° | 179.8° |
| F1 | CM | CD2 | F3 | 119.8° | 120.0° |
| F1 | CM | CD2 | CE2 | 64.7° | 180.0° |
| CM | CD2 | CE2 | CZ | 179.1° | 180.0° |
| CM | CD2 | CG | H1 | 0.5° | 0.2° |
| CM | CD2 | CE2 | H4 | 1.0° | 0.0° |
| F3 | CM | CD2 | CE2 | 55.2° | 60.0° |
| CD2 | CE2 | CZ | CE1 | 0.1° | 0.1° |
| CD2 | CE2 | CZ | H4 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | NH2 | 179.1° | 180.0° |
| CE2 | CD2 | CG | H1 | 179.3° | 179.7° |
| CE1 | CZ | CE2 | NH2 | 179.0° | 180.0° |
| CZ | CE1 | CD1 | H2 | 178.9° | 180.0° |
| CE1 | CZ | CE2 | H4 | 179.9° | 179.9° |
| CE1 | CZ | NH2 | H5 | 180.0° | 0.1° |
| CE1 | CZ | NH2 | H6 | 60.0° | 180.0° |
| CE2 | CZ | CE1 | H3 | 179.4° | 180.0° |
| CE2 | CZ | NH2 | H5 | 1.0° | 180.0° |
| CE2 | CZ | NH2 | H6 | 118.9° | 0.0° |
| NH2 | CZ | CE1 | H3 | 0.4° | 0.1° |
| NH2 | CZ | CE2 | H4 | 1.0° | 0.0° |
| CZ | NH2 | H5 | H6 | 120.0° | 179.9° |
| H1 | CG | CD1 | H2 | 1.1° | 0.2° |
| H2 | CD1 | CE1 | H3 | 1.1° | 0.1° |
