B74
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CE2 | CZ | doub | 1.38Å | 1.40Å | Aromatic |
| CE2 | CD2 | sing | 1.38Å | 1.41Å | Aromatic |
| CZ | CE1 | sing | 1.38Å | 1.41Å | Aromatic |
| CB2 | CD2 | sing | 1.51Å | 1.51Å | |
| CD2 | CG | doub | 1.38Å | 1.41Å | Aromatic |
| CE1 | CD1 | doub | 1.38Å | 1.41Å | Aromatic |
| CG | CD1 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CB1 | sing | 1.51Å | 1.51Å | |
| CB1 | O1 | sing | 1.43Å | 1.75Å | |
| CB1 | HB11 | sing | 1.09Å | 1.10Å | |
| CB1 | HB12 | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CB2 | HB21 | sing | 1.09Å | 1.10Å | |
| CB2 | HB22 | sing | 1.09Å | 1.10Å | |
| CB2 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CZ | CE2 | CD2 | 120.0° | 120.0° |
| CE2 | CZ | CE1 | 120.0° | 120.0° |
| CZ | CE2 | HE2 | 120.0° | 120.0° |
| CE2 | CZ | HZ | 120.0° | 120.0° |
| CE2 | CD2 | CB2 | 120.0° | 120.0° |
| CE2 | CD2 | CG | 120.1° | 120.0° |
| CD2 | CE2 | HE2 | 120.0° | 120.0° |
| CZ | CE1 | CD1 | 120.0° | 120.1° |
| CZ | CE1 | HE1 | 120.0° | 120.0° |
| CE1 | CZ | HZ | 120.0° | 120.0° |
| CB2 | CD2 | CG | 119.9° | 120.0° |
| CD2 | CB2 | HB21 | 109.5° | 109.5° |
| CD2 | CB2 | HB22 | 109.5° | 109.5° |
| CD2 | CB2 | H1 | 109.5° | 109.4° |
| CD2 | CG | CD1 | 119.8° | 120.0° |
| CD2 | CG | HG | 120.1° | 120.0° |
| CE1 | CD1 | CG | 120.0° | 120.0° |
| CE1 | CD1 | CB1 | 119.8° | 120.0° |
| CD1 | CE1 | HE1 | 120.0° | 119.9° |
| CG | CD1 | CB1 | 119.4° | 120.0° |
| CD1 | CG | HG | 120.1° | 120.0° |
| CD1 | CB1 | O1 | 116.2° | 109.5° |
| CD1 | CB1 | HB11 | 107.8° | 109.5° |
| CD1 | CB1 | HB12 | 107.8° | 109.5° |
| O1 | CB1 | HB11 | 107.8° | 109.4° |
| O1 | CB1 | HB12 | 107.8° | 109.5° |
| CB1 | O1 | H2 | 109.5° | 114.0° |
| HB11 | CB1 | HB12 | 109.4° | 109.4° |
| HB21 | CB2 | HB22 | 109.4° | 109.5° |
| HB21 | CB2 | H1 | 109.4° | 109.4° |
| HB22 | CB2 | H1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.1° |
| CE2 | CZ | CE1 | HZ | 180.0° | 179.2° |
| CZ | CE2 | CD2 | CB2 | 179.3° | 179.4° |
| CZ | CE2 | CD2 | CG | 0.6° | 0.6° |
| CE2 | CZ | CE1 | CD1 | 0.6° | 0.6° |
| CE2 | CZ | CE1 | HE1 | 179.4° | 179.4° |
| CD2 | CE2 | CZ | CE1 | 0.6° | 0.9° |
| CE2 | CD2 | CB2 | CG | 179.9° | 180.0° |
| CE2 | CD2 | CG | CD1 | 0.6° | 0.0° |
| CE2 | CD2 | CG | HG | 179.5° | 179.8° |
| CD2 | CE2 | CZ | HZ | 179.4° | 179.9° |
| CE2 | CD2 | CB2 | HB21 | 90.0° | 90.0° |
| CE2 | CD2 | CB2 | HB22 | 150.0° | 30.0° |
| CE2 | CD2 | CB2 | H1 | 30.0° | 150.0° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 180.0° |
| CZ | CE1 | CD1 | CG | 0.5° | 0.0° |
| CZ | CE1 | CD1 | CB1 | 169.1° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 179.4° | 179.9° |
| CB2 | CD2 | CG | CD1 | 179.4° | 180.0° |
| CB2 | CD2 | CG | HG | 0.6° | 0.2° |
| CB2 | CD2 | CE2 | HE2 | 0.7° | 0.4° |
| CD2 | CB2 | HB21 | HB22 | 120.0° | 120.0° |
| CD2 | CB2 | HB21 | H1 | 120.0° | 120.0° |
| CD2 | CB2 | HB22 | H1 | 120.0° | 120.0° |
| CD2 | CG | CD1 | CE1 | 0.5° | 0.3° |
| CD2 | CG | CD1 | HG | 180.0° | 179.7° |
| CD2 | CG | CD1 | CB1 | 169.2° | 179.7° |
| CG | CD2 | CE2 | HE2 | 179.4° | 179.6° |
| CG | CD2 | CB2 | HB21 | 90.0° | 90.0° |
| CG | CD2 | CB2 | HB22 | 30.0° | 150.0° |
| CG | CD2 | CB2 | H1 | 150.1° | 30.0° |
| CE1 | CD1 | CG | CB1 | 169.7° | 180.0° |
| CE1 | CD1 | CB1 | O1 | 138.5° | 90.0° |
| CE1 | CD1 | CB1 | HB11 | 100.6° | 30.0° |
| CE1 | CD1 | CB1 | HB12 | 17.5° | 150.0° |
| CE1 | CD1 | CG | HG | 179.5° | 179.9° |
| CD1 | CE1 | CZ | HZ | 179.4° | 179.8° |
| CG | CD1 | CB1 | O1 | 51.8° | 90.0° |
| CG | CD1 | CB1 | HB11 | 69.2° | 150.0° |
| CG | CD1 | CB1 | HB12 | 172.8° | 30.1° |
| CG | CD1 | CE1 | HE1 | 179.4° | 180.0° |
| CD1 | CB1 | O1 | HB11 | 121.0° | 120.0° |
| CD1 | CB1 | O1 | HB12 | 121.0° | 120.0° |
| CD1 | CB1 | HB11 | HB12 | 117.0° | 120.0° |
| CB1 | CD1 | CG | HG | 10.8° | 0.1° |
| CB1 | CD1 | CE1 | HE1 | 10.9° | 0.0° |
| CD1 | CB1 | O1 | H2 | 180.0° | 180.0° |
| O1 | CB1 | HB11 | HB12 | 116.9° | 120.0° |
| HB11 | CB1 | O1 | H2 | 59.0° | 60.0° |
| HB12 | CB1 | O1 | H2 | 59.0° | 59.9° |
| HE1 | CE1 | CZ | HZ | 0.6° | 0.2° |
| HE2 | CE2 | CZ | HZ | 0.6° | 0.9° |
| HB21 | CB2 | HB22 | H1 | 120.0° | 120.0° |
