B5H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | CA | sing | 1.40Å | 1.36Å | |
| N10 | C2 | sing | 1.34Å | 1.32Å | |
| CA | CB | doub | 1.36Å | 1.37Å | |
| CA | C | sing | 1.47Å | 1.42Å | |
| CB | CG | sing | 1.47Å | 1.49Å | |
| CG | CD1 | sing | 1.40Å | 1.39Å | Aromatic |
| CG | CD2 | doub | 1.40Å | 1.39Å | Aromatic |
| CD1 | CE1 | doub | 1.38Å | 1.39Å | Aromatic |
| CE1 | CZ | sing | 1.38Å | 1.38Å | Aromatic |
| CZ | CE2 | doub | 1.39Å | 1.38Å | Aromatic |
| CE2 | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CE2 | BR1 | sing | 1.89Å | 1.94Å | |
| C | N11 | sing | 1.35Å | 1.35Å | |
| C | O3 | doub | 1.22Å | 1.22Å | |
| N11 | C2 | sing | 1.34Å | 1.32Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| CB | HB | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N10 | C2 | 114.7° | 107.7° |
| N10 | CA | CB | 128.4° | 127.4° |
| N10 | CA | C | 103.5° | 105.2° |
| CA | N10 | H10 | 122.6° | 126.1° |
| N10 | C2 | N11 | 103.0° | 111.1° |
| N10 | C2 | O2 | 128.5° | 124.4° |
| C2 | N10 | H10 | 122.7° | 126.1° |
| CB | CA | C | 128.1° | 127.4° |
| CA | CB | CG | 123.7° | 120.0° |
| CA | CB | HB | 118.1° | 120.0° |
| CA | C | N11 | 104.3° | 106.2° |
| CA | C | O3 | 128.4° | 126.9° |
| CB | CG | CD1 | 121.9° | 120.2° |
| CB | CG | CD2 | 120.1° | 120.2° |
| CG | CB | HB | 118.1° | 120.0° |
| CD1 | CG | CD2 | 118.0° | 119.7° |
| CG | CD1 | CE1 | 121.0° | 119.9° |
| CG | CD1 | HD1 | 119.5° | 120.1° |
| CG | CD2 | CE2 | 121.0° | 119.8° |
| CG | CD2 | HD2 | 119.5° | 120.1° |
| CD1 | CE1 | CZ | 120.4° | 120.2° |
| CE1 | CD1 | HD1 | 119.5° | 120.0° |
| CD1 | CE1 | HE1 | 119.8° | 119.9° |
| CE1 | CZ | CE2 | 119.2° | 120.3° |
| CZ | CE1 | HE1 | 119.8° | 119.8° |
| CE1 | CZ | HZ | 120.4° | 119.9° |
| CZ | CE2 | CD2 | 120.4° | 120.1° |
| CZ | CE2 | BR1 | 119.9° | 119.9° |
| CE2 | CZ | HZ | 120.4° | 119.8° |
| CD2 | CE2 | BR1 | 119.8° | 119.9° |
| CE2 | CD2 | HD2 | 119.5° | 120.1° |
| N11 | C | O3 | 127.3° | 126.9° |
| C | N11 | C2 | 114.4° | 109.8° |
| C | N11 | H11 | 122.8° | 125.1° |
| N11 | C2 | O2 | 128.5° | 124.4° |
| C2 | N11 | H11 | 122.8° | 125.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N10 | C2 | H10 | 180.0° | 179.6° |
| N10 | CA | CB | C | 179.7° | 180.0° |
| N10 | CA | CB | CG | 15.9° | 8.1° |
| N10 | CA | C | N11 | 0.1° | 0.1° |
| N10 | CA | C | O3 | 180.0° | 180.0° |
| CA | N10 | C2 | N11 | 0.1° | 0.1° |
| CA | N10 | C2 | O2 | 179.9° | 180.0° |
| N10 | CA | CB | HB | 164.1° | 172.0° |
| C2 | N10 | CA | CB | 179.9° | 180.0° |
| C2 | N10 | CA | C | 0.2° | 0.1° |
| N10 | C2 | N11 | C | 0.0° | 0.0° |
| N10 | C2 | N11 | O2 | 180.0° | 179.9° |
| N10 | C2 | N11 | H11 | 179.9° | 180.0° |
| CA | CB | CG | HB | 180.0° | 179.9° |
| CA | CB | CG | CD1 | 26.8° | 156.2° |
| CA | CB | CG | CD2 | 153.8° | 24.0° |
| CB | CA | C | N11 | 179.9° | 180.0° |
| CB | CA | C | O3 | 0.2° | 0.0° |
| CB | CA | N10 | H10 | 0.1° | 0.3° |
| C | CA | CB | CG | 164.4° | 171.9° |
| CA | C | N11 | O3 | 179.9° | 180.0° |
| CA | C | N11 | C2 | 0.1° | 0.0° |
| C | CA | N10 | H10 | 179.9° | 179.7° |
| C | CA | CB | HB | 15.6° | 8.0° |
| CA | C | N11 | H11 | 180.0° | 180.0° |
| CB | CG | CD1 | CD2 | 179.4° | 179.8° |
| CB | CG | CD1 | CE1 | 179.8° | 180.0° |
| CB | CG | CD2 | CE2 | 179.8° | 179.7° |
| CB | CG | CD1 | HD1 | 0.2° | 0.0° |
| CB | CG | CD2 | HD2 | 0.2° | 0.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.2° | 0.1° |
| CD1 | CG | CD2 | CE2 | 0.3° | 0.6° |
| CD1 | CG | CB | HB | 153.2° | 23.9° |
| CD1 | CG | CD2 | HD2 | 179.6° | 179.7° |
| CG | CD1 | CE1 | HE1 | 179.8° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.4° | 0.3° |
| CG | CD2 | CE2 | CZ | 0.1° | 0.5° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.7° |
| CG | CD2 | CE2 | BR1 | 179.8° | 179.7° |
| CD2 | CG | CB | HB | 26.2° | 155.9° |
| CD2 | CG | CD1 | HD1 | 179.6° | 179.7° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.0° | 0.1° |
| CD1 | CE1 | CZ | HZ | 180.0° | 180.0° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
| CE1 | CZ | CE2 | CD2 | 0.1° | 0.2° |
| CE1 | CZ | CE2 | BR1 | 180.0° | 180.0° |
| CZ | CE1 | CD1 | HD1 | 179.8° | 179.9° |
| CZ | CE2 | CD2 | BR1 | 180.0° | 179.8° |
| CZ | CE2 | CD2 | HD2 | 179.8° | 179.7° |
| CE2 | CZ | CE1 | HE1 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | HZ | 179.9° | 179.7° |
| BR1 | CE2 | CD2 | HD2 | 0.2° | 0.0° |
| BR1 | CE2 | CZ | HZ | 0.0° | 0.1° |
| C | N11 | C2 | H11 | 180.0° | 180.0° |
| C | N11 | C2 | O2 | 180.0° | 179.9° |
| O3 | C | N11 | C2 | 180.0° | 180.0° |
| O3 | C | N11 | H11 | 0.1° | 0.0° |
| N11 | C2 | N10 | H10 | 179.9° | 179.7° |
| O2 | C2 | N10 | H10 | 0.1° | 0.4° |
| O2 | C2 | N11 | H11 | 0.0° | 0.1° |
| HD1 | CD1 | CE1 | HE1 | 0.2° | 0.0° |
| HE1 | CE1 | CZ | HZ | 0.0° | 0.1° |
