B2F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.44Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | B | sing | 1.57Å | 1.56Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.38Å | 1.38Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.38Å | 1.40Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | sing | 1.38Å | 1.39Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| B | O1 | sing | 1.42Å | 1.44Å | |
| B | O2 | sing | 1.42Å | 1.42Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | CB | 107.2° | 109.5° |
| N | CA | B | 110.8° | 109.5° |
| N | CA | HA | 111.4° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| CB | CA | B | 112.9° | 109.5° |
| CB | CA | HA | 109.2° | 109.5° |
| CA | CB | CG | 113.9° | 109.4° |
| CA | CB | HB1 | 108.0° | 109.5° |
| CA | CB | HB2 | 108.1° | 109.5° |
| B | CA | HA | 105.4° | 109.5° |
| CA | B | O1 | 106.5° | 120.0° |
| CA | B | O2 | 105.2° | 120.0° |
| CG | CB | HB1 | 108.1° | 109.4° |
| CG | CB | HB2 | 108.0° | 109.5° |
| CB | CG | CD1 | 117.7° | 120.0° |
| CB | CG | CD2 | 122.3° | 120.0° |
| HB1 | CB | HB2 | 110.9° | 109.5° |
| CD1 | CG | CD2 | 120.0° | 120.1° |
| CG | CD1 | CE1 | 119.1° | 120.0° |
| CG | CD1 | HD1 | 120.5° | 120.1° |
| CG | CD2 | CE2 | 120.9° | 120.0° |
| CG | CD2 | HD2 | 119.6° | 120.0° |
| CE1 | CD1 | HD1 | 120.5° | 119.9° |
| CD1 | CE1 | CZ | 121.0° | 120.0° |
| CD1 | CE1 | HE1 | 119.5° | 120.0° |
| CE2 | CD2 | HD2 | 119.6° | 120.0° |
| CD2 | CE2 | CZ | 119.4° | 120.0° |
| CD2 | CE2 | HE2 | 120.3° | 120.0° |
| CZ | CE1 | HE1 | 119.5° | 120.0° |
| CE1 | CZ | CE2 | 119.6° | 120.0° |
| CE1 | CZ | HZ | 120.2° | 120.0° |
| CZ | CE2 | HE2 | 120.3° | 120.0° |
| CE2 | CZ | HZ | 120.2° | 120.0° |
| O1 | B | O2 | 102.7° | 120.0° |
| B | O1 | HO1 | 109.5° | 114.0° |
| B | O2 | HO2 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | B | 122.3° | 120.0° |
| N | CA | CB | HA | 120.8° | 120.0° |
| N | CA | B | HA | 120.6° | 120.0° |
| N | CA | CB | CG | 80.6° | 180.0° |
| N | CA | CB | HB1 | 39.4° | 60.0° |
| N | CA | CB | HB2 | 159.4° | 60.0° |
| N | CA | B | O1 | 175.1° | 150.0° |
| N | CA | B | O2 | 66.5° | 30.0° |
| H | N | CA | CB | 180.0° | 176.1° |
| H | N | CA | B | 56.4° | 64.0° |
| H | N | CA | HA | 60.6° | 56.1° |
| H2 | N | CA | CB | 60.0° | 60.0° |
| H2 | N | CA | B | 63.6° | 60.0° |
| H2 | N | CA | HA | 179.4° | 180.0° |
| CB | CA | B | HA | 119.1° | 120.1° |
| CA | CB | CG | HB1 | 120.0° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | HB1 | HB2 | 118.2° | 120.1° |
| CA | CB | CG | CD1 | 161.4° | 90.0° |
| CA | CB | CG | CD2 | 18.2° | 90.3° |
| CB | CA | B | O1 | 64.6° | 90.1° |
| CB | CA | B | O2 | 173.2° | 90.0° |
| B | CA | CB | CG | 157.1° | 60.0° |
| B | CA | CB | HB1 | 82.9° | 180.0° |
| B | CA | CB | HB2 | 37.1° | 60.0° |
| CA | B | O1 | O2 | 110.4° | 180.0° |
| CA | B | O1 | HO1 | 180.0° | 180.0° |
| CA | B | O2 | HO2 | 180.0° | 180.0° |
| HA | CA | CB | CG | 40.2° | 60.0° |
| HA | CA | CB | HB1 | 160.2° | 60.0° |
| HA | CA | CB | HB2 | 79.8° | NaN° |
| HA | CA | B | O1 | 54.5° | 30.0° |
| HA | CA | B | O2 | 54.1° | 150.0° |
| CG | CB | HB1 | HB2 | 118.2° | 120.0° |
| CB | CG | CD1 | CD2 | 179.7° | 179.7° |
| CB | CG | CD1 | CE1 | 179.3° | 180.0° |
| CB | CG | CD1 | HD1 | 0.7° | 0.1° |
| CB | CG | CD2 | CE2 | 179.4° | 179.9° |
| CB | CG | CD2 | HD2 | 0.7° | 0.1° |
| HB1 | CB | CG | CD1 | 78.6° | 30.0° |
| HB1 | CB | CG | CD2 | 101.8° | 149.8° |
| HB2 | CB | CG | CD1 | 41.4° | 150.0° |
| HB2 | CB | CG | CD2 | 138.2° | 29.8° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE2 | 0.3° | 0.2° |
| CD1 | CG | CD2 | HD2 | 179.7° | 179.7° |
| CG | CD1 | CE1 | CZ | 0.1° | 0.0° |
| CG | CD1 | CE1 | HE1 | 179.9° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.4° | 0.3° |
| CD2 | CG | CD1 | HD1 | 179.6° | 179.8° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG | CD2 | CE2 | CZ | 0.0° | 0.1° |
| CG | CD2 | CE2 | HE2 | 179.9° | 179.9° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.2° | 0.3° |
| CD1 | CE1 | CZ | HZ | 179.8° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 179.9° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.1° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 0.3° | 0.3° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | HZ | 179.7° | 179.9° |
| HD2 | CD2 | CE2 | CZ | 180.0° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 0.0° | 0.1° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.7° |
| CE1 | CZ | CE2 | HE2 | 179.7° | 179.7° |
| HE1 | CE1 | CZ | CE2 | 179.8° | 179.8° |
| HE1 | CE1 | CZ | HZ | 0.2° | 0.0° |
| HE2 | CE2 | CZ | HZ | 0.3° | 0.0° |
| O1 | B | O2 | HO2 | 68.7° | 0.0° |
| O2 | B | O1 | HO1 | 69.6° | 0.0° |
