BE2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.35Å | 1.24Å | |
| C | C1 | sing | 1.47Å | 1.53Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C1 | CA | doub | 1.40Å | 1.44Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| CA | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| CA | N | sing | 1.39Å | 1.30Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| N | H | sing | 0.97Å | 1.02Å | |
| N | H2 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 121.3° | 120.0° |
| O | C | C1 | 119.2° | 120.0° |
| OXT | C | C1 | 119.5° | 120.0° |
| C | OXT | HXT | 121.3° | 120.1° |
| C | C1 | CA | 122.2° | 120.2° |
| C | C1 | C6 | 119.1° | 120.2° |
| CA | C1 | C6 | 118.7° | 119.6° |
| C1 | CA | C3 | 120.1° | 119.6° |
| C1 | CA | N | 120.7° | 120.2° |
| C1 | C6 | C5 | 120.4° | 119.9° |
| C1 | C6 | H6 | 119.7° | 120.1° |
| C3 | CA | N | 119.1° | 120.2° |
| CA | C3 | C4 | 119.9° | 120.1° |
| CA | C3 | H3 | 120.1° | 120.0° |
| CA | N | H | 120.7° | 120.1° |
| CA | N | H2 | 108.2° | 120.0° |
| C4 | C3 | H3 | 120.0° | 119.9° |
| C3 | C4 | C5 | 120.3° | 120.4° |
| C3 | C4 | H4 | 119.4° | 119.8° |
| H | N | H2 | 108.3° | 119.9° |
| C5 | C4 | H4 | 120.2° | 119.8° |
| C4 | C5 | C6 | 120.5° | 120.4° |
| C4 | C5 | H5 | 120.0° | 119.9° |
| C6 | C5 | H5 | 119.5° | 119.8° |
| C5 | C6 | H6 | 119.9° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | C1 | 179.4° | 180.0° |
| O | C | OXT | HXT | 179.9° | 0.0° |
| O | C | C1 | CA | 149.3° | 5.4° |
| O | C | C1 | C6 | 30.7° | 174.1° |
| OXT | C | C1 | CA | 30.1° | 174.7° |
| OXT | C | C1 | C6 | 149.9° | 5.9° |
| C1 | C | OXT | HXT | 0.6° | 180.0° |
| C | C1 | CA | C6 | 180.0° | 179.4° |
| C | C1 | CA | C3 | 179.9° | 180.0° |
| C | C1 | CA | N | 2.9° | 0.3° |
| C | C1 | C6 | C5 | 180.0° | 179.9° |
| C | C1 | C6 | H6 | 0.0° | 0.2° |
| C1 | CA | C3 | N | 177.0° | 179.7° |
| C1 | CA | C3 | C4 | 0.1° | 0.3° |
| C1 | CA | C3 | H3 | 179.8° | 179.7° |
| C1 | CA | N | H | 179.9° | 173.9° |
| C1 | CA | N | H2 | 54.7° | 6.3° |
| CA | C1 | C6 | C5 | 0.0° | 0.6° |
| CA | C1 | C6 | H6 | 180.0° | 179.7° |
| C6 | C1 | CA | C3 | 0.1° | 0.6° |
| C6 | C1 | CA | N | 177.1° | 179.7° |
| C1 | C6 | C5 | C4 | 0.0° | 0.3° |
| C1 | C6 | C5 | H6 | 180.0° | 179.7° |
| C1 | C6 | C5 | H5 | 180.0° | 179.8° |
| CA | C3 | C4 | H3 | 180.0° | 179.9° |
| C3 | CA | N | H | 2.9° | 5.8° |
| C3 | CA | N | H2 | 128.3° | 174.0° |
| CA | C3 | C4 | C5 | 0.1° | 0.0° |
| CA | C3 | C4 | H4 | 180.0° | 179.9° |
| N | CA | C3 | C4 | 177.2° | 180.0° |
| N | CA | C3 | H3 | 2.8° | 0.0° |
| CA | N | H | H2 | 125.3° | 179.8° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | H5 | 179.9° | 179.9° |
| H3 | C3 | C4 | C5 | 179.9° | 180.0° |
| H3 | C3 | C4 | H4 | 0.1° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| H4 | C4 | C5 | C6 | 180.0° | 179.9° |
| H4 | C4 | C5 | H5 | 0.0° | 0.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.1° |
