FBE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.23Å | |
| C | C1 | sing | 1.51Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | doub | 1.31Å | 1.32Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | N | sing | 1.47Å | 1.45Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C1 | 122.8° | 120.0° |
| O | C | OXT | 118.6° | 120.0° |
| C1 | C | OXT | 118.6° | 120.0° |
| C | C1 | C2 | 115.6° | 109.5° |
| C | C1 | H11 | 107.5° | 109.4° |
| C | C1 | H12 | 107.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| C2 | C1 | H11 | 107.5° | 109.5° |
| C2 | C1 | H12 | 107.5° | 109.5° |
| C1 | C2 | C3 | 123.4° | 120.0° |
| C1 | C2 | H21 | 118.3° | 120.0° |
| H11 | C1 | H12 | 111.4° | 109.4° |
| C3 | C2 | H21 | 118.3° | 120.0° |
| C2 | C3 | C4 | 119.0° | 120.0° |
| C2 | C3 | H3 | 120.5° | 120.0° |
| C4 | C3 | H3 | 120.5° | 120.0° |
| C3 | C4 | N | 114.7° | 109.5° |
| C3 | C4 | H41 | 107.7° | 109.4° |
| C3 | C4 | H42 | 107.7° | 109.4° |
| N | C4 | H41 | 107.8° | 109.5° |
| N | C4 | H42 | 107.8° | 109.5° |
| C4 | N | H | 109.5° | 111.0° |
| C4 | N | H2 | 109.5° | 111.0° |
| H41 | C4 | H42 | 111.1° | 109.5° |
| H | N | H2 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C1 | OXT | 180.0° | 179.7° |
| O | C | C1 | C2 | 177.7° | 0.0° |
| O | C | C1 | H11 | 57.7° | 120.0° |
| O | C | C1 | H12 | 62.3° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | C1 | C2 | H11 | 120.0° | 120.0° |
| C | C1 | C2 | H12 | 120.0° | 120.0° |
| C | C1 | H11 | H12 | 117.4° | 119.9° |
| C | C1 | C2 | C3 | 169.6° | 125.0° |
| C | C1 | C2 | H21 | 10.4° | 55.0° |
| C1 | C | OXT | HXT | 179.9° | 179.7° |
| OXT | C | C1 | C2 | 2.3° | 179.7° |
| OXT | C | C1 | H11 | 122.3° | 59.7° |
| OXT | C | C1 | H12 | 117.7° | 60.2° |
| C2 | C1 | H11 | H12 | 117.5° | 120.0° |
| C1 | C2 | C3 | H21 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 179.8° | NaN° |
| C1 | C2 | C3 | H3 | 0.2° | 0.0° |
| H11 | C1 | C2 | C3 | 70.4° | 5.0° |
| H11 | C1 | C2 | H21 | 109.6° | 175.0° |
| H12 | C1 | C2 | C3 | 49.7° | 115.0° |
| H12 | C1 | C2 | H21 | 130.4° | 65.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | N | 176.4° | 125.0° |
| C2 | C3 | C4 | H41 | 56.3° | 115.0° |
| C2 | C3 | C4 | H42 | 63.6° | 5.0° |
| H21 | C2 | C3 | C4 | 0.2° | 0.1° |
| H21 | C2 | C3 | H3 | 179.8° | 180.0° |
| C3 | C4 | N | H41 | 120.0° | 120.0° |
| C3 | C4 | N | H42 | 120.0° | 120.0° |
| C3 | C4 | H41 | H42 | 117.8° | 120.0° |
| C3 | C4 | N | H | 180.0° | 56.1° |
| C3 | C4 | N | H2 | 60.0° | 179.9° |
| H3 | C3 | C4 | N | 3.7° | 55.0° |
| H3 | C3 | C4 | H41 | 123.7° | 65.0° |
| H3 | C3 | C4 | H42 | 116.3° | 175.0° |
| N | C4 | H41 | H42 | 117.9° | 120.0° |
| C4 | N | H | H2 | 120.0° | 123.9° |
| H41 | C4 | N | H | 60.0° | 63.9° |
| H41 | C4 | N | H2 | 180.0° | 59.9° |
| H42 | C4 | N | H | 60.0° | 176.1° |
| H42 | C4 | N | H2 | 60.0° | 60.1° |
