0BN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.38Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.47Å | |
| CA | C9 | sing | 1.53Å | 1.60Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.30Å | |
| C | OXT | sing | 1.34Å | 1.29Å | |
| N2 | C10 | sing | 1.38Å | 1.22Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| N3 | C10 | doub | 1.30Å | 1.26Å | |
| N3 | H5 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | doub | 1.38Å | 1.48Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C9 | sing | 1.51Å | 1.37Å | |
| C4 | C5 | sing | 1.38Å | 1.34Å | Aromatic |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.39Å | 1.37Å | Aromatic |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.39Å | 1.43Å | Aromatic |
| C6 | C10 | sing | 1.48Å | 1.40Å | |
| C7 | C8 | doub | 1.38Å | 1.34Å | Aromatic |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 111.0° |
| N | CA | C | 106.3° | 109.4° |
| N | CA | C9 | 110.2° | 109.5° |
| N | CA | HA | 110.6° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| H | N | H2 | 109.5° | 111.0° |
| C | CA | C9 | 108.2° | 109.5° |
| C | CA | HA | 112.6° | 109.5° |
| CA | C | O | 117.3° | 120.0° |
| CA | C | OXT | 118.8° | 120.0° |
| C9 | CA | HA | 108.9° | 109.5° |
| CA | C9 | C3 | 113.7° | 109.5° |
| CA | C9 | H10 | 108.1° | 109.5° |
| CA | C9 | H11 | 108.1° | 109.5° |
| O | C | OXT | 123.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C10 | N2 | H3 | 120.0° | 119.9° |
| C10 | N2 | H4 | 120.0° | 120.0° |
| N2 | C10 | N3 | 119.9° | 120.0° |
| N2 | C10 | C6 | 119.3° | 120.0° |
| H3 | N2 | H4 | 120.0° | 120.1° |
| C10 | N3 | H5 | 112.0° | 120.0° |
| N3 | C10 | C6 | 120.8° | 120.0° |
| C4 | C3 | C8 | 122.3° | 120.3° |
| C4 | C3 | C9 | 115.6° | 119.9° |
| C3 | C4 | C5 | 117.4° | 120.1° |
| C3 | C4 | H6 | 121.3° | 120.0° |
| C8 | C3 | C9 | 122.1° | 119.9° |
| C3 | C8 | C7 | 117.6° | 120.1° |
| C3 | C8 | H9 | 121.2° | 119.9° |
| C3 | C9 | H10 | 108.1° | 109.5° |
| C3 | C9 | H11 | 108.1° | 109.4° |
| C5 | C4 | H6 | 121.3° | 119.9° |
| C4 | C5 | C6 | 120.1° | 119.9° |
| C4 | C5 | H7 | 119.9° | 120.0° |
| C6 | C5 | H7 | 120.0° | 120.1° |
| C5 | C6 | C7 | 122.0° | 119.7° |
| C5 | C6 | C10 | 118.3° | 120.1° |
| C7 | C6 | C10 | 119.7° | 120.1° |
| C6 | C7 | C8 | 120.6° | 119.9° |
| C6 | C7 | H8 | 119.7° | 120.1° |
| C8 | C7 | H8 | 119.7° | 120.1° |
| C7 | C8 | H9 | 121.2° | 119.9° |
| H10 | C9 | H11 | 110.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C | C9 | 118.4° | 120.0° |
| N | CA | C | HA | 121.3° | 120.0° |
| N | CA | C9 | HA | 121.5° | 120.0° |
| N | CA | C | O | 163.6° | 20.0° |
| N | CA | C | OXT | 23.0° | 160.0° |
| N | CA | C9 | C3 | 160.5° | 65.0° |
| N | CA | C9 | H10 | 79.5° | 55.0° |
| N | CA | C9 | H11 | 40.5° | 175.0° |
| H | N | CA | C | 180.0° | 60.0° |
| H | N | CA | C9 | 62.9° | 59.9° |
| H | N | CA | HA | 57.5° | 180.0° |
| C | CA | C9 | HA | 122.6° | 120.0° |
| CA | C | O | OXT | 173.0° | 180.0° |
| C | CA | C9 | C3 | 44.6° | 175.0° |
| C | CA | C9 | H10 | 164.6° | 65.0° |
| C | CA | C9 | H11 | 75.4° | 55.0° |
| CA | C | OXT | HXT | 172.9° | 180.0° |
| C | CA | N | H2 | 60.0° | 176.0° |
| C9 | CA | C | O | 78.0° | 100.0° |
| C9 | CA | C | OXT | 95.4° | 80.0° |
| CA | C9 | C3 | C4 | 79.6° | 89.9° |
| CA | C9 | C3 | C8 | 103.1° | 90.2° |
| CA | C9 | C3 | H10 | 120.0° | 120.0° |
| CA | C9 | C3 | H11 | 120.0° | 120.0° |
| CA | C9 | H10 | H11 | 118.3° | 120.0° |
| C9 | CA | N | H2 | 177.0° | 64.0° |
| HA | CA | C | O | 42.4° | 139.9° |
| HA | CA | C | OXT | 144.3° | 40.0° |
| HA | CA | C9 | C3 | 78.1° | 55.0° |
| HA | CA | C9 | H10 | 41.9° | 175.0° |
| HA | CA | C9 | H11 | 161.9° | 65.0° |
| HA | CA | N | H2 | 62.5° | 56.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C10 | N2 | H3 | H4 | 180.0° | 180.0° |
| N2 | C10 | N3 | C6 | 179.6° | 179.9° |
| N2 | C10 | N3 | H5 | 179.6° | 179.9° |
| N2 | C10 | C6 | C5 | 179.3° | 180.0° |
| N2 | C10 | C6 | C7 | 0.3° | 0.0° |
| H3 | N2 | C10 | N3 | 179.6° | 0.0° |
| H3 | N2 | C10 | C6 | 0.0° | 180.0° |
| H4 | N2 | C10 | N3 | 0.4° | 180.0° |
| H4 | N2 | C10 | C6 | 180.0° | 0.1° |
| N3 | C10 | C6 | C5 | 0.3° | 0.1° |
| N3 | C10 | C6 | C7 | 179.3° | 180.0° |
| H5 | N3 | C10 | C6 | 0.0° | 0.0° |
| C4 | C3 | C8 | C9 | 177.0° | 179.8° |
| C3 | C4 | C5 | H6 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.6° | 0.1° |
| C3 | C4 | C5 | H7 | 179.4° | 180.0° |
| C4 | C3 | C8 | C7 | 3.8° | 0.1° |
| C4 | C3 | C8 | H9 | 176.2° | 180.0° |
| C4 | C3 | C9 | H10 | 160.4° | 30.0° |
| C4 | C3 | C9 | H11 | 40.4° | 150.0° |
| C8 | C3 | C4 | C5 | 2.1° | 0.1° |
| C8 | C3 | C4 | H6 | 177.9° | 180.0° |
| C3 | C8 | C7 | C6 | 2.9° | 0.1° |
| C3 | C8 | C7 | H9 | 180.0° | 180.0° |
| C3 | C8 | C7 | H8 | 177.1° | 180.0° |
| C8 | C3 | C9 | H10 | 16.9° | 149.8° |
| C8 | C3 | C9 | H11 | 136.8° | 29.8° |
| C9 | C3 | C4 | C5 | 179.3° | 179.7° |
| C9 | C3 | C4 | H6 | 0.7° | 0.2° |
| C9 | C3 | C8 | C7 | 179.2° | 179.7° |
| C9 | C3 | C8 | H9 | 0.8° | 0.2° |
| C3 | C9 | H10 | H11 | 118.3° | 120.0° |
| C4 | C5 | C6 | H7 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 1.5° | 0.1° |
| C4 | C5 | C6 | C10 | 179.6° | 180.0° |
| H6 | C4 | C5 | C6 | 179.4° | 180.0° |
| H6 | C4 | C5 | H7 | 0.6° | 0.1° |
| C5 | C6 | C7 | C10 | 178.9° | 180.0° |
| C5 | C6 | C7 | C8 | 0.3° | 0.1° |
| C5 | C6 | C7 | H8 | 179.6° | 180.0° |
| H7 | C5 | C6 | C7 | 178.5° | 180.0° |
| H7 | C5 | C6 | C10 | 0.5° | 0.1° |
| C6 | C7 | C8 | H8 | 180.0° | 179.9° |
| C6 | C7 | C8 | H9 | 177.1° | 180.0° |
| C10 | C6 | C7 | C8 | 178.6° | 180.0° |
| C10 | C6 | C7 | H8 | 1.4° | 0.1° |
| H8 | C7 | C8 | H9 | 2.9° | 0.1° |
