NX6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.22Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| C | OXT | sing | 1.34Å | 1.24Å | |
| CA | N | sing | 1.46Å | 1.43Å | |
| N | C1 | sing | 1.35Å | 1.30Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| O1 | C1 | doub | 1.22Å | 1.22Å | |
| C1 | O2 | sing | 1.35Å | 1.41Å | |
| O2 | C2 | sing | 1.45Å | 1.49Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C8 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| CB | CA | sing | 1.53Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG | CB | sing | 1.51Å | 1.54Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| OD2 | CG | doub | 1.21Å | 1.28Å | |
| CG | OD1 | sing | 1.34Å | 1.29Å | |
| OD1 | HOD1 | sing | 0.97Å | 0.95Å | |
| OXT | HOXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 119.2° | 120.0° |
| O | C | OXT | 119.4° | 120.0° |
| CA | C | OXT | 121.3° | 120.0° |
| C | CA | N | 112.1° | 109.5° |
| C | CA | CB | 107.6° | 109.4° |
| C | CA | HA | 108.8° | 109.5° |
| C | OXT | HOXT | 109.5° | 117.0° |
| CA | N | C1 | 122.0° | 120.0° |
| CA | N | HN | 119.0° | 120.0° |
| N | CA | CB | 108.9° | 109.5° |
| N | CA | HA | 107.5° | 109.4° |
| C1 | N | HN | 119.0° | 120.0° |
| N | C1 | O1 | 128.2° | 120.0° |
| N | C1 | O2 | 109.1° | 120.0° |
| O1 | C1 | O2 | 122.7° | 120.0° |
| C1 | O2 | C2 | 118.4° | 117.0° |
| O2 | C2 | C3 | 113.0° | 109.4° |
| O2 | C2 | H2 | 108.3° | 109.5° |
| O2 | C2 | H2A | 108.3° | 109.5° |
| C3 | C2 | H2 | 108.4° | 109.5° |
| C3 | C2 | H2A | 108.3° | 109.5° |
| C2 | C3 | C8 | 120.6° | 120.0° |
| C2 | C3 | C4 | 119.4° | 120.1° |
| H2 | C2 | H2A | 110.6° | 109.5° |
| C8 | C3 | C4 | 119.9° | 120.0° |
| C3 | C8 | C7 | 119.5° | 120.0° |
| C3 | C8 | H8 | 120.3° | 120.0° |
| C3 | C4 | C5 | 121.3° | 120.0° |
| C3 | C4 | H4 | 119.3° | 119.9° |
| C5 | C4 | H4 | 119.3° | 120.1° |
| C4 | C5 | C6 | 118.4° | 120.0° |
| C4 | C5 | H5 | 120.8° | 120.0° |
| C6 | C5 | H5 | 120.8° | 119.9° |
| C5 | C6 | C7 | 120.4° | 120.0° |
| C5 | C6 | H6 | 119.8° | 120.0° |
| C7 | C6 | H6 | 119.8° | 120.0° |
| C6 | C7 | C8 | 120.4° | 120.0° |
| C6 | C7 | H7 | 119.8° | 120.0° |
| C8 | C7 | H7 | 119.8° | 120.0° |
| C7 | C8 | H8 | 120.2° | 120.0° |
| CB | CA | HA | 112.0° | 109.5° |
| CA | CB | CG | 113.1° | 109.5° |
| CA | CB | HB | 108.3° | 109.5° |
| CA | CB | HBA | 108.3° | 109.5° |
| CG | CB | HB | 108.3° | 109.5° |
| CG | CB | HBA | 108.3° | 109.4° |
| CB | CG | OD2 | 112.2° | 120.0° |
| CB | CG | OD1 | 122.0° | 120.0° |
| HB | CB | HBA | 110.6° | 109.5° |
| OD2 | CG | OD1 | 125.8° | 120.0° |
| CG | OD1 | HOD1 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 178.5° | 179.8° |
| O | C | CA | N | 152.2° | 0.3° |
| O | C | CA | CB | 88.2° | 119.8° |
| O | C | CA | HA | 33.4° | 120.3° |
| O | C | OXT | HOXT | 0.0° | 0.2° |
| C | CA | N | CB | 118.8° | 120.0° |
| C | CA | N | HA | 119.6° | 120.0° |
| C | CA | N | C1 | 96.6° | 85.0° |
| C | CA | N | HN | 83.3° | 94.9° |
| C | CA | CB | HA | 119.6° | 120.0° |
| C | CA | CB | CG | 156.2° | 175.0° |
| C | CA | CB | HB | 83.8° | 65.0° |
| C | CA | CB | HBA | 36.2° | 55.0° |
| CA | C | OXT | HOXT | 178.5° | 180.0° |
| OXT | C | CA | N | 26.3° | 179.9° |
| OXT | C | CA | CB | 93.3° | 60.0° |
| OXT | C | CA | HA | 145.1° | 60.0° |
| CA | N | C1 | HN | 180.0° | 179.9° |
| CA | N | C1 | O1 | 3.5° | 0.0° |
| CA | N | C1 | O2 | 175.9° | 179.9° |
| N | CA | CB | HA | 118.8° | 120.0° |
| N | CA | CB | CG | 82.2° | 65.0° |
| N | CA | CB | HB | 37.8° | 55.0° |
| N | CA | CB | HBA | 157.8° | 175.1° |
| N | C1 | O1 | O2 | 179.3° | 180.0° |
| N | C1 | O2 | C2 | 158.8° | 180.0° |
| C1 | N | CA | CB | 144.5° | 155.0° |
| C1 | N | CA | HA | 22.9° | 35.0° |
| HN | N | C1 | O1 | 176.5° | 179.9° |
| HN | N | C1 | O2 | 4.1° | 0.0° |
| HN | N | CA | CB | 35.5° | 25.1° |
| HN | N | CA | HA | 157.1° | 145.1° |
| O1 | C1 | O2 | C2 | 20.6° | 0.1° |
| C1 | O2 | C2 | C3 | 57.3° | 180.0° |
| C1 | O2 | C2 | H2 | 177.3° | 60.0° |
| C1 | O2 | C2 | H2A | 62.7° | 60.0° |
| O2 | C2 | C3 | H2 | 120.0° | 120.0° |
| O2 | C2 | C3 | H2A | 120.0° | 120.0° |
| O2 | C2 | H2 | H2A | 118.5° | 120.0° |
| O2 | C2 | C3 | C8 | 22.6° | 90.3° |
| O2 | C2 | C3 | C4 | 157.9° | 90.0° |
| C3 | C2 | H2 | H2A | 118.6° | 120.0° |
| C2 | C3 | C8 | C4 | 179.4° | 179.7° |
| C2 | C3 | C4 | C5 | 178.2° | 180.0° |
| C2 | C3 | C4 | H4 | 1.8° | 0.0° |
| C2 | C3 | C8 | C7 | 179.2° | 179.7° |
| C2 | C3 | C8 | H8 | 0.8° | 0.0° |
| H2 | C2 | C3 | C8 | 97.4° | 149.8° |
| H2 | C2 | C3 | C4 | 82.1° | 30.0° |
| H2A | C2 | C3 | C8 | 142.6° | 29.7° |
| H2A | C2 | C3 | C4 | 38.0° | 150.0° |
| C8 | C3 | C4 | C5 | 2.3° | 0.2° |
| C8 | C3 | C4 | H4 | 177.7° | 179.8° |
| C3 | C8 | C7 | C6 | 0.2° | 0.6° |
| C3 | C8 | C7 | H8 | 180.0° | 179.7° |
| C3 | C8 | C7 | H7 | 179.8° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 2.1° | 0.0° |
| C3 | C4 | C5 | H5 | 177.8° | 180.0° |
| C4 | C3 | C8 | C7 | 1.3° | 0.6° |
| C4 | C3 | C8 | H8 | 178.7° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 1.0° | 0.0° |
| C4 | C5 | C6 | H6 | 179.0° | 179.9° |
| H4 | C4 | C5 | C6 | 177.9° | 180.0° |
| H4 | C4 | C5 | H5 | 2.2° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.0° | 0.3° |
| C5 | C6 | C7 | H7 | 180.0° | 180.0° |
| H5 | C5 | C6 | C7 | 179.0° | 179.9° |
| H5 | C5 | C6 | H6 | 1.0° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.7° |
| C6 | C7 | C8 | H8 | 179.8° | 179.7° |
| H6 | C6 | C7 | C8 | 179.9° | 179.7° |
| H6 | C6 | C7 | H7 | 0.1° | 0.1° |
| H7 | C7 | C8 | H8 | 0.2° | 0.0° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 118.5° | 120.0° |
| CA | CB | CG | OD2 | 146.4° | 0.0° |
| CA | CB | CG | OD1 | 34.5° | 180.0° |
| HA | CA | CB | CG | 36.6° | 55.0° |
| HA | CA | CB | HB | 156.6° | 175.0° |
| HA | CA | CB | HBA | 83.4° | 65.0° |
| CG | CB | HB | HBA | 118.5° | 120.0° |
| CB | CG | OD2 | OD1 | 179.1° | 179.9° |
| CB | CG | OD1 | HOD1 | 179.0° | 180.0° |
| HB | CB | CG | OD2 | 26.4° | 119.9° |
| HB | CB | CG | OD1 | 154.5° | 60.0° |
| HBA | CB | CG | OD2 | 93.6° | 120.0° |
| HBA | CB | CG | OD1 | 85.5° | 60.0° |
| OD2 | CG | OD1 | HOD1 | 0.0° | 0.0° |
