NOA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.51Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | OXT | sing | 1.34Å | 1.32Å | |
| CA | O1 | sing | 1.43Å | 1.39Å | |
| CA | HA1 | sing | 1.09Å | 1.11Å | |
| CA | HA2 | sing | 1.09Å | 1.11Å | |
| C1 | C2 | doub | 1.37Å | 1.36Å | Aromatic |
| C1 | C1A | sing | 1.41Å | 1.41Å | Aromatic |
| C1 | O1 | sing | 1.36Å | 1.35Å | |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.36Å | 1.36Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C4A | sing | 1.41Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C4A | C5 | doub | 1.41Å | 1.41Å | Aromatic |
| C4A | C1A | sing | 1.42Å | 1.45Å | Aromatic |
| C5 | C6 | sing | 1.36Å | 1.36Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C1A | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 115.1° | 119.9° |
| CA | C | OXT | 120.8° | 120.1° |
| C | CA | O1 | 111.7° | 109.6° |
| C | CA | HA1 | 111.4° | 109.5° |
| C | CA | HA2 | 111.4° | 109.5° |
| O | C | OXT | 123.7° | 119.9° |
| C | OXT | HXT | 120.8° | 120.1° |
| O1 | CA | HA1 | 111.4° | 109.5° |
| O1 | CA | HA2 | 111.4° | 109.5° |
| CA | O1 | C1 | 124.9° | 106.9° |
| HA1 | CA | HA2 | 99.0° | 109.4° |
| C2 | C1 | C1A | 119.6° | 119.5° |
| C2 | C1 | O1 | 119.7° | 120.2° |
| C1 | C2 | C3 | 121.0° | 121.0° |
| C1 | C2 | H2 | 117.5° | 119.5° |
| C1A | C1 | O1 | 120.6° | 120.3° |
| C1 | C1A | C4A | 119.5° | 119.4° |
| C1 | C1A | C8 | 122.9° | 121.3° |
| C3 | C2 | H2 | 121.5° | 119.5° |
| C2 | C3 | C4 | 121.0° | 121.0° |
| C2 | C3 | H3 | 121.4° | 119.5° |
| C4 | C3 | H3 | 117.6° | 119.5° |
| C3 | C4 | C4A | 120.7° | 119.8° |
| C3 | C4 | H4 | 118.2° | 120.2° |
| C4A | C4 | H4 | 121.1° | 120.0° |
| C4 | C4A | C5 | 120.7° | 121.3° |
| C4 | C4A | C1A | 118.1° | 119.3° |
| C5 | C4A | C1A | 121.1° | 119.4° |
| C4A | C5 | C6 | 117.9° | 119.6° |
| C4A | C5 | H5 | 122.9° | 120.2° |
| C4A | C1A | C8 | 117.5° | 119.3° |
| C6 | C5 | H5 | 119.2° | 120.2° |
| C5 | C6 | C7 | 121.5° | 121.0° |
| C5 | C6 | H6 | 117.6° | 119.5° |
| C7 | C6 | H6 | 120.9° | 119.5° |
| C6 | C7 | C8 | 121.7° | 121.0° |
| C6 | C7 | H7 | 121.1° | 119.6° |
| C8 | C7 | H7 | 117.2° | 119.4° |
| C7 | C8 | C1A | 120.3° | 119.6° |
| C7 | C8 | H8 | 118.1° | 120.2° |
| C1A | C8 | H8 | 121.6° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | OXT | 172.8° | 180.0° |
| C | CA | O1 | HA1 | 125.2° | 120.0° |
| C | CA | O1 | HA2 | 125.3° | 120.1° |
| C | CA | HA1 | HA2 | 117.3° | 120.0° |
| C | CA | O1 | C1 | 170.0° | 180.0° |
| CA | C | OXT | HXT | 179.9° | 180.0° |
| O | C | CA | O1 | 161.7° | 0.0° |
| O | C | CA | HA1 | 36.5° | 120.0° |
| O | C | CA | HA2 | 73.0° | 120.1° |
| O | C | OXT | HXT | 7.6° | 0.0° |
| OXT | C | CA | O1 | 11.3° | 180.0° |
| OXT | C | CA | HA1 | 136.5° | 60.0° |
| OXT | C | CA | HA2 | 114.0° | 59.9° |
| O1 | CA | HA1 | HA2 | 117.3° | 119.9° |
| CA | O1 | C1 | C2 | 8.9° | 0.0° |
| CA | O1 | C1 | C1A | 173.1° | 179.8° |
| HA1 | CA | O1 | C1 | 64.8° | 60.0° |
| HA2 | CA | O1 | C1 | 44.7° | 59.9° |
| C2 | C1 | C1A | O1 | 178.0° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.0° |
| C1 | C2 | C3 | H3 | 179.7° | 180.0° |
| C2 | C1 | C1A | C4A | 2.8° | 0.5° |
| C2 | C1 | C1A | C8 | 180.0° | 179.7° |
| C1A | C1 | C2 | C3 | 3.1° | 0.2° |
| C1A | C1 | C2 | H2 | 176.8° | 179.8° |
| C1 | C1A | C4A | C4 | 0.3° | 0.5° |
| C1 | C1A | C4A | C5 | 177.0° | 179.8° |
| C1 | C1A | C4A | C8 | 177.3° | 179.3° |
| C1 | C1A | C8 | C7 | 178.6° | 179.8° |
| C1 | C1A | C8 | H8 | 1.4° | 0.5° |
| O1 | C1 | C2 | C3 | 178.8° | 180.0° |
| O1 | C1 | C2 | H2 | 1.2° | 0.0° |
| O1 | C1 | C1A | C4A | 179.2° | 179.8° |
| O1 | C1 | C1A | C8 | 2.0° | 0.5° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C4A | 2.8° | 0.0° |
| C2 | C3 | C4 | H4 | 177.3° | 180.0° |
| H2 | C2 | C3 | C4 | 179.6° | 180.0° |
| H2 | C2 | C3 | H3 | 0.4° | 0.0° |
| C3 | C4 | C4A | H4 | 180.0° | 180.0° |
| C3 | C4 | C4A | C5 | 179.8° | 180.0° |
| C3 | C4 | C4A | C1A | 3.0° | 0.2° |
| H3 | C3 | C4 | C4A | 177.2° | 180.0° |
| H3 | C3 | C4 | H4 | 2.8° | 0.0° |
| C4 | C4A | C5 | C1A | 176.7° | 179.8° |
| C4 | C4A | C5 | C6 | 178.0° | 180.0° |
| C4 | C4A | C5 | H5 | 2.0° | 0.1° |
| C4 | C4A | C1A | C8 | 177.1° | 179.7° |
| H4 | C4 | C4A | C5 | 0.3° | 0.0° |
| H4 | C4 | C4A | C1A | 177.0° | 179.8° |
| C4A | C5 | C6 | H5 | 180.0° | 179.9° |
| C4A | C5 | C6 | C7 | 0.7° | 0.0° |
| C4A | C5 | C6 | H6 | 179.3° | 180.0° |
| C5 | C4A | C1A | C8 | 0.3° | 0.5° |
| C1A | C4A | C5 | C6 | 1.3° | 0.2° |
| C1A | C4A | C5 | H5 | 178.7° | 179.8° |
| C4A | C1A | C8 | C7 | 1.4° | 0.6° |
| C4A | C1A | C8 | H8 | 178.7° | 179.8° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 1.0° | 0.0° |
| C5 | C6 | C7 | H7 | 178.9° | 180.0° |
| H5 | C5 | C6 | C7 | 179.3° | 179.9° |
| H5 | C5 | C6 | H6 | 0.7° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C1A | 2.0° | 0.3° |
| C6 | C7 | C8 | H8 | 178.0° | 180.0° |
| H6 | C6 | C7 | C8 | 179.0° | 180.0° |
| H6 | C6 | C7 | H7 | 1.0° | 0.0° |
| C7 | C8 | C1A | H8 | 180.0° | 179.7° |
| H7 | C7 | C8 | C1A | 177.9° | 179.7° |
| H7 | C7 | C8 | H8 | 2.1° | 0.0° |
