A1I7W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | sing | 1.43Å | 1.40Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C6 | C7 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C7 | sing | 1.46Å | 1.43Å | Aromatic |
| C1 | C2 | doub | 1.34Å | 1.36Å | Aromatic |
| C7 | C3 | sing | 1.41Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | N | sing | 1.37Å | 1.36Å | Aromatic |
| C3 | N | sing | 1.37Å | 1.36Å | Aromatic |
| C3 | N1 | doub | 1.33Å | 1.33Å | Aromatic |
| C4 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| O | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C1 | 115.8° | 109.5° |
| O | C | H6 | 107.8° | 109.4° |
| O | C | H7 | 107.9° | 109.5° |
| C | O | H8 | 109.5° | 114.0° |
| C | C1 | C7 | 126.4° | 126.6° |
| C | C1 | C2 | 127.5° | 126.5° |
| C1 | C | H6 | 107.9° | 109.4° |
| C1 | C | H7 | 107.9° | 109.5° |
| C7 | C6 | C5 | 118.3° | 118.1° |
| C6 | C7 | C1 | 136.3° | 134.3° |
| C6 | C7 | C3 | 117.0° | 119.5° |
| C7 | C6 | H4 | 120.8° | 121.0° |
| C6 | C5 | C4 | 119.4° | 119.4° |
| C6 | C5 | H3 | 120.3° | 120.4° |
| C5 | C6 | H4 | 120.9° | 121.0° |
| C7 | C1 | C2 | 106.0° | 106.9° |
| C1 | C7 | C3 | 106.7° | 106.2° |
| C1 | C2 | N | 110.4° | 109.9° |
| C1 | C2 | H1 | 124.8° | 125.1° |
| C7 | C3 | N | 108.3° | 107.0° |
| C7 | C3 | N1 | 126.2° | 119.8° |
| C5 | C4 | N1 | 124.0° | 121.6° |
| C5 | C4 | H2 | 118.0° | 119.3° |
| C4 | C5 | H3 | 120.3° | 120.2° |
| C2 | N | C3 | 108.5° | 110.1° |
| N | C2 | H1 | 124.8° | 125.1° |
| C2 | N | H5 | 125.8° | 125.0° |
| N | C3 | N1 | 125.5° | 133.2° |
| C3 | N | H5 | 125.7° | 124.9° |
| C3 | N1 | C4 | 115.1° | 121.7° |
| N1 | C4 | H2 | 118.0° | 119.1° |
| H6 | C | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C1 | H6 | 120.9° | 120.0° |
| O | C | C1 | H7 | 120.9° | 120.1° |
| O | C | C1 | C7 | 81.3° | 180.0° |
| O | C | C1 | C2 | 101.8° | 0.3° |
| O | C | H6 | H7 | 117.1° | 120.0° |
| C | C1 | C7 | C6 | 2.3° | 0.3° |
| C | C1 | C7 | C2 | 177.4° | 179.7° |
| C | C1 | C7 | C3 | 176.5° | 179.8° |
| C | C1 | C2 | N | 176.8° | 179.8° |
| C | C1 | C2 | H1 | 3.2° | 0.3° |
| C1 | C | H6 | H7 | 117.1° | 120.0° |
| C1 | C | O | H8 | 180.0° | 180.0° |
| C7 | C6 | C5 | H4 | 180.0° | 180.0° |
| C6 | C7 | C1 | C3 | 178.8° | 180.0° |
| C6 | C7 | C1 | C2 | 179.7° | 180.0° |
| C7 | C6 | C5 | C4 | 0.2° | 0.0° |
| C6 | C7 | C3 | N | 180.0° | 180.0° |
| C6 | C7 | C3 | N1 | 0.8° | 0.0° |
| C7 | C6 | C5 | H3 | 179.8° | 180.0° |
| C5 | C6 | C7 | C1 | 178.5° | 180.0° |
| C5 | C6 | C7 | C3 | 0.2° | 0.0° |
| C6 | C5 | C4 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | N1 | 0.2° | 0.0° |
| C6 | C5 | C4 | H2 | 179.7° | 180.0° |
| C7 | C1 | C2 | N | 0.6° | 0.0° |
| C1 | C7 | C3 | N | 0.9° | 0.0° |
| C1 | C7 | C3 | N1 | 178.3° | 180.0° |
| C7 | C1 | C2 | H1 | 179.4° | 180.0° |
| C1 | C7 | C6 | H4 | 1.4° | 0.0° |
| C7 | C1 | C | H6 | 39.6° | 60.0° |
| C7 | C1 | C | H7 | 157.8° | 60.0° |
| C2 | C1 | C7 | C3 | 0.9° | 0.0° |
| C1 | C2 | N | H1 | 180.0° | 180.0° |
| C1 | C2 | N | C3 | 0.0° | 0.0° |
| C1 | C2 | N | H5 | 180.0° | 180.0° |
| C2 | C1 | C | H6 | 137.3° | 119.7° |
| C2 | C1 | C | H7 | 19.1° | 120.4° |
| C7 | C3 | N | C2 | 0.6° | 0.0° |
| C7 | C3 | N | N1 | 179.2° | 180.0° |
| C7 | C3 | N1 | C4 | 0.8° | 0.0° |
| C3 | C7 | C6 | H4 | 179.8° | 180.0° |
| C7 | C3 | N | H5 | 179.5° | 180.0° |
| C5 | C4 | N1 | C3 | 0.2° | 0.0° |
| C5 | C4 | N1 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | H4 | 179.7° | 180.0° |
| C2 | N | C3 | H5 | 180.0° | 180.0° |
| C2 | N | C3 | N1 | 178.7° | 180.0° |
| N | C3 | N1 | C4 | 179.9° | 180.0° |
| C3 | N | C2 | H1 | 180.0° | 180.0° |
| C3 | N1 | C4 | H2 | 179.8° | 180.0° |
| N1 | C3 | N | H5 | 1.3° | 0.0° |
| N1 | C4 | C5 | H3 | 179.8° | 180.0° |
| H1 | C2 | N | H5 | 0.0° | 0.0° |
| H2 | C4 | C5 | H3 | 0.3° | 0.0° |
| H3 | C5 | C6 | H4 | 0.3° | 0.0° |
| H6 | C | O | H8 | 59.1° | 60.1° |
| H7 | C | O | H8 | 59.1° | 60.0° |
