4AN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1A | O1A | doub | 1.22Å | 1.22Å | |
| C1A | C1 | sing | 1.47Å | 1.53Å | |
| C1A | N9 | sing | 1.35Å | 1.35Å | |
| C1 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | C9 | sing | 1.41Å | 1.42Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | N4 | sing | 1.38Å | 1.43Å | |
| C4 | C10 | sing | 1.41Å | 1.43Å | Aromatic |
| N4 | HN41 | sing | 0.97Å | 1.02Å | |
| N4 | HN42 | sing | 0.97Å | 1.02Å | |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C8A | sing | 1.47Å | 1.52Å | |
| C8 | C9 | sing | 1.41Å | 1.42Å | Aromatic |
| C8A | O8A | doub | 1.22Å | 1.23Å | |
| C8A | N9 | sing | 1.35Å | 1.35Å | |
| N9 | HN9 | sing | 0.97Å | 1.02Å | |
| C9 | C10 | doub | 1.41Å | 1.42Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | C1A | C1 | 119.6° | 119.8° |
| O1A | C1A | N9 | 120.8° | 119.7° |
| C1 | C1A | N9 | 119.6° | 120.5° |
| C1A | C1 | C2 | 121.3° | 121.9° |
| C1A | C1 | C9 | 119.2° | 118.7° |
| C1A | N9 | C8A | 123.1° | 122.4° |
| C1A | N9 | HN9 | 118.6° | 118.8° |
| C2 | C1 | C9 | 119.5° | 119.4° |
| C1 | C2 | C3 | 120.1° | 120.3° |
| C1 | C2 | H2 | 120.3° | 119.8° |
| C1 | C9 | C8 | 118.7° | 119.4° |
| C1 | C9 | C10 | 120.6° | 120.3° |
| C3 | C2 | H2 | 119.7° | 119.8° |
| C2 | C3 | C4 | 120.9° | 121.3° |
| C2 | C3 | H3 | 119.6° | 119.3° |
| C4 | C3 | H3 | 119.5° | 119.3° |
| C3 | C4 | N4 | 117.7° | 120.2° |
| C3 | C4 | C10 | 119.8° | 119.7° |
| N4 | C4 | C10 | 122.5° | 120.2° |
| C4 | N4 | HN41 | 117.7° | 120.0° |
| C4 | N4 | HN42 | 109.2° | 120.0° |
| C4 | C10 | C5 | 122.6° | 122.0° |
| C4 | C10 | C9 | 119.2° | 119.0° |
| HN41 | N4 | HN42 | 109.2° | 120.0° |
| C6 | C5 | C10 | 120.9° | 120.0° |
| C6 | C5 | H5 | 119.7° | 120.0° |
| C5 | C6 | C7 | 120.7° | 121.4° |
| C5 | C6 | H6 | 120.0° | 119.3° |
| C10 | C5 | H5 | 119.4° | 120.0° |
| C5 | C10 | C9 | 118.3° | 119.1° |
| C7 | C6 | H6 | 119.3° | 119.4° |
| C6 | C7 | C8 | 119.7° | 120.2° |
| C6 | C7 | H7 | 120.0° | 119.9° |
| C8 | C7 | H7 | 120.3° | 119.9° |
| C7 | C8 | C8A | 120.5° | 122.1° |
| C7 | C8 | C9 | 119.8° | 119.1° |
| C8A | C8 | C9 | 119.8° | 118.7° |
| C8 | C8A | O8A | 119.5° | 119.9° |
| C8 | C8A | N9 | 119.7° | 120.3° |
| C8 | C9 | C10 | 120.7° | 120.3° |
| O8A | C8A | N9 | 120.9° | 119.8° |
| C8A | N9 | HN9 | 118.3° | 118.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | C1A | C1 | N9 | 179.3° | 180.0° |
| O1A | C1A | C1 | C2 | 0.1° | 0.0° |
| O1A | C1A | C1 | C9 | 179.6° | 180.0° |
| O1A | C1A | N9 | C8A | 179.8° | 180.0° |
| O1A | C1A | N9 | HN9 | 0.2° | 0.0° |
| C1A | C1 | C2 | C9 | 179.6° | 180.0° |
| C1A | C1 | C2 | C3 | 180.0° | 180.0° |
| C1A | C1 | C2 | H2 | 0.0° | 0.0° |
| C1A | C1 | C9 | C8 | 0.4° | 0.0° |
| C1 | C1A | N9 | C8A | 0.5° | 0.0° |
| C1 | C1A | N9 | HN9 | 179.5° | 180.0° |
| C1A | C1 | C9 | C10 | 179.8° | 179.8° |
| N9 | C1A | C1 | C2 | 179.4° | 180.0° |
| N9 | C1A | C1 | C9 | 1.1° | 0.0° |
| C1A | N9 | C8A | C8 | 0.6° | 0.0° |
| C1A | N9 | C8A | O8A | 179.1° | 180.0° |
| C1A | N9 | C8A | HN9 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C2 | C1 | C9 | C8 | 180.0° | 180.0° |
| C2 | C1 | C9 | C10 | 0.2° | 0.2° |
| C9 | C1 | C2 | C3 | 0.4° | 0.0° |
| C9 | C1 | C2 | H2 | 179.6° | 180.0° |
| C1 | C9 | C10 | C4 | 0.4° | 0.5° |
| C1 | C9 | C10 | C5 | 179.8° | 179.7° |
| C1 | C9 | C8 | C7 | 179.9° | 180.0° |
| C1 | C9 | C8 | C8A | 0.6° | 0.0° |
| C1 | C9 | C8 | C10 | 179.8° | 179.8° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | N4 | 180.0° | 180.0° |
| C2 | C3 | C4 | C10 | 0.7° | 0.2° |
| H2 | C2 | C3 | C4 | 179.9° | 180.0° |
| H2 | C2 | C3 | H3 | 0.0° | 0.0° |
| C3 | C4 | N4 | C10 | 179.3° | 179.8° |
| C3 | C4 | N4 | HN41 | 180.0° | 0.0° |
| C3 | C4 | N4 | HN42 | 54.7° | 179.7° |
| C3 | C4 | C10 | C5 | 179.3° | 179.7° |
| C3 | C4 | C10 | C9 | 0.9° | 0.5° |
| H3 | C3 | C4 | N4 | 0.0° | 0.0° |
| H3 | C3 | C4 | C10 | 179.3° | 179.8° |
| C4 | N4 | HN41 | HN42 | 125.2° | 179.7° |
| N4 | C4 | C10 | C5 | 0.0° | 0.5° |
| N4 | C4 | C10 | C9 | 179.8° | 179.8° |
| C10 | C4 | N4 | HN41 | 0.7° | 179.8° |
| C10 | C4 | N4 | HN42 | 125.9° | 0.5° |
| C4 | C10 | C5 | C6 | 179.6° | 179.8° |
| C4 | C10 | C5 | C9 | 179.8° | 179.2° |
| C4 | C10 | C5 | H5 | 0.3° | 0.5° |
| C4 | C10 | C9 | C8 | 179.3° | 179.8° |
| C6 | C5 | C10 | H5 | 180.0° | 179.7° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.6° | 0.0° |
| C5 | C6 | C7 | H7 | 179.4° | 180.0° |
| C6 | C5 | C10 | C9 | 0.1° | 0.6° |
| C10 | C5 | C6 | C7 | 0.4° | 0.3° |
| C10 | C5 | C6 | H6 | 179.6° | 179.8° |
| C5 | C10 | C9 | C8 | 0.5° | 0.5° |
| H5 | C5 | C6 | C7 | 179.6° | 179.9° |
| H5 | C5 | C6 | H6 | 0.4° | 0.0° |
| H5 | C5 | C10 | C9 | 179.9° | 179.7° |
| C6 | C7 | C8 | H7 | 179.9° | 180.0° |
| C6 | C7 | C8 | C8A | 179.6° | 180.0° |
| C6 | C7 | C8 | C9 | 0.2° | 0.0° |
| H6 | C6 | C7 | C8 | 179.5° | 179.9° |
| H6 | C6 | C7 | H7 | 0.6° | 0.1° |
| C7 | C8 | C8A | C9 | 179.4° | 180.0° |
| C7 | C8 | C8A | O8A | 0.9° | 0.0° |
| C7 | C8 | C8A | N9 | 179.3° | 180.0° |
| C7 | C8 | C9 | C10 | 0.3° | 0.2° |
| H7 | C7 | C8 | C8A | 0.3° | 0.0° |
| H7 | C7 | C8 | C9 | 179.7° | 180.0° |
| C8 | C8A | O8A | N9 | 179.7° | 180.0° |
| C8 | C8A | N9 | HN9 | 179.4° | 180.0° |
| C8A | C8 | C9 | C10 | 179.1° | 179.8° |
| C9 | C8 | C8A | O8A | 178.5° | 180.0° |
| C9 | C8 | C8A | N9 | 1.2° | 0.0° |
| O8A | C8A | N9 | HN9 | 0.9° | 0.0° |
