8AP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.42Å | 1.40Å | |
| N1 | HN11 | sing | 1.00Å | 1.00Å | |
| N1 | HN12 | sing | 1.00Å | 1.00Å | |
| C2 | N3 | doub | 1.35Å | 1.33Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| N3 | C4 | sing | 1.35Å | 1.33Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C7 | N8 | sing | 1.39Å | 1.40Å | |
| N8 | C9 | sing | 1.44Å | 1.47Å | |
| N8 | HN8 | sing | 1.02Å | 1.00Å | |
| C9 | C10 | sing | 1.49Å | 1.52Å | |
| C9 | H91 | sing | 1.10Å | 1.10Å | |
| C9 | H92 | sing | 1.10Å | 1.10Å | |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | H11 | sing | 1.09Å | 1.08Å | |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.08Å | |
| C13 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | HN11 | 109.5° | 118.9° |
| C2 | N1 | HN12 | 109.5° | 118.8° |
| N1 | C2 | N3 | 119.1° | 117.6° |
| N1 | C2 | C7 | 121.5° | 117.6° |
| HN11 | N1 | HN12 | 109.5° | 122.1° |
| N3 | C2 | C7 | 119.4° | 124.8° |
| C2 | N3 | C4 | 123.0° | 116.4° |
| C2 | C7 | C6 | 118.9° | 116.5° |
| C2 | C7 | N8 | 121.2° | 123.0° |
| N3 | C4 | C5 | 120.4° | 124.0° |
| N3 | C4 | H4 | 119.8° | 115.2° |
| C5 | C4 | H4 | 119.8° | 120.8° |
| C4 | C5 | C6 | 118.9° | 118.0° |
| C4 | C5 | H5 | 120.5° | 121.0° |
| C6 | C5 | H5 | 120.5° | 121.0° |
| C5 | C6 | C7 | 119.3° | 120.4° |
| C5 | C6 | H6 | 120.3° | 119.6° |
| C7 | C6 | H6 | 120.3° | 120.0° |
| C6 | C7 | N8 | 119.8° | 120.5° |
| C7 | N8 | C9 | 119.2° | 123.8° |
| C7 | N8 | HN8 | 106.4° | 118.0° |
| C9 | N8 | HN8 | 106.3° | 118.2° |
| N8 | C9 | C10 | 111.7° | 112.4° |
| N8 | C9 | H91 | 108.7° | 107.4° |
| N8 | C9 | H92 | 108.2° | 107.3° |
| C10 | C9 | H91 | 108.7° | 111.1° |
| C10 | C9 | H92 | 108.2° | 111.6° |
| C9 | C10 | C11 | 121.7° | 120.0° |
| C9 | C10 | C15 | 119.0° | 120.0° |
| H91 | C9 | H92 | 111.2° | 106.8° |
| C11 | C10 | C15 | 119.4° | 120.0° |
| C10 | C11 | C12 | 120.9° | 120.0° |
| C10 | C11 | H11 | 119.6° | 120.5° |
| C10 | C15 | C14 | 119.8° | 120.0° |
| C10 | C15 | H15 | 120.1° | 120.5° |
| C12 | C11 | H11 | 119.5° | 119.5° |
| C11 | C12 | C13 | 119.4° | 120.0° |
| C11 | C12 | H12 | 120.3° | 120.0° |
| C13 | C12 | H12 | 120.3° | 120.0° |
| C12 | C13 | C14 | 119.9° | 120.0° |
| C12 | C13 | H13 | 120.0° | 120.0° |
| C14 | C13 | H13 | 120.1° | 119.9° |
| C13 | C14 | C15 | 120.6° | 119.9° |
| C13 | C14 | H14 | 119.7° | 120.0° |
| C15 | C14 | H14 | 119.7° | 120.1° |
| C14 | C15 | H15 | 120.1° | 119.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | HN11 | HN12 | 120.0° | 173.5° |
| N1 | C2 | N3 | C7 | 179.6° | 180.0° |
| N1 | C2 | N3 | C4 | 179.7° | 180.0° |
| N1 | C2 | C7 | C6 | 178.9° | 180.0° |
| N1 | C2 | C7 | N8 | 1.1° | 0.1° |
| HN11 | N1 | C2 | N3 | 151.1° | 57.1° |
| HN11 | N1 | C2 | C7 | 28.4° | 122.9° |
| HN12 | N1 | C2 | N3 | 88.9° | 116.7° |
| HN12 | N1 | C2 | C7 | 91.6° | 63.3° |
| C2 | N3 | C4 | C5 | 0.2° | 0.0° |
| C2 | N3 | C4 | H4 | 179.8° | 180.0° |
| N3 | C2 | C7 | C6 | 1.5° | 0.1° |
| N3 | C2 | C7 | N8 | 179.3° | 179.9° |
| C7 | C2 | N3 | C4 | 0.7° | 0.0° |
| C2 | C7 | C6 | C5 | 1.5° | 0.1° |
| C2 | C7 | C6 | N8 | 177.8° | 179.9° |
| C2 | C7 | C6 | H6 | 178.5° | 180.0° |
| C2 | C7 | N8 | C9 | 159.7° | 179.9° |
| C2 | C7 | N8 | HN8 | 39.7° | 0.0° |
| N3 | C4 | C5 | H4 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.3° | 0.0° |
| N3 | C4 | C5 | H5 | 179.7° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.6° | 0.1° |
| C4 | C5 | C6 | H6 | 179.4° | 180.0° |
| H4 | C4 | C5 | C6 | 179.7° | 180.0° |
| H4 | C4 | C5 | H5 | 0.3° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | N8 | 179.3° | 179.9° |
| H5 | C5 | C6 | C7 | 179.4° | 180.0° |
| H5 | C5 | C6 | H6 | 0.6° | 0.1° |
| C6 | C7 | N8 | C9 | 18.0° | 0.0° |
| C6 | C7 | N8 | HN8 | 138.0° | 179.8° |
| H6 | C6 | C7 | N8 | 0.7° | 0.1° |
| C7 | N8 | C9 | HN8 | 120.0° | 179.9° |
| C7 | N8 | C9 | C10 | 65.6° | 177.5° |
| C7 | N8 | C9 | H91 | 174.4° | 60.0° |
| C7 | N8 | C9 | H92 | 53.5° | 54.5° |
| N8 | C9 | C10 | H91 | 120.0° | 120.4° |
| N8 | C9 | C10 | H92 | 119.0° | 120.6° |
| N8 | C9 | H91 | H92 | 119.1° | 114.9° |
| N8 | C9 | C10 | C11 | 3.6° | 90.0° |
| N8 | C9 | C10 | C15 | 176.6° | 90.0° |
| HN8 | N8 | C9 | C10 | 54.4° | 2.4° |
| HN8 | N8 | C9 | H91 | 65.6° | 120.1° |
| HN8 | N8 | C9 | H92 | 173.5° | 125.4° |
| C10 | C9 | H91 | H92 | 119.1° | 121.9° |
| C9 | C10 | C11 | C15 | 179.7° | 180.0° |
| C9 | C10 | C11 | C12 | 179.8° | 180.0° |
| C9 | C10 | C11 | H11 | 0.2° | 0.0° |
| C9 | C10 | C15 | C14 | 179.5° | 180.0° |
| C9 | C10 | C15 | H15 | 0.5° | 0.0° |
| H91 | C9 | C10 | C11 | 116.3° | 30.4° |
| H91 | C9 | C10 | C15 | 63.4° | 149.6° |
| H92 | C9 | C10 | C11 | 122.7° | 149.5° |
| H92 | C9 | C10 | C15 | 57.6° | 30.6° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C10 | C11 | C12 | H12 | 179.8° | 180.0° |
| C11 | C10 | C15 | C14 | 0.2° | 0.0° |
| C11 | C10 | C15 | H15 | 179.8° | 180.0° |
| C15 | C10 | C11 | C12 | 0.0° | 0.0° |
| C15 | C10 | C11 | H11 | 180.0° | 180.0° |
| C10 | C15 | C14 | C13 | 0.3° | 0.0° |
| C10 | C15 | C14 | H15 | 180.0° | 180.0° |
| C10 | C15 | C14 | H14 | 179.7° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| H11 | C11 | C12 | C13 | 179.8° | 180.0° |
| H11 | C11 | C12 | H12 | 0.2° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C12 | C13 | C14 | H14 | 179.9° | 180.0° |
| H12 | C12 | C13 | C14 | 179.9° | 180.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | H15 | 179.7° | 180.0° |
| H13 | C13 | C14 | C15 | 179.9° | 180.0° |
| H13 | C13 | C14 | H14 | 0.1° | 0.0° |
| H14 | C14 | C15 | H15 | 0.3° | 0.0° |
