9AP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.36Å | 1.41Å | Aromatic |
| C1 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C5 | doub | 1.37Å | 1.40Å | Aromatic |
| C3 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C6 | doub | 1.41Å | 1.42Å | Aromatic |
| C4 | C7 | sing | 1.46Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C11 | sing | 1.46Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.39Å | Aromatic |
| C7 | N1 | sing | 1.39Å | 1.36Å | |
| C8 | C9 | sing | 1.41Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N1 | HN11 | sing | 0.97Å | 1.02Å | |
| N1 | HN12 | sing | 0.97Å | 1.02Å | |
| C9 | C10 | sing | 1.41Å | 1.39Å | Aromatic |
| C9 | C11 | doub | 1.41Å | 1.40Å | Aromatic |
| C10 | C12 | doub | 1.36Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.37Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 119.4° | 120.9° |
| C2 | C1 | H1 | 120.8° | 119.5° |
| C1 | C2 | C4 | 122.6° | 119.7° |
| C1 | C2 | H2 | 118.7° | 120.2° |
| C5 | C1 | H1 | 119.8° | 119.6° |
| C1 | C5 | C3 | 118.7° | 120.8° |
| C1 | C5 | H5 | 120.5° | 119.6° |
| C4 | C2 | H2 | 118.7° | 120.1° |
| C2 | C4 | C6 | 118.1° | 119.4° |
| C2 | C4 | C7 | 122.0° | 121.3° |
| C5 | C3 | C6 | 122.6° | 119.7° |
| C5 | C3 | H3 | 118.0° | 120.2° |
| C3 | C5 | H5 | 120.7° | 119.6° |
| C6 | C3 | H3 | 119.5° | 120.2° |
| C3 | C6 | C4 | 118.6° | 119.6° |
| C3 | C6 | C11 | 120.8° | 121.5° |
| C6 | C4 | C7 | 119.9° | 119.3° |
| C4 | C6 | C11 | 120.6° | 118.9° |
| C4 | C7 | C8 | 118.4° | 120.6° |
| C4 | C7 | N1 | 126.0° | 119.7° |
| C6 | C11 | C9 | 119.0° | 119.3° |
| C6 | C11 | C14 | 124.6° | 121.0° |
| C8 | C7 | N1 | 115.6° | 119.7° |
| C7 | C8 | C9 | 121.8° | 121.5° |
| C7 | C8 | H8 | 119.2° | 119.3° |
| C7 | N1 | HN11 | 126.0° | 120.0° |
| C7 | N1 | HN12 | 106.4° | 120.0° |
| C9 | C8 | H8 | 119.0° | 119.3° |
| C8 | C9 | C10 | 117.7° | 120.5° |
| C8 | C9 | C11 | 120.3° | 120.4° |
| HN11 | N1 | HN12 | 106.4° | 120.0° |
| C10 | C9 | C11 | 122.0° | 119.1° |
| C9 | C10 | C12 | 120.5° | 119.9° |
| C9 | C10 | H10 | 119.6° | 120.0° |
| C9 | C11 | C14 | 116.4° | 119.7° |
| C12 | C10 | H10 | 120.0° | 120.1° |
| C10 | C12 | C13 | 118.9° | 120.9° |
| C10 | C12 | H12 | 120.5° | 119.7° |
| C11 | C14 | C13 | 122.5° | 119.8° |
| C11 | C14 | H14 | 119.0° | 120.1° |
| C13 | C12 | H12 | 120.6° | 119.5° |
| C12 | C13 | C14 | 119.8° | 120.7° |
| C12 | C13 | H13 | 120.2° | 119.7° |
| C14 | C13 | H13 | 120.0° | 119.6° |
| C13 | C14 | H14 | 118.6° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | H1 | 179.9° | 180.0° |
| C1 | C2 | C4 | H2 | 180.0° | 179.8° |
| C2 | C1 | C5 | C3 | 0.1° | 0.0° |
| C1 | C2 | C4 | C6 | 0.6° | 0.5° |
| C1 | C2 | C4 | C7 | 179.7° | 179.8° |
| C2 | C1 | C5 | H5 | 179.9° | 179.9° |
| C5 | C1 | C2 | C4 | 0.3° | 0.2° |
| C5 | C1 | C2 | H2 | 179.7° | 180.0° |
| C1 | C5 | C3 | H5 | 180.0° | 179.9° |
| C1 | C5 | C3 | C6 | 0.3° | 0.0° |
| C1 | C5 | C3 | H3 | 179.7° | 179.9° |
| H1 | C1 | C2 | C4 | 179.6° | 179.8° |
| H1 | C1 | C2 | H2 | 0.4° | 0.0° |
| H1 | C1 | C5 | C3 | 179.8° | 180.0° |
| H1 | C1 | C5 | H5 | 0.1° | 0.1° |
| C2 | C4 | C6 | C3 | 0.7° | 0.5° |
| C2 | C4 | C6 | C7 | 179.2° | 179.3° |
| C2 | C4 | C6 | C11 | 179.9° | 179.8° |
| C2 | C4 | C7 | C8 | 179.8° | 179.8° |
| C2 | C4 | C7 | N1 | 0.7° | 0.5° |
| H2 | C2 | C4 | C6 | 179.4° | 179.8° |
| H2 | C2 | C4 | C7 | 0.3° | 0.5° |
| C5 | C3 | C6 | H3 | 180.0° | 179.9° |
| C5 | C3 | C6 | C4 | 0.6° | 0.2° |
| C5 | C3 | C6 | C11 | 179.7° | 180.0° |
| C3 | C6 | C4 | C11 | 179.2° | 179.8° |
| C3 | C6 | C4 | C7 | 179.9° | 179.8° |
| C6 | C3 | C5 | H5 | 179.8° | 179.9° |
| C3 | C6 | C11 | C9 | 179.9° | 180.0° |
| C3 | C6 | C11 | C14 | 0.3° | 0.0° |
| H3 | C3 | C6 | C4 | 179.5° | 179.8° |
| H3 | C3 | C5 | H5 | 0.2° | 0.0° |
| H3 | C3 | C6 | C11 | 0.3° | 0.1° |
| C6 | C4 | C7 | C8 | 0.7° | 0.5° |
| C6 | C4 | C7 | N1 | 179.8° | 179.8° |
| C4 | C6 | C11 | C9 | 1.0° | 0.2° |
| C4 | C6 | C11 | C14 | 179.4° | 179.8° |
| C7 | C4 | C6 | C11 | 1.0° | 0.5° |
| C4 | C7 | C8 | N1 | 179.6° | 179.8° |
| C4 | C7 | C8 | C9 | 0.4° | 0.2° |
| C4 | C7 | C8 | H8 | 179.6° | 179.8° |
| C4 | C7 | N1 | HN11 | 180.0° | 179.8° |
| C4 | C7 | N1 | HN12 | 54.7° | 0.5° |
| C6 | C11 | C9 | C8 | 0.7° | 0.0° |
| C6 | C11 | C9 | C10 | 179.7° | 180.0° |
| C6 | C11 | C9 | C14 | 179.7° | 180.0° |
| C6 | C11 | C14 | C13 | 179.8° | 180.0° |
| C6 | C11 | C14 | H14 | 0.2° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C8 | C7 | N1 | HN11 | 0.4° | 0.0° |
| C8 | C7 | N1 | HN12 | 125.7° | 179.7° |
| C7 | C8 | C9 | C10 | 180.0° | 180.0° |
| C7 | C8 | C9 | C11 | 0.4° | 0.0° |
| N1 | C7 | C8 | C9 | 180.0° | 180.0° |
| N1 | C7 | C8 | H8 | 0.0° | 0.1° |
| C7 | N1 | HN11 | HN12 | 125.3° | 179.7° |
| C8 | C9 | C10 | C11 | 179.7° | 180.0° |
| C8 | C9 | C10 | C12 | 179.5° | 180.0° |
| C8 | C9 | C10 | H10 | 0.5° | 0.0° |
| C8 | C9 | C11 | C14 | 179.7° | 180.0° |
| H8 | C8 | C9 | C10 | 0.1° | 0.1° |
| H8 | C8 | C9 | C11 | 179.6° | 179.9° |
| C9 | C10 | C12 | H10 | 180.0° | 180.0° |
| C10 | C9 | C11 | C14 | 0.0° | 0.0° |
| C9 | C10 | C12 | C13 | 0.1° | 0.0° |
| C9 | C10 | C12 | H12 | 179.8° | 180.0° |
| C11 | C9 | C10 | C12 | 0.1° | 0.0° |
| C11 | C9 | C10 | H10 | 179.9° | 180.0° |
| C9 | C11 | C14 | C13 | 0.2° | 0.0° |
| C9 | C11 | C14 | H14 | 179.8° | 180.0° |
| C10 | C12 | C13 | H12 | 180.0° | 180.0° |
| C10 | C12 | C13 | C14 | 0.0° | 0.0° |
| C10 | C12 | C13 | H13 | 180.0° | 180.0° |
| H10 | C10 | C12 | C13 | 179.9° | 180.0° |
| H10 | C10 | C12 | H12 | 0.2° | 0.0° |
| C11 | C14 | C13 | C12 | 0.2° | 0.0° |
| C11 | C14 | C13 | H14 | 180.0° | 180.0° |
| C11 | C14 | C13 | H13 | 179.8° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | H14 | 179.8° | 180.0° |
| H12 | C12 | C13 | C14 | 180.0° | 180.0° |
| H12 | C12 | C13 | H13 | 0.0° | 0.0° |
| H13 | C13 | C14 | H14 | 0.2° | 0.0° |
