AN3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.41Å | 1.36Å | Aromatic |
| C1 | C3 | sing | 1.47Å | 1.36Å | Aromatic |
| C1 | C13 | doub | 1.39Å | 1.36Å | Aromatic |
| C2 | C4 | doub | 1.36Å | 1.37Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C5 | sing | 1.41Å | 1.37Å | Aromatic |
| C3 | C14 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | C6 | sing | 1.40Å | 1.37Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.36Å | 1.37Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.40Å | 1.38Å | Aromatic |
| C7 | C9 | sing | 1.36Å | 1.37Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C10 | sing | 1.36Å | 1.36Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C11 | doub | 1.41Å | 1.36Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C12 | doub | 1.41Å | 1.37Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.47Å | 1.37Å | Aromatic |
| C11 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 120.1° | 118.7° |
| C2 | C1 | C13 | 119.5° | 121.0° |
| C1 | C2 | C4 | 121.0° | 119.6° |
| C1 | C2 | H2 | 119.5° | 120.2° |
| C3 | C1 | C13 | 120.4° | 120.2° |
| C1 | C3 | C5 | 119.3° | 118.7° |
| C1 | C3 | C14 | 119.4° | 120.2° |
| C1 | C13 | C12 | 120.8° | 119.5° |
| C1 | C13 | H13 | 119.6° | 120.2° |
| C4 | C2 | H2 | 119.5° | 120.1° |
| C2 | C4 | C6 | 119.5° | 121.7° |
| C2 | C4 | H4 | 120.3° | 119.2° |
| C5 | C3 | C14 | 121.3° | 121.0° |
| C3 | C5 | C6 | 121.3° | 119.6° |
| C3 | C5 | H5 | 119.3° | 120.2° |
| C3 | C14 | C11 | 120.1° | 119.5° |
| C3 | C14 | H14 | 120.0° | 120.2° |
| C6 | C4 | H4 | 120.3° | 119.2° |
| C4 | C6 | C5 | 118.8° | 121.7° |
| C4 | C6 | H6 | 120.6° | 119.2° |
| C6 | C5 | H5 | 119.3° | 120.2° |
| C5 | C6 | H6 | 120.6° | 119.1° |
| C8 | C7 | C9 | 120.2° | 121.7° |
| C8 | C7 | H7 | 119.9° | 119.1° |
| C7 | C8 | C10 | 119.2° | 121.7° |
| C7 | C8 | H8 | 120.4° | 119.2° |
| C9 | C7 | H7 | 119.9° | 119.2° |
| C7 | C9 | C11 | 121.0° | 119.6° |
| C7 | C9 | H9 | 119.5° | 120.1° |
| C10 | C8 | H8 | 120.4° | 119.2° |
| C8 | C10 | C12 | 119.8° | 119.6° |
| C8 | C10 | H10 | 120.1° | 120.1° |
| C11 | C9 | H9 | 119.5° | 120.2° |
| C9 | C11 | C12 | 118.5° | 118.7° |
| C9 | C11 | C14 | 121.2° | 121.0° |
| C12 | C10 | H10 | 120.1° | 120.2° |
| C10 | C12 | C11 | 121.3° | 118.7° |
| C10 | C12 | C13 | 119.7° | 121.0° |
| C12 | C11 | C14 | 120.3° | 120.2° |
| C11 | C12 | C13 | 119.0° | 120.2° |
| C11 | C14 | H14 | 120.0° | 120.2° |
| C12 | C13 | H13 | 119.6° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | C13 | 177.6° | 180.0° |
| C1 | C2 | C4 | H2 | 180.0° | 179.9° |
| C2 | C1 | C3 | C5 | 0.7° | 0.0° |
| C2 | C1 | C3 | C14 | 178.4° | 180.0° |
| C1 | C2 | C4 | C6 | 0.9° | 0.0° |
| C1 | C2 | C4 | H4 | 179.1° | 180.0° |
| C2 | C1 | C13 | C12 | 179.7° | 180.0° |
| C2 | C1 | C13 | H13 | 0.3° | 0.0° |
| C3 | C1 | C2 | C4 | 0.2° | 0.0° |
| C3 | C1 | C2 | H2 | 179.8° | 179.9° |
| C1 | C3 | C5 | C14 | 177.7° | 180.0° |
| C1 | C3 | C5 | C6 | 0.9° | 0.0° |
| C1 | C3 | C5 | H5 | 179.1° | 180.0° |
| C1 | C3 | C14 | C11 | 0.6° | 0.0° |
| C3 | C1 | C13 | C12 | 2.2° | 0.1° |
| C3 | C1 | C13 | H13 | 177.9° | 180.0° |
| C1 | C3 | C14 | H14 | 179.5° | 179.9° |
| C13 | C1 | C2 | C4 | 177.8° | 180.0° |
| C13 | C1 | C2 | H2 | 2.2° | 0.0° |
| C13 | C1 | C3 | C5 | 176.9° | 180.0° |
| C13 | C1 | C3 | C14 | 0.9° | 0.0° |
| C1 | C13 | C12 | C10 | 177.9° | 180.0° |
| C1 | C13 | C12 | C11 | 2.0° | 0.1° |
| C1 | C13 | C12 | H13 | 180.0° | 179.9° |
| C2 | C4 | C6 | H4 | 180.0° | 180.0° |
| C2 | C4 | C6 | C5 | 0.6° | 0.0° |
| C2 | C4 | C6 | H6 | 179.4° | 180.0° |
| H2 | C2 | C4 | C6 | 179.1° | 179.9° |
| H2 | C2 | C4 | H4 | 0.8° | 0.1° |
| C3 | C5 | C6 | C4 | 0.3° | 0.0° |
| C3 | C5 | C6 | H5 | 180.0° | 180.0° |
| C3 | C5 | C6 | H6 | 179.7° | 180.0° |
| C5 | C3 | C14 | C11 | 178.3° | 180.0° |
| C5 | C3 | C14 | H14 | 1.7° | 0.1° |
| C14 | C3 | C5 | C6 | 178.6° | 180.0° |
| C14 | C3 | C5 | H5 | 1.3° | 0.0° |
| C3 | C14 | C11 | C9 | 179.5° | 180.0° |
| C3 | C14 | C11 | C12 | 0.7° | 0.0° |
| C3 | C14 | C11 | H14 | 180.0° | 179.9° |
| C4 | C6 | C5 | H6 | 180.0° | 180.0° |
| C4 | C6 | C5 | H5 | 179.7° | 180.0° |
| H4 | C4 | C6 | C5 | 179.4° | 180.0° |
| H4 | C4 | C6 | H6 | 0.6° | 0.0° |
| H5 | C5 | C6 | H6 | 0.3° | 0.0° |
| C8 | C7 | C9 | H7 | 180.0° | 179.9° |
| C7 | C8 | C10 | H8 | 180.0° | 179.8° |
| C8 | C7 | C9 | C11 | 2.5° | 0.0° |
| C8 | C7 | C9 | H9 | 177.5° | 179.9° |
| C7 | C8 | C10 | C12 | 0.6° | 0.0° |
| C7 | C8 | C10 | H10 | 179.4° | 180.0° |
| C9 | C7 | C8 | C10 | 1.4° | 0.0° |
| C9 | C7 | C8 | H8 | 178.6° | 179.8° |
| C7 | C9 | C11 | H9 | 180.0° | 179.9° |
| C7 | C9 | C11 | C12 | 2.6° | 0.0° |
| C7 | C9 | C11 | C14 | 178.5° | 180.0° |
| H7 | C7 | C8 | C10 | 178.6° | 179.9° |
| H7 | C7 | C8 | H8 | 1.4° | 0.3° |
| H7 | C7 | C9 | C11 | 177.5° | 179.9° |
| H7 | C7 | C9 | H9 | 2.5° | 0.0° |
| C8 | C10 | C12 | H10 | 180.0° | 180.0° |
| C8 | C10 | C12 | C11 | 0.8° | 0.0° |
| C8 | C10 | C12 | C13 | 179.2° | 180.0° |
| H8 | C8 | C10 | C12 | 179.4° | 179.8° |
| H8 | C8 | C10 | H10 | 0.6° | 0.2° |
| C9 | C11 | C12 | C10 | 1.8° | 0.0° |
| C9 | C11 | C12 | C14 | 178.9° | 180.0° |
| C9 | C11 | C12 | C13 | 178.3° | 180.0° |
| C9 | C11 | C14 | H14 | 0.5° | 0.1° |
| H9 | C9 | C11 | C12 | 177.4° | 179.9° |
| H9 | C9 | C11 | C14 | 1.5° | 0.1° |
| C10 | C12 | C11 | C13 | 179.9° | 180.0° |
| C10 | C12 | C11 | C14 | 179.3° | 180.0° |
| C10 | C12 | C13 | H13 | 2.1° | 0.0° |
| H10 | C10 | C12 | C11 | 179.2° | 180.0° |
| H10 | C10 | C12 | C13 | 0.7° | 0.0° |
| C11 | C12 | C13 | H13 | 178.0° | 180.0° |
| C12 | C11 | C14 | H14 | 179.3° | 179.9° |
| C14 | C11 | C12 | C13 | 0.6° | 0.0° |
