ANC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.41Å | 1.44Å | Aromatic |
| C1 | C3 | sing | 1.47Å | 1.42Å | Aromatic |
| C1 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | C4 | sing | 1.36Å | 1.45Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.10Å | |
| C3 | C5 | doub | 1.42Å | 1.43Å | Aromatic |
| C3 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| C4 | C6 | doub | 1.39Å | 1.45Å | Aromatic |
| C4 | HC4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.37Å | 1.41Å | Aromatic |
| C5 | N1 | sing | 1.39Å | 1.51Å | |
| C6 | HC6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.39Å | 1.54Å | Aromatic |
| C7 | C9 | doub | 1.36Å | 1.41Å | Aromatic |
| C7 | HC7 | sing | 1.08Å | 1.10Å | |
| C8 | C10 | doub | 1.36Å | 1.41Å | Aromatic |
| C8 | HC8 | sing | 1.08Å | 1.10Å | |
| C9 | C11 | sing | 1.41Å | 1.43Å | Aromatic |
| C9 | HC9 | sing | 1.08Å | 1.10Å | |
| C10 | C12 | sing | 1.41Å | 1.42Å | Aromatic |
| C10 | H10C | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.47Å | 1.43Å | Aromatic |
| C11 | C14 | doub | 1.39Å | 1.53Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.51Å | Aromatic |
| C13 | H13C | sing | 1.08Å | 1.10Å | |
| C14 | H14C | sing | 1.08Å | 1.10Å | |
| N1 | H1N | sing | 0.97Å | 1.02Å | |
| N1 | H2N | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 120.4° | 118.8° |
| C2 | C1 | C13 | 117.0° | 121.0° |
| C1 | C2 | C4 | 119.5° | 119.7° |
| C1 | C2 | HC2 | 119.9° | 120.1° |
| C3 | C1 | C13 | 122.6° | 120.2° |
| C1 | C3 | C5 | 120.0° | 118.7° |
| C1 | C3 | C14 | 125.9° | 120.3° |
| C1 | C13 | C12 | 115.4° | 119.5° |
| C1 | C13 | H13C | 119.1° | 120.2° |
| C4 | C2 | HC2 | 120.6° | 120.1° |
| C2 | C4 | C6 | 118.7° | 121.8° |
| C2 | C4 | HC4 | 120.7° | 119.1° |
| C5 | C3 | C14 | 114.1° | 121.1° |
| C3 | C5 | C6 | 120.8° | 119.4° |
| C3 | C5 | N1 | 121.8° | 120.3° |
| C3 | C14 | C11 | 113.5° | 119.6° |
| C3 | C14 | H14C | 120.0° | 120.2° |
| C6 | C4 | HC4 | 120.6° | 119.0° |
| C4 | C6 | C5 | 120.6° | 121.6° |
| C4 | C6 | HC6 | 121.2° | 119.2° |
| C6 | C5 | N1 | 117.4° | 120.3° |
| C5 | C6 | HC6 | 118.2° | 119.2° |
| C5 | N1 | H1N | 121.7° | 120.0° |
| C5 | N1 | H2N | 107.8° | 120.0° |
| C8 | C7 | C9 | 119.3° | 121.7° |
| C8 | C7 | HC7 | 124.5° | 119.2° |
| C7 | C8 | C10 | 117.8° | 121.7° |
| C7 | C8 | HC8 | 125.3° | 119.2° |
| C9 | C7 | HC7 | 116.2° | 119.1° |
| C7 | C9 | C11 | 120.4° | 119.6° |
| C7 | C9 | HC9 | 119.3° | 120.2° |
| C10 | C8 | HC8 | 117.0° | 119.1° |
| C8 | C10 | C12 | 121.2° | 119.5° |
| C8 | C10 | H10C | 119.1° | 120.2° |
| C11 | C9 | HC9 | 120.3° | 120.2° |
| C9 | C11 | C12 | 120.2° | 118.7° |
| C9 | C11 | C14 | 119.4° | 121.1° |
| C12 | C10 | H10C | 119.7° | 120.2° |
| C10 | C12 | C11 | 121.1° | 118.7° |
| C10 | C12 | C13 | 116.7° | 121.1° |
| C12 | C11 | C14 | 120.4° | 120.1° |
| C11 | C12 | C13 | 122.2° | 120.2° |
| C11 | C14 | H14C | 126.4° | 120.1° |
| C12 | C13 | H13C | 125.5° | 120.2° |
| H1N | N1 | H2N | 107.9° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | C13 | 179.4° | 179.8° |
| C1 | C2 | C4 | HC2 | 180.0° | 179.9° |
| C2 | C1 | C3 | C5 | 0.3° | 0.4° |
| C2 | C1 | C3 | C14 | 179.9° | 179.8° |
| C1 | C2 | C4 | C6 | 0.2° | 0.0° |
| C1 | C2 | C4 | HC4 | 179.9° | 180.0° |
| C2 | C1 | C13 | C12 | 179.8° | 180.0° |
| C2 | C1 | C13 | H13C | 0.3° | 0.0° |
| C3 | C1 | C2 | C4 | 0.2° | 0.2° |
| C3 | C1 | C2 | HC2 | 179.8° | 179.8° |
| C1 | C3 | C5 | C14 | 179.6° | 179.3° |
| C1 | C3 | C5 | C6 | 0.4° | 0.4° |
| C1 | C3 | C5 | N1 | 180.0° | 179.8° |
| C1 | C3 | C14 | C11 | 0.6° | 0.5° |
| C3 | C1 | C13 | C12 | 0.3° | 0.2° |
| C3 | C1 | C13 | H13C | 179.7° | 179.8° |
| C1 | C3 | C14 | H14C | 179.4° | 179.7° |
| C13 | C1 | C2 | C4 | 179.6° | 180.0° |
| C13 | C1 | C2 | HC2 | 0.3° | 0.1° |
| C13 | C1 | C3 | C5 | 179.7° | 179.8° |
| C13 | C1 | C3 | C14 | 0.7° | 0.5° |
| C1 | C13 | C12 | C10 | 179.9° | 180.0° |
| C1 | C13 | C12 | C11 | 0.1° | 0.0° |
| C1 | C13 | C12 | H13C | 180.0° | 180.0° |
| C2 | C4 | C6 | HC4 | 180.0° | 180.0° |
| C2 | C4 | C6 | C5 | 0.3° | 0.0° |
| C2 | C4 | C6 | HC6 | 179.7° | 180.0° |
| HC2 | C2 | C4 | C6 | 179.8° | 179.9° |
| HC2 | C2 | C4 | HC4 | 0.2° | 0.1° |
| C3 | C5 | C6 | C4 | 0.4° | 0.2° |
| C3 | C5 | C6 | N1 | 179.6° | 179.8° |
| C3 | C5 | C6 | HC6 | 179.5° | 179.8° |
| C5 | C3 | C14 | C11 | 179.8° | 179.8° |
| C5 | C3 | C14 | H14C | 0.2° | 0.4° |
| C3 | C5 | N1 | H1N | 180.0° | 179.8° |
| C3 | C5 | N1 | H2N | 54.7° | 0.6° |
| C14 | C3 | C5 | C6 | 180.0° | 179.8° |
| C14 | C3 | C5 | N1 | 0.4° | 0.5° |
| C3 | C14 | C11 | C9 | 179.8° | 179.8° |
| C3 | C14 | C11 | C12 | 0.1° | 0.2° |
| C3 | C14 | C11 | H14C | 180.0° | 179.8° |
| C4 | C6 | C5 | HC6 | 180.0° | 180.0° |
| C4 | C6 | C5 | N1 | 180.0° | 180.0° |
| HC4 | C4 | C6 | C5 | 179.7° | 180.0° |
| HC4 | C4 | C6 | HC6 | 0.3° | 0.0° |
| C6 | C5 | N1 | H1N | 0.4° | 0.0° |
| C6 | C5 | N1 | H2N | 125.7° | 179.7° |
| N1 | C5 | C6 | HC6 | 0.0° | 0.0° |
| C5 | N1 | H1N | H2N | 125.3° | 179.7° |
| C8 | C7 | C9 | HC7 | 180.0° | 180.0° |
| C7 | C8 | C10 | HC8 | 180.0° | 180.0° |
| C8 | C7 | C9 | C11 | 0.1° | 0.0° |
| C8 | C7 | C9 | HC9 | 179.9° | 180.0° |
| C7 | C8 | C10 | C12 | 0.2° | 0.0° |
| C7 | C8 | C10 | H10C | 179.8° | 180.0° |
| C9 | C7 | C8 | C10 | 0.1° | 0.0° |
| C9 | C7 | C8 | HC8 | 179.9° | 180.0° |
| C7 | C9 | C11 | HC9 | 180.0° | 180.0° |
| C7 | C9 | C11 | C12 | 0.2° | 0.0° |
| C7 | C9 | C11 | C14 | 179.7° | 180.0° |
| HC7 | C7 | C8 | C10 | 179.8° | 180.0° |
| HC7 | C7 | C8 | HC8 | 0.1° | 0.0° |
| HC7 | C7 | C9 | C11 | 180.0° | 180.0° |
| HC7 | C7 | C9 | HC9 | 0.1° | 0.0° |
| C8 | C10 | C12 | H10C | 180.0° | 180.0° |
| C8 | C10 | C12 | C11 | 0.0° | 0.0° |
| C8 | C10 | C12 | C13 | 180.0° | 180.0° |
| HC8 | C8 | C10 | C12 | 179.9° | 180.0° |
| HC8 | C8 | C10 | H10C | 0.1° | 0.0° |
| C9 | C11 | C12 | C10 | 0.2° | 0.0° |
| C9 | C11 | C12 | C14 | 180.0° | 180.0° |
| C9 | C11 | C12 | C13 | 179.9° | 180.0° |
| C9 | C11 | C14 | H14C | 0.2° | 0.1° |
| HC9 | C9 | C11 | C12 | 179.8° | 180.0° |
| HC9 | C9 | C11 | C14 | 0.3° | 0.0° |
| C10 | C12 | C11 | C13 | 180.0° | 180.0° |
| C10 | C12 | C11 | C14 | 179.8° | 180.0° |
| C10 | C12 | C13 | H13C | 0.2° | 0.0° |
| H10C | C10 | C12 | C11 | 180.0° | 180.0° |
| H10C | C10 | C12 | C13 | 0.1° | 0.0° |
| C11 | C12 | C13 | H13C | 179.9° | 180.0° |
| C12 | C11 | C14 | H14C | 179.8° | 179.9° |
| C14 | C11 | C12 | C13 | 0.2° | 0.0° |
