8ET
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C9 | doub | 1.22Å | 1.23Å | |
| C | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.36Å | 1.36Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| N2 | C13 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | C10 | sing | 1.48Å | 1.49Å | |
| C9 | N1 | sing | 1.35Å | 1.36Å | |
| C1 | C2 | doub | 1.41Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | N1 | sing | 1.39Å | 1.42Å | |
| C7 | C3 | doub | 1.41Å | 1.43Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.42Å | 1.42Å | Aromatic |
| C2 | N | sing | 1.34Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| N | C6 | doub | 1.31Å | 1.32Å | Aromatic |
| C4 | C5 | doub | 1.37Å | 1.36Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C | H | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C9 | C10 | 120.9° | 120.0° |
| O | C9 | N1 | 123.5° | 120.0° |
| C8 | C | C1 | 121.2° | 121.2° |
| C | C8 | C7 | 120.6° | 120.6° |
| C | C8 | H5 | 119.7° | 119.7° |
| C8 | C | H | 119.4° | 119.4° |
| C | C1 | C2 | 120.4° | 120.0° |
| C1 | C | H | 119.4° | 119.4° |
| C | C1 | H1 | 119.8° | 120.0° |
| C8 | C7 | N1 | 122.0° | 120.3° |
| C8 | C7 | C3 | 120.0° | 119.3° |
| C7 | C8 | H5 | 119.7° | 119.7° |
| N2 | C14 | C10 | 123.8° | 120.6° |
| C14 | N2 | C13 | 117.4° | 121.9° |
| N2 | C14 | H10 | 118.1° | 119.7° |
| C14 | C10 | C9 | 120.9° | 120.5° |
| C14 | C10 | C11 | 117.2° | 118.9° |
| C10 | C14 | H10 | 118.1° | 119.7° |
| N2 | C13 | C12 | 123.3° | 121.1° |
| N2 | C13 | H9 | 118.3° | 119.4° |
| C10 | C9 | N1 | 115.7° | 120.0° |
| C9 | C10 | C11 | 121.9° | 120.6° |
| C9 | N1 | C7 | 126.5° | 120.0° |
| C9 | N1 | H6 | 116.7° | 120.0° |
| C1 | C2 | C3 | 119.3° | 119.2° |
| C1 | C2 | N | 118.3° | 121.0° |
| C2 | C1 | H1 | 119.8° | 119.9° |
| C10 | C11 | C12 | 119.8° | 118.3° |
| C10 | C11 | H7 | 120.1° | 120.9° |
| N1 | C7 | C3 | 118.0° | 120.4° |
| C7 | N1 | H6 | 116.7° | 120.0° |
| C7 | C3 | C2 | 118.5° | 119.6° |
| C7 | C3 | C4 | 124.1° | 121.3° |
| C13 | C12 | C11 | 118.4° | 119.3° |
| C13 | C12 | H8 | 120.8° | 120.3° |
| C12 | C13 | H9 | 118.4° | 119.5° |
| C3 | C2 | N | 122.3° | 119.8° |
| C2 | C3 | C4 | 117.4° | 119.1° |
| C2 | N | C6 | 117.2° | 121.3° |
| C3 | C4 | C5 | 119.8° | 118.1° |
| C3 | C4 | H2 | 120.1° | 120.9° |
| C12 | C11 | H7 | 120.1° | 120.8° |
| C11 | C12 | H8 | 120.8° | 120.4° |
| N | C6 | C5 | 124.5° | 121.7° |
| N | C6 | H4 | 117.8° | 119.1° |
| C4 | C5 | C6 | 118.8° | 119.9° |
| C5 | C4 | H2 | 120.1° | 120.9° |
| C4 | C5 | H3 | 120.6° | 120.0° |
| C6 | C5 | H3 | 120.6° | 120.1° |
| C5 | C6 | H4 | 117.7° | 119.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C9 | C10 | C14 | 22.3° | 180.0° |
| O | C9 | C10 | N1 | 179.8° | 179.9° |
| O | C9 | C10 | C11 | 156.7° | 0.0° |
| O | C9 | N1 | C7 | 0.4° | 5.5° |
| O | C9 | N1 | H6 | 179.6° | 174.5° |
| C8 | C | C1 | H | 180.0° | 179.9° |
| C | C8 | C7 | H5 | 180.0° | 180.0° |
| C8 | C | C1 | C2 | 0.3° | 0.0° |
| C | C8 | C7 | N1 | 179.4° | 179.9° |
| C | C8 | C7 | C3 | 0.0° | 0.0° |
| C8 | C | C1 | H1 | 179.7° | 180.0° |
| C1 | C | C8 | C7 | 0.4° | 0.1° |
| C | C1 | C2 | H1 | 180.0° | 180.0° |
| C | C1 | C2 | C3 | 0.0° | 0.0° |
| C | C1 | C2 | N | 179.5° | 179.4° |
| C1 | C | C8 | H5 | 179.7° | 180.0° |
| C8 | C7 | N1 | C9 | 23.2° | 24.9° |
| C8 | C7 | N1 | C3 | 179.4° | 180.0° |
| C8 | C7 | C3 | C2 | 0.4° | 0.0° |
| C8 | C7 | C3 | C4 | 179.1° | 180.0° |
| C8 | C7 | N1 | H6 | 156.8° | 155.1° |
| C7 | C8 | C | H | 179.6° | 180.0° |
| N2 | C14 | C10 | H10 | 180.0° | 179.9° |
| N2 | C14 | C10 | C9 | 178.6° | 179.9° |
| N2 | C14 | C10 | C11 | 0.5° | 0.0° |
| C14 | N2 | C13 | C12 | 0.2° | 0.0° |
| C14 | N2 | C13 | H9 | 179.8° | 180.0° |
| C10 | C14 | N2 | C13 | 0.2° | 0.1° |
| C14 | C10 | C9 | C11 | 179.0° | 180.0° |
| C14 | C10 | C9 | N1 | 157.4° | 0.1° |
| C14 | C10 | C11 | C12 | 0.3° | 0.0° |
| C14 | C10 | C11 | H7 | 179.7° | 180.0° |
| N2 | C13 | C12 | H9 | 180.0° | 180.0° |
| N2 | C13 | C12 | C11 | 0.3° | 0.0° |
| N2 | C13 | C12 | H8 | 179.7° | 180.0° |
| C13 | N2 | C14 | H10 | 179.7° | 180.0° |
| C10 | C9 | N1 | C7 | 179.8° | 174.4° |
| C9 | C10 | C11 | C12 | 178.7° | 179.9° |
| C10 | C9 | N1 | H6 | 0.2° | 5.6° |
| C9 | C10 | C11 | H7 | 1.3° | 0.0° |
| C9 | C10 | C14 | H10 | 1.4° | 0.0° |
| N1 | C9 | C10 | C11 | 23.5° | 180.0° |
| C9 | N1 | C7 | H6 | 180.0° | 180.0° |
| C9 | N1 | C7 | C3 | 157.4° | 155.1° |
| C1 | C2 | C3 | C7 | 0.4° | 0.0° |
| C1 | C2 | C3 | N | 179.4° | 179.4° |
| C1 | C2 | C3 | C4 | 179.2° | 180.0° |
| C1 | C2 | N | C6 | 179.3° | 179.7° |
| C2 | C1 | C | H | 179.7° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C10 | C11 | C12 | H7 | 180.0° | 180.0° |
| C10 | C11 | C12 | H8 | 180.0° | 180.0° |
| C11 | C10 | C14 | H10 | 179.5° | 180.0° |
| N1 | C7 | C3 | C2 | 179.1° | 180.0° |
| N1 | C7 | C3 | C4 | 1.4° | 0.0° |
| N1 | C7 | C8 | H5 | 0.6° | 0.0° |
| C7 | C3 | C2 | C4 | 179.5° | 180.0° |
| C7 | C3 | C2 | N | 179.8° | 179.4° |
| C7 | C3 | C4 | C5 | 179.7° | 180.0° |
| C7 | C3 | C4 | H2 | 0.4° | 0.3° |
| C3 | C7 | N1 | H6 | 22.6° | 24.9° |
| C3 | C7 | C8 | H5 | 180.0° | 180.0° |
| C13 | C12 | C11 | H8 | 180.0° | 180.0° |
| C13 | C12 | C11 | H7 | 180.0° | 180.0° |
| C3 | C2 | N | C6 | 0.2° | 0.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | H2 | 179.9° | 179.7° |
| C3 | C2 | C1 | H1 | 179.9° | 180.0° |
| N | C2 | C3 | C4 | 0.3° | 0.6° |
| C2 | N | C6 | C5 | 0.0° | 0.6° |
| C2 | N | C6 | H4 | 180.0° | 179.3° |
| N | C2 | C1 | H1 | 0.5° | 0.6° |
| C3 | C4 | C5 | H2 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.0° | 0.3° |
| C3 | C4 | C5 | H3 | 180.0° | 179.7° |
| C11 | C12 | C13 | H9 | 179.7° | 180.0° |
| N | C6 | C5 | C4 | 0.1° | 0.0° |
| N | C6 | C5 | H4 | 180.0° | 180.0° |
| N | C6 | C5 | H3 | 179.9° | 180.0° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | H4 | 179.9° | 180.0° |
| C6 | C5 | C4 | H2 | 179.9° | 180.0° |
| H2 | C4 | C5 | H3 | 0.0° | 0.0° |
| H3 | C5 | C6 | H4 | 0.1° | 0.1° |
| H5 | C8 | C | H | 0.4° | 0.0° |
| H7 | C11 | C12 | H8 | 0.0° | 0.1° |
| H8 | C12 | C13 | H9 | 0.3° | 0.0° |
| H | C | C1 | H1 | 0.3° | 0.0° |
