E6T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C9 | doub | 1.21Å | 1.23Å | |
| N1 | C9 | sing | 1.35Å | 1.35Å | |
| N1 | C | doub | 1.31Å | 1.45Å | |
| C9 | C8 | sing | 1.48Å | 1.48Å | |
| C | C1 | sing | 1.47Å | 1.50Å | |
| C8 | C1 | doub | 1.41Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| N | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| N | C6 | sing | 1.36Å | 1.37Å | Aromatic |
| C7 | C4 | doub | 1.42Å | 1.41Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.36Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.47Å | 1.46Å | Aromatic |
| C5 | C10 | sing | 1.48Å | 1.49Å | |
| C10 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | O1 | sing | 1.36Å | 1.37Å | |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å | |
| N | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C9 | N1 | 125.4° | 126.0° |
| O | C9 | C8 | 128.4° | 126.0° |
| C9 | N1 | C | 113.7° | 111.8° |
| N1 | C9 | C8 | 106.1° | 107.9° |
| N1 | C | C1 | 102.1° | 109.4° |
| N1 | C | H7 | 129.0° | 125.2° |
| C9 | C8 | C1 | 108.7° | 105.2° |
| C9 | C8 | C7 | 130.4° | 134.8° |
| C | C1 | C8 | 109.0° | 105.6° |
| C | C1 | C2 | 130.7° | 134.1° |
| C1 | C | H7 | 128.9° | 125.3° |
| C1 | C8 | C7 | 120.6° | 120.0° |
| C8 | C1 | C2 | 120.2° | 120.3° |
| C8 | C7 | N | 131.8° | 133.7° |
| C8 | C7 | C4 | 119.5° | 119.1° |
| C1 | C2 | C3 | 120.1° | 120.1° |
| C1 | C2 | H9 | 120.0° | 120.0° |
| C7 | N | C6 | 108.8° | 110.3° |
| N | C7 | C4 | 108.6° | 107.2° |
| C7 | N | H1 | 125.6° | 124.8° |
| N | C6 | C5 | 110.4° | 109.9° |
| N | C6 | H2 | 124.8° | 125.0° |
| C6 | N | H1 | 125.6° | 124.9° |
| C7 | C4 | C3 | 119.5° | 120.3° |
| C7 | C4 | C5 | 106.3° | 105.9° |
| C2 | C3 | C4 | 120.1° | 120.2° |
| C2 | C3 | H8 | 120.0° | 119.9° |
| C3 | C2 | H9 | 119.9° | 119.9° |
| C6 | C5 | C4 | 105.9° | 106.7° |
| C6 | C5 | C10 | 122.8° | 126.7° |
| C5 | C6 | H2 | 124.8° | 125.0° |
| C3 | C4 | C5 | 134.1° | 133.8° |
| C4 | C3 | H8 | 120.0° | 119.9° |
| C4 | C5 | C10 | 131.3° | 126.6° |
| C5 | C10 | C15 | 120.2° | 120.1° |
| C5 | C10 | C11 | 120.3° | 120.1° |
| C15 | C10 | C11 | 119.5° | 119.8° |
| C10 | C15 | C14 | 119.9° | 119.8° |
| C10 | C15 | H6 | 120.1° | 120.1° |
| C10 | C11 | C12 | 120.4° | 120.0° |
| C10 | C11 | H3 | 119.8° | 120.0° |
| C15 | C14 | O1 | 119.5° | 120.0° |
| C15 | C14 | C13 | 120.4° | 120.0° |
| C14 | C15 | H6 | 120.1° | 120.1° |
| C11 | C12 | C13 | 120.4° | 120.2° |
| C12 | C11 | H3 | 119.8° | 120.0° |
| C11 | C12 | H4 | 119.8° | 120.0° |
| O1 | C14 | C13 | 120.1° | 120.1° |
| C14 | O1 | H10 | 109.5° | 114.0° |
| C14 | C13 | C12 | 119.5° | 120.3° |
| C14 | C13 | H5 | 120.2° | 119.9° |
| C13 | C12 | H4 | 119.8° | 119.9° |
| C12 | C13 | H5 | 120.3° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C9 | N1 | C8 | 176.3° | 180.0° |
| O | C9 | N1 | C | 177.9° | 179.9° |
| O | C9 | C8 | C1 | 179.4° | 180.0° |
| O | C9 | C8 | C7 | 6.0° | 0.1° |
| C9 | N1 | C | C1 | 1.5° | 0.0° |
| N1 | C9 | C8 | C1 | 4.5° | 0.0° |
| N1 | C9 | C8 | C7 | 177.9° | 180.0° |
| C9 | N1 | C | H7 | 178.5° | 180.0° |
| C | N1 | C9 | C8 | 1.7° | 0.0° |
| N1 | C | C1 | H7 | 180.0° | 180.0° |
| N1 | C | C1 | C8 | 4.3° | 0.0° |
| N1 | C | C1 | C2 | 176.7° | 180.0° |
| C9 | C8 | C1 | C | 5.5° | 0.0° |
| C9 | C8 | C1 | C7 | 174.1° | 180.0° |
| C9 | C8 | C1 | C2 | 175.4° | 180.0° |
| C9 | C8 | C7 | N | 3.3° | 0.3° |
| C9 | C8 | C7 | C4 | 172.9° | 180.0° |
| C | C1 | C8 | C2 | 179.1° | 180.0° |
| C | C1 | C8 | C7 | 179.7° | 180.0° |
| C | C1 | C2 | C3 | 179.8° | 179.9° |
| C | C1 | C2 | H9 | 0.2° | 0.1° |
| C1 | C8 | C7 | N | 176.1° | 179.7° |
| C1 | C8 | C7 | C4 | 0.2° | 0.0° |
| C8 | C1 | C2 | C3 | 1.3° | 0.1° |
| C8 | C1 | C | H7 | 175.6° | 180.0° |
| C8 | C1 | C2 | H9 | 178.7° | 180.0° |
| C7 | C8 | C1 | C2 | 1.2° | 0.0° |
| C8 | C7 | N | C4 | 176.5° | 179.7° |
| C8 | C7 | N | C6 | 175.6° | 179.9° |
| C8 | C7 | C4 | C3 | 0.8° | 0.1° |
| C8 | C7 | C4 | C5 | 176.5° | 179.9° |
| C8 | C7 | N | H1 | 4.4° | 0.2° |
| C1 | C2 | C3 | H9 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.3° | 0.2° |
| C2 | C1 | C | H7 | 3.3° | 0.0° |
| C1 | C2 | C3 | H8 | 179.6° | 179.8° |
| C7 | N | C6 | H1 | 180.0° | 179.7° |
| C7 | N | C6 | C5 | 1.0° | 0.2° |
| N | C7 | C4 | C3 | 177.8° | 179.9° |
| N | C7 | C4 | C5 | 0.5° | 0.4° |
| C7 | N | C6 | H2 | 178.9° | 179.7° |
| C6 | N | C7 | C4 | 1.0° | 0.4° |
| N | C6 | C5 | H2 | 180.0° | 179.9° |
| N | C6 | C5 | C4 | 0.7° | 0.0° |
| N | C6 | C5 | C10 | 177.9° | 179.9° |
| C7 | C4 | C3 | C2 | 0.7° | 0.2° |
| C7 | C4 | C5 | C6 | 0.1° | 0.2° |
| C7 | C4 | C3 | C5 | 176.4° | 179.7° |
| C7 | C4 | C5 | C10 | 178.3° | 179.7° |
| C7 | C4 | C3 | H8 | 179.3° | 179.8° |
| C4 | C7 | N | H1 | 179.1° | 179.9° |
| C2 | C3 | C4 | H8 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 175.7° | 179.9° |
| C6 | C5 | C4 | C3 | 176.6° | 180.0° |
| C6 | C5 | C4 | C10 | 178.4° | 180.0° |
| C6 | C5 | C10 | C15 | 32.4° | 50.0° |
| C6 | C5 | C10 | C11 | 146.8° | 130.2° |
| C5 | C6 | N | H1 | 179.0° | 179.9° |
| C3 | C4 | C5 | C10 | 5.0° | 0.0° |
| C4 | C3 | C2 | H9 | 179.7° | 180.0° |
| C4 | C5 | C10 | C15 | 149.5° | 130.0° |
| C4 | C5 | C10 | C11 | 31.4° | 49.7° |
| C4 | C5 | C6 | H2 | 179.3° | 179.9° |
| C5 | C4 | C3 | H8 | 4.3° | 0.1° |
| C5 | C10 | C15 | C11 | 179.2° | 179.7° |
| C5 | C10 | C15 | C14 | 179.3° | 179.7° |
| C5 | C10 | C11 | C12 | 179.9° | 180.0° |
| C10 | C5 | C6 | H2 | 2.1° | 0.0° |
| C5 | C10 | C11 | H3 | 0.1° | 0.0° |
| C5 | C10 | C15 | H6 | 0.7° | 0.0° |
| C10 | C15 | C14 | H6 | 180.0° | 179.7° |
| C15 | C10 | C11 | C12 | 0.7° | 0.2° |
| C10 | C15 | C14 | O1 | 178.8° | 179.7° |
| C10 | C15 | C14 | C13 | 0.8° | 0.6° |
| C15 | C10 | C11 | H3 | 179.3° | 179.7° |
| C11 | C10 | C15 | C14 | 0.1° | 0.6° |
| C10 | C11 | C12 | H3 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.5° | 0.0° |
| C10 | C11 | C12 | H4 | 179.6° | 180.0° |
| C11 | C10 | C15 | H6 | 179.9° | 179.7° |
| C15 | C14 | O1 | C13 | 179.6° | 179.8° |
| C15 | C14 | C13 | C12 | 1.0° | 0.3° |
| C15 | C14 | C13 | H5 | 179.0° | 179.7° |
| C15 | C14 | O1 | H10 | 180.0° | 89.8° |
| C11 | C12 | C13 | C14 | 0.4° | 0.0° |
| C11 | C12 | C13 | H4 | 180.0° | 180.0° |
| C11 | C12 | C13 | H5 | 179.6° | 180.0° |
| O1 | C14 | C13 | C12 | 178.6° | 179.9° |
| O1 | C14 | C13 | H5 | 1.4° | 0.0° |
| O1 | C14 | C15 | H6 | 1.2° | 0.0° |
| C14 | C13 | C12 | H5 | 180.0° | 180.0° |
| C14 | C13 | C12 | H4 | 179.6° | 180.0° |
| C13 | C14 | C15 | H6 | 179.2° | 179.7° |
| C13 | C14 | O1 | H10 | 0.4° | 90.0° |
| C13 | C12 | C11 | H3 | 179.5° | 180.0° |
| H2 | C6 | N | H1 | 1.0° | 0.0° |
| H3 | C11 | C12 | H4 | 0.4° | 0.0° |
| H4 | C12 | C13 | H5 | 0.4° | 0.0° |
| H8 | C3 | C2 | H9 | 0.4° | 0.1° |
