E6Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.48Å | 1.49Å | |
| C7 | C9 | doub | 1.36Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.47Å | 1.47Å | Aromatic |
| C11 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | N1 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | C10 | sing | 1.42Å | 1.41Å | Aromatic |
| C12 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C10 | sing | 1.37Å | 1.37Å | Aromatic |
| C10 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.41Å | 1.39Å | Aromatic |
| C14 | C16 | sing | 1.47Å | 1.48Å | |
| C13 | C15 | sing | 1.48Å | 1.47Å | |
| C16 | N2 | doub | 1.31Å | 1.45Å | |
| C15 | N2 | sing | 1.35Å | 1.36Å | |
| C15 | O1 | doub | 1.22Å | 1.23Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C3 | 119.8° | 120.3° |
| C5 | C6 | C4 | 120.2° | 120.1° |
| C6 | C5 | H2 | 120.1° | 119.8° |
| C5 | C6 | H3 | 119.9° | 120.0° |
| C5 | C3 | C1 | 120.4° | 120.1° |
| C3 | C5 | H2 | 120.1° | 119.9° |
| C5 | C3 | H9 | 119.8° | 120.0° |
| C6 | C4 | C2 | 120.4° | 119.9° |
| C6 | C4 | H1 | 119.8° | 120.0° |
| C4 | C6 | H3 | 119.9° | 120.0° |
| C3 | C1 | C2 | 120.5° | 119.9° |
| C3 | C1 | H8 | 119.8° | 120.1° |
| C1 | C3 | H9 | 119.8° | 119.9° |
| C4 | C2 | C1 | 118.6° | 119.7° |
| C4 | C2 | C7 | 120.9° | 120.2° |
| C2 | C4 | H1 | 119.8° | 120.1° |
| C1 | C2 | C7 | 120.5° | 120.1° |
| C2 | C1 | H8 | 119.8° | 120.0° |
| C2 | C7 | C9 | 125.8° | 126.6° |
| C2 | C7 | C8 | 128.0° | 126.7° |
| C9 | C7 | C8 | 106.2° | 106.7° |
| C7 | C9 | N1 | 110.2° | 109.9° |
| C7 | C9 | H5 | 124.9° | 125.1° |
| C7 | C8 | C11 | 134.2° | 133.8° |
| C7 | C8 | C10 | 106.0° | 105.8° |
| C8 | C11 | C12 | 119.9° | 120.2° |
| C11 | C8 | C10 | 119.9° | 120.3° |
| C8 | C11 | H6 | 120.0° | 119.8° |
| C11 | C12 | C14 | 120.6° | 120.1° |
| C12 | C11 | H6 | 120.1° | 119.9° |
| C11 | C12 | H7 | 119.7° | 119.9° |
| C9 | N1 | C10 | 108.8° | 110.2° |
| C9 | N1 | H4 | 125.6° | 124.9° |
| N1 | C9 | H5 | 124.9° | 125.0° |
| C8 | C10 | N1 | 108.8° | 107.2° |
| C8 | C10 | C13 | 119.7° | 119.1° |
| C12 | C14 | C13 | 120.6° | 120.3° |
| C12 | C14 | C16 | 130.2° | 134.1° |
| C14 | C12 | H7 | 119.7° | 120.0° |
| N1 | C10 | C13 | 131.4° | 133.7° |
| C10 | N1 | H4 | 125.6° | 124.9° |
| C10 | C13 | C14 | 119.2° | 120.0° |
| C10 | C13 | C15 | 131.5° | 134.8° |
| C13 | C14 | C16 | 109.1° | 105.6° |
| C14 | C13 | C15 | 109.2° | 105.2° |
| C14 | C16 | N2 | 102.0° | 109.5° |
| C14 | C16 | H10 | 129.0° | 125.3° |
| C13 | C15 | N2 | 105.2° | 108.0° |
| C13 | C15 | O1 | 128.9° | 126.1° |
| C16 | N2 | C15 | 114.5° | 111.7° |
| N2 | C16 | H10 | 129.0° | 125.3° |
| N2 | C15 | O1 | 126.0° | 126.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C3 | H2 | 180.0° | 179.9° |
| C5 | C6 | C4 | H3 | 180.0° | 180.0° |
| C6 | C5 | C3 | C1 | 0.2° | 0.2° |
| C5 | C6 | C4 | C2 | 0.7° | 0.0° |
| C5 | C6 | C4 | H1 | 179.3° | 179.7° |
| C6 | C5 | C3 | H9 | 179.8° | 180.0° |
| C3 | C5 | C6 | C4 | 0.8° | 0.1° |
| C5 | C3 | C1 | H9 | 180.0° | 179.8° |
| C5 | C3 | C1 | C2 | 1.2° | 0.5° |
| C3 | C5 | C6 | H3 | 179.2° | 179.9° |
| C5 | C3 | C1 | H8 | 178.8° | 180.0° |
| C6 | C4 | C2 | H1 | 180.0° | 179.7° |
| C6 | C4 | C2 | C1 | 0.3° | 0.3° |
| C6 | C4 | C2 | C7 | 177.8° | 179.8° |
| C4 | C6 | C5 | H2 | 179.2° | 180.0° |
| C3 | C1 | C2 | C4 | 1.2° | 0.6° |
| C3 | C1 | C2 | H8 | 180.0° | 179.5° |
| C3 | C1 | C2 | C7 | 176.8° | 179.5° |
| C1 | C3 | C5 | H2 | 179.8° | 179.7° |
| C4 | C2 | C1 | C7 | 178.1° | 179.9° |
| C4 | C2 | C7 | C9 | 145.8° | 50.1° |
| C4 | C2 | C7 | C8 | 37.1° | 129.6° |
| C2 | C4 | C6 | H3 | 179.3° | 180.0° |
| C4 | C2 | C1 | H8 | 178.8° | 179.9° |
| C1 | C2 | C7 | C9 | 32.3° | 130.0° |
| C1 | C2 | C7 | C8 | 144.9° | 50.3° |
| C1 | C2 | C4 | H1 | 179.7° | 180.0° |
| C2 | C1 | C3 | H9 | 178.8° | 179.7° |
| C2 | C7 | C9 | C8 | 177.7° | 179.7° |
| C2 | C7 | C8 | C11 | 3.3° | 0.3° |
| C2 | C7 | C9 | N1 | 177.0° | 180.0° |
| C2 | C7 | C8 | C10 | 176.6° | 179.9° |
| C7 | C2 | C4 | H1 | 2.2° | 0.1° |
| C2 | C7 | C9 | H5 | 3.0° | 0.0° |
| C7 | C2 | C1 | H8 | 3.1° | 0.0° |
| C9 | C7 | C8 | C11 | 179.1° | 180.0° |
| C7 | C9 | N1 | H5 | 180.0° | 180.0° |
| C9 | C7 | C8 | C10 | 1.0° | 0.4° |
| C7 | C9 | N1 | C10 | 0.0° | 0.1° |
| C7 | C9 | N1 | H4 | 180.0° | 179.8° |
| C7 | C8 | C11 | C10 | 179.9° | 179.6° |
| C7 | C8 | C11 | C12 | 179.2° | 179.4° |
| C8 | C7 | C9 | N1 | 0.7° | 0.3° |
| C7 | C8 | C10 | N1 | 1.0° | 0.4° |
| C7 | C8 | C10 | C13 | 179.2° | 179.6° |
| C8 | C7 | C9 | H5 | 179.3° | 179.8° |
| C7 | C8 | C11 | H6 | 0.9° | 0.0° |
| C8 | C11 | C12 | H6 | 180.0° | 179.5° |
| C8 | C11 | C12 | C14 | 0.1° | 0.1° |
| C11 | C8 | C10 | N1 | 179.1° | 180.0° |
| C11 | C8 | C10 | C13 | 0.8° | 0.1° |
| C8 | C11 | C12 | H7 | 179.9° | 180.0° |
| C12 | C11 | C8 | C10 | 0.8° | 0.2° |
| C11 | C12 | C14 | H7 | 180.0° | 179.9° |
| C11 | C12 | C14 | C13 | 0.5° | 0.1° |
| C11 | C12 | C14 | C16 | 179.6° | 179.9° |
| C9 | N1 | C10 | C8 | 0.6° | 0.2° |
| C9 | N1 | C10 | H4 | 180.0° | 179.8° |
| C9 | N1 | C10 | C13 | 179.6° | 179.7° |
| C8 | C10 | N1 | C13 | 179.8° | 179.9° |
| C8 | C10 | C13 | C14 | 0.2° | 0.0° |
| C8 | C10 | C13 | C15 | 179.1° | 180.0° |
| C8 | C10 | N1 | H4 | 179.4° | 180.0° |
| C10 | C8 | C11 | H6 | 179.2° | 179.6° |
| C12 | C14 | C13 | C10 | 0.5° | 0.0° |
| C12 | C14 | C13 | C16 | 179.9° | 180.0° |
| C12 | C14 | C13 | C15 | 178.7° | 180.0° |
| C12 | C14 | C16 | N2 | 179.1° | 180.0° |
| C14 | C12 | C11 | H6 | 179.9° | 179.6° |
| C12 | C14 | C16 | H10 | 0.9° | 0.0° |
| N1 | C10 | C13 | C14 | 179.6° | 179.9° |
| N1 | C10 | C13 | C15 | 0.8° | 0.1° |
| C10 | N1 | C9 | H5 | 179.9° | 180.0° |
| C10 | C13 | C14 | C15 | 179.1° | 180.0° |
| C10 | C13 | C14 | C16 | 179.6° | 180.0° |
| C10 | C13 | C15 | N2 | 179.8° | 180.0° |
| C10 | C13 | C15 | O1 | 0.2° | 0.0° |
| C13 | C10 | N1 | H4 | 0.5° | 0.1° |
| C13 | C14 | C16 | N2 | 0.8° | 0.0° |
| C14 | C13 | C15 | N2 | 1.2° | 0.0° |
| C14 | C13 | C15 | O1 | 178.8° | 180.0° |
| C13 | C14 | C12 | H7 | 179.5° | 180.0° |
| C13 | C14 | C16 | H10 | 179.2° | 180.0° |
| C16 | C14 | C13 | C15 | 1.3° | 0.0° |
| C14 | C16 | N2 | H10 | 180.0° | 180.0° |
| C14 | C16 | N2 | C15 | 0.0° | 0.0° |
| C16 | C14 | C12 | H7 | 0.4° | 0.0° |
| C13 | C15 | N2 | C16 | 0.7° | 0.0° |
| C13 | C15 | N2 | O1 | 180.0° | 180.0° |
| C16 | N2 | C15 | O1 | 179.3° | 180.0° |
| C15 | N2 | C16 | H10 | 180.0° | 180.0° |
| H1 | C4 | C6 | H3 | 0.7° | 0.3° |
| H2 | C5 | C6 | H3 | 0.8° | 0.0° |
| H2 | C5 | C3 | H9 | 0.2° | 0.1° |
| H4 | N1 | C9 | H5 | 0.0° | 0.2° |
| H6 | C11 | C12 | H7 | 0.1° | 0.5° |
| H8 | C1 | C3 | H9 | 1.2° | 0.2° |
