Q7T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| SE | C4 | sing | 1.96Å | 1.60Å | |
| N | C6 | sing | 1.35Å | 1.35Å | |
| N | C7 | sing | 1.47Å | 1.45Å | |
| O | C6 | doub | 1.21Å | 1.23Å | |
| C6 | C5 | sing | 1.48Å | 1.51Å | |
| C4 | C5 | doub | 1.40Å | 1.50Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| SE | H11 | sing | 1.56Å | 1.46Å | |
| C | H12 | sing | 1.08Å | 1.08Å | |
| N | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 121.2° | 120.0° |
| C12 | C11 | C10 | 119.8° | 120.1° |
| C11 | C12 | H3 | 119.4° | 120.0° |
| C12 | C11 | H4 | 120.1° | 120.0° |
| C12 | C13 | C8 | 118.8° | 120.0° |
| C12 | C13 | H2 | 120.6° | 120.0° |
| C13 | C12 | H3 | 119.4° | 120.0° |
| C11 | C10 | C9 | 118.9° | 119.9° |
| C10 | C11 | H4 | 120.1° | 119.9° |
| C11 | C10 | H5 | 120.6° | 120.1° |
| C13 | C8 | C9 | 120.0° | 120.0° |
| C13 | C8 | C7 | 122.9° | 120.0° |
| C8 | C13 | H2 | 120.6° | 120.0° |
| C10 | C9 | C8 | 121.2° | 120.0° |
| C9 | C10 | H5 | 120.6° | 120.0° |
| C10 | C9 | H8 | 119.4° | 120.0° |
| C9 | C8 | C7 | 117.1° | 120.0° |
| C8 | C9 | H8 | 119.4° | 120.0° |
| C8 | C7 | N | 116.4° | 109.4° |
| C8 | C7 | H6 | 107.7° | 109.5° |
| C8 | C7 | H7 | 107.7° | 109.5° |
| SE | C4 | C5 | 117.9° | 120.1° |
| SE | C4 | C3 | 124.4° | 120.1° |
| C4 | SE | H11 | 109.5° | 101.0° |
| C6 | N | C7 | 118.8° | 119.9° |
| N | C6 | O | 123.8° | 120.0° |
| N | C6 | C5 | 117.6° | 119.9° |
| C6 | N | H13 | 120.6° | 120.0° |
| N | C7 | H6 | 107.7° | 109.5° |
| N | C7 | H7 | 107.7° | 109.5° |
| C7 | N | H13 | 120.6° | 120.0° |
| O | C6 | C5 | 117.1° | 120.0° |
| C6 | C5 | C4 | 120.7° | 120.1° |
| C6 | C5 | C | 120.0° | 120.2° |
| C5 | C4 | C3 | 117.7° | 119.8° |
| C4 | C5 | C | 119.2° | 119.7° |
| C4 | C3 | C2 | 120.5° | 120.2° |
| C4 | C3 | H9 | 119.8° | 120.0° |
| C5 | C | C1 | 120.7° | 119.8° |
| C5 | C | H12 | 119.7° | 120.1° |
| C3 | C2 | C1 | 121.5° | 120.3° |
| C2 | C3 | H9 | 119.7° | 119.9° |
| C3 | C2 | H10 | 119.2° | 119.9° |
| C | C1 | C2 | 120.3° | 120.1° |
| C | C1 | H1 | 119.9° | 119.9° |
| C1 | C | H12 | 119.7° | 120.1° |
| C2 | C1 | H1 | 119.8° | 120.0° |
| C1 | C2 | H10 | 119.2° | 119.8° |
| H6 | C7 | H7 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H3 | 180.0° | 180.0° |
| C12 | C11 | C10 | H4 | 180.0° | 180.0° |
| C11 | C12 | C13 | C8 | 0.5° | 0.0° |
| C12 | C11 | C10 | C9 | 0.6° | 0.0° |
| C11 | C12 | C13 | H2 | 179.5° | 179.7° |
| C12 | C11 | C10 | H5 | 179.4° | 180.0° |
| C13 | C12 | C11 | C10 | 0.4° | 0.0° |
| C12 | C13 | C8 | H2 | 180.0° | 179.6° |
| C12 | C13 | C8 | C9 | 0.8° | 0.1° |
| C12 | C13 | C8 | C7 | 178.6° | 179.7° |
| C13 | C12 | C11 | H4 | 179.6° | 180.0° |
| C11 | C10 | C9 | H5 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.9° | 0.0° |
| C10 | C11 | C12 | H3 | 179.6° | 180.0° |
| C11 | C10 | C9 | H8 | 179.1° | 180.0° |
| C13 | C8 | C9 | C10 | 1.0° | 0.1° |
| C13 | C8 | C9 | C7 | 179.4° | 179.8° |
| C13 | C8 | C7 | N | 26.5° | 90.0° |
| C8 | C13 | C12 | H3 | 179.5° | 179.9° |
| C13 | C8 | C7 | H6 | 94.5° | 150.1° |
| C13 | C8 | C7 | H7 | 147.6° | 30.0° |
| C13 | C8 | C9 | H8 | 179.0° | 180.0° |
| C10 | C9 | C8 | H8 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 178.4° | 179.7° |
| C9 | C10 | C11 | H4 | 179.4° | 180.0° |
| C9 | C8 | C7 | N | 152.8° | 90.2° |
| C9 | C8 | C13 | H2 | 179.2° | 179.7° |
| C8 | C9 | C10 | H5 | 179.1° | 180.0° |
| C9 | C8 | C7 | H6 | 86.1° | 29.7° |
| C9 | C8 | C7 | H7 | 31.8° | 149.8° |
| C8 | C7 | N | C6 | 115.0° | 180.0° |
| C8 | C7 | N | H6 | 121.0° | 120.0° |
| C8 | C7 | N | H7 | 121.0° | 120.0° |
| C7 | C8 | C13 | H2 | 1.4° | 0.1° |
| C8 | C7 | H6 | H7 | 116.8° | 120.0° |
| C7 | C8 | C9 | H8 | 1.6° | 0.2° |
| C8 | C7 | N | H13 | 65.0° | 0.0° |
| SE | C4 | C5 | C6 | 2.0° | 0.0° |
| SE | C4 | C5 | C3 | 179.1° | 179.7° |
| SE | C4 | C5 | C | 179.8° | 180.0° |
| SE | C4 | C3 | C2 | 179.6° | 180.0° |
| SE | C4 | C3 | H9 | 0.4° | 0.2° |
| C6 | N | C7 | H13 | 180.0° | 180.0° |
| N | C6 | O | C5 | 165.6° | 179.9° |
| N | C6 | C5 | C4 | 38.8° | 179.9° |
| N | C6 | C5 | C | 138.9° | 0.1° |
| C6 | N | C7 | H6 | 124.0° | 60.0° |
| C6 | N | C7 | H7 | 6.0° | 60.0° |
| C7 | N | C6 | O | 43.5° | 0.0° |
| C7 | N | C6 | C5 | 122.0° | 180.0° |
| N | C7 | H6 | H7 | 116.8° | 120.0° |
| O | C6 | C5 | C4 | 154.7° | 0.0° |
| O | C6 | C5 | C | 27.6° | 180.0° |
| O | C6 | N | H13 | 136.5° | 180.0° |
| C6 | C5 | C4 | C | 177.8° | 180.0° |
| C6 | C5 | C4 | C3 | 177.1° | 179.7° |
| C6 | C5 | C | C1 | 178.2° | 180.0° |
| C6 | C5 | C | H12 | 1.8° | 0.0° |
| C5 | C6 | N | H13 | 58.0° | 0.1° |
| C5 | C4 | C3 | C2 | 1.3° | 0.2° |
| C4 | C5 | C | C1 | 0.4° | 0.1° |
| C5 | C4 | C3 | H9 | 178.7° | 180.0° |
| C5 | C4 | SE | H11 | 180.0° | 90.0° |
| C4 | C5 | C | H12 | 179.6° | 180.0° |
| C3 | C4 | C5 | C | 0.7° | 0.2° |
| C4 | C3 | C2 | H9 | 180.0° | 179.8° |
| C4 | C3 | C2 | C1 | 0.9° | 0.0° |
| C4 | C3 | C2 | H10 | 179.1° | 180.0° |
| C3 | C4 | SE | H11 | 1.0° | 90.3° |
| C5 | C | C1 | H12 | 180.0° | 180.0° |
| C5 | C | C1 | C2 | 0.9° | 0.3° |
| C5 | C | C1 | H1 | 179.1° | 180.0° |
| C3 | C2 | C1 | C | 0.2° | 0.3° |
| C3 | C2 | C1 | H10 | 180.0° | 179.9° |
| C3 | C2 | C1 | H1 | 179.8° | 180.0° |
| C | C1 | C2 | H1 | 180.0° | 179.7° |
| C | C1 | C2 | H10 | 179.8° | 179.8° |
| C1 | C2 | C3 | H9 | 179.1° | 179.8° |
| C2 | C1 | C | H12 | 179.1° | 179.7° |
| H1 | C1 | C2 | H10 | 0.2° | 0.1° |
| H1 | C1 | C | H12 | 0.9° | 0.0° |
| H2 | C13 | C12 | H3 | 0.5° | 0.3° |
| H3 | C12 | C11 | H4 | 0.4° | 0.1° |
| H4 | C11 | C10 | H5 | 0.6° | 0.0° |
| H5 | C10 | C9 | H8 | 0.9° | 0.0° |
| H6 | C7 | N | H13 | 56.0° | 119.9° |
| H7 | C7 | N | H13 | 174.0° | 120.0° |
| H9 | C3 | C2 | H10 | 0.9° | 0.2° |
