Q7W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C11 | sing | 1.74Å | 1.78Å | |
| C12 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| SE | C4 | sing | 1.96Å | 1.65Å | |
| C9 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| O | C6 | doub | 1.22Å | 1.24Å | |
| C7 | N | sing | 1.46Å | 1.45Å | |
| C6 | N | sing | 1.35Å | 1.34Å | |
| C6 | C5 | sing | 1.48Å | 1.49Å | |
| C4 | C5 | doub | 1.40Å | 1.47Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| C | H10 | sing | 1.08Å | 1.08Å | |
| SE | H11 | sing | 1.56Å | 1.46Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C11 | C12 | 119.6° | 120.0° |
| CL | C11 | C10 | 118.0° | 120.0° |
| C11 | C12 | C13 | 119.6° | 120.0° |
| C12 | C11 | C10 | 122.4° | 120.0° |
| C11 | C12 | H4 | 120.2° | 120.0° |
| C12 | C13 | C9 | 118.7° | 120.0° |
| C13 | C12 | H4 | 120.2° | 120.0° |
| C12 | C13 | H5 | 120.6° | 120.0° |
| C11 | C10 | C8 | 117.9° | 120.0° |
| C11 | C10 | H6 | 121.0° | 120.0° |
| C13 | C9 | C8 | 120.9° | 120.0° |
| C13 | C9 | H3 | 119.5° | 120.0° |
| C9 | C13 | H5 | 120.6° | 120.0° |
| C10 | C8 | C9 | 120.4° | 120.0° |
| C10 | C8 | C7 | 121.0° | 120.0° |
| C8 | C10 | H6 | 121.1° | 120.0° |
| SE | C4 | C5 | 119.7° | 120.1° |
| SE | C4 | C3 | 125.2° | 120.1° |
| C4 | SE | H11 | 109.5° | 101.0° |
| C9 | C8 | C7 | 118.6° | 120.0° |
| C8 | C9 | H3 | 119.5° | 120.0° |
| C8 | C7 | N | 111.1° | 109.5° |
| C8 | C7 | H7 | 109.1° | 109.5° |
| C8 | C7 | H8 | 109.0° | 109.5° |
| O | C6 | N | 125.4° | 120.0° |
| O | C6 | C5 | 116.2° | 120.0° |
| C7 | N | C6 | 121.3° | 120.0° |
| N | C7 | H7 | 109.0° | 109.5° |
| N | C7 | H8 | 109.0° | 109.5° |
| C7 | N | H9 | 119.4° | 120.0° |
| N | C6 | C5 | 118.2° | 120.0° |
| C6 | N | H9 | 119.4° | 120.0° |
| C6 | C5 | C4 | 118.5° | 120.1° |
| C6 | C5 | C | 120.0° | 120.1° |
| C5 | C4 | C3 | 115.1° | 119.9° |
| C4 | C5 | C | 121.5° | 119.7° |
| C4 | C3 | C2 | 122.3° | 120.1° |
| C4 | C3 | H2 | 118.8° | 120.0° |
| C5 | C | C1 | 119.9° | 119.8° |
| C5 | C | H10 | 120.1° | 120.1° |
| C3 | C2 | C1 | 121.0° | 120.3° |
| C2 | C3 | H2 | 118.9° | 119.9° |
| C3 | C2 | H12 | 119.5° | 119.8° |
| C | C1 | C2 | 120.1° | 120.1° |
| C | C1 | H1 | 119.9° | 119.9° |
| C1 | C | H10 | 120.0° | 120.1° |
| C2 | C1 | H1 | 119.9° | 120.0° |
| C1 | C2 | H12 | 119.5° | 119.9° |
| H7 | C7 | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C11 | C12 | C10 | 179.0° | 180.0° |
| CL | C11 | C12 | C13 | 179.7° | 179.7° |
| CL | C11 | C10 | C8 | 179.3° | 180.0° |
| CL | C11 | C12 | H4 | 0.3° | 0.0° |
| CL | C11 | C10 | H6 | 0.7° | 0.0° |
| C11 | C12 | C13 | H4 | 180.0° | 179.7° |
| C11 | C12 | C13 | C9 | 0.7° | 0.3° |
| C12 | C11 | C10 | C8 | 0.3° | 0.0° |
| C11 | C12 | C13 | H5 | 179.3° | 179.7° |
| C12 | C11 | C10 | H6 | 179.7° | 179.9° |
| C13 | C12 | C11 | C10 | 1.4° | 0.3° |
| C12 | C13 | C9 | H5 | 180.0° | 180.0° |
| C12 | C13 | C9 | C8 | 0.9° | 0.0° |
| C12 | C13 | C9 | H3 | 179.1° | 180.0° |
| C11 | C10 | C8 | H6 | 180.0° | 179.9° |
| C11 | C10 | C8 | C9 | 1.3° | 0.3° |
| C11 | C10 | C8 | C7 | 179.5° | 180.0° |
| C10 | C11 | C12 | H4 | 178.7° | 180.0° |
| C13 | C9 | C8 | C10 | 1.9° | 0.3° |
| C13 | C9 | C8 | H3 | 180.0° | 180.0° |
| C13 | C9 | C8 | C7 | 179.8° | 180.0° |
| C9 | C13 | C12 | H4 | 179.3° | 180.0° |
| C10 | C8 | C9 | C7 | 178.2° | 179.8° |
| C10 | C8 | C7 | N | 28.4° | 90.3° |
| C10 | C8 | C9 | H3 | 178.1° | 179.7° |
| C10 | C8 | C7 | H7 | 148.6° | 29.8° |
| C10 | C8 | C7 | H8 | 91.9° | 149.7° |
| SE | C4 | C5 | C6 | 2.5° | 0.3° |
| SE | C4 | C5 | C3 | 180.0° | 179.7° |
| SE | C4 | C5 | C | 179.9° | 180.0° |
| SE | C4 | C3 | C2 | 178.9° | 180.0° |
| SE | C4 | C3 | H2 | 1.1° | 0.0° |
| C9 | C8 | C7 | N | 153.4° | 90.0° |
| C8 | C9 | C13 | H5 | 179.1° | 180.0° |
| C9 | C8 | C10 | H6 | 178.7° | 179.7° |
| C9 | C8 | C7 | H7 | 33.1° | 150.0° |
| C9 | C8 | C7 | H8 | 86.4° | 30.0° |
| C8 | C7 | N | H7 | 120.3° | 120.0° |
| C8 | C7 | N | H8 | 120.2° | 120.0° |
| C8 | C7 | N | C6 | 97.0° | 179.9° |
| C7 | C8 | C9 | H3 | 0.2° | 0.0° |
| C7 | C8 | C10 | H6 | 0.5° | 0.1° |
| C8 | C7 | H7 | H8 | 119.2° | 119.9° |
| C8 | C7 | N | H9 | 83.0° | 0.1° |
| O | C6 | N | C7 | 5.0° | 0.1° |
| O | C6 | N | C5 | 175.4° | 179.9° |
| O | C6 | C5 | C4 | 34.9° | 0.1° |
| O | C6 | C5 | C | 142.6° | 179.7° |
| O | C6 | N | H9 | 175.0° | 180.0° |
| C7 | N | C6 | H9 | 180.0° | 179.9° |
| C7 | N | C6 | C5 | 170.3° | 180.0° |
| N | C7 | H7 | H8 | 119.2° | 120.0° |
| N | C6 | C5 | C4 | 149.3° | 180.0° |
| N | C6 | C5 | C | 33.2° | 0.4° |
| C6 | N | C7 | H7 | 142.7° | 59.9° |
| C6 | N | C7 | H8 | 23.2° | 60.1° |
| C6 | C5 | C4 | C | 177.4° | 179.6° |
| C6 | C5 | C4 | C3 | 177.5° | 180.0° |
| C6 | C5 | C | C1 | 178.0° | 179.7° |
| C5 | C6 | N | H9 | 9.7° | 0.1° |
| C6 | C5 | C | H10 | 2.0° | 0.3° |
| C5 | C4 | C3 | C2 | 1.0° | 0.3° |
| C4 | C5 | C | C1 | 0.6° | 0.1° |
| C5 | C4 | C3 | H2 | 179.0° | 179.7° |
| C4 | C5 | C | H10 | 179.3° | 180.0° |
| C5 | C4 | SE | H11 | 180.0° | 90.0° |
| C3 | C4 | C5 | C | 0.1° | 0.3° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 1.6° | 0.0° |
| C3 | C4 | SE | H11 | 0.1° | 89.7° |
| C4 | C3 | C2 | H12 | 178.4° | 180.0° |
| C5 | C | C1 | H10 | 180.0° | 179.9° |
| C5 | C | C1 | C2 | 0.1° | 0.2° |
| C5 | C | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 1.1° | 0.2° |
| C3 | C2 | C1 | H12 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 178.9° | 179.9° |
| C | C1 | C2 | H1 | 180.0° | 179.8° |
| C | C1 | C2 | H12 | 178.9° | 179.8° |
| C1 | C2 | C3 | H2 | 178.4° | 180.0° |
| C2 | C1 | C | H10 | 179.9° | 179.8° |
| H1 | C1 | C | H10 | 0.1° | 0.1° |
| H1 | C1 | C2 | H12 | 1.1° | 0.0° |
| H2 | C3 | C2 | H12 | 1.6° | 0.1° |
| H3 | C9 | C13 | H5 | 0.9° | 0.0° |
| H4 | C12 | C13 | H5 | 0.7° | 0.0° |
| H7 | C7 | N | H9 | 37.3° | 120.0° |
| H8 | C7 | N | H9 | 156.8° | 120.0° |
