2QV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.49Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.56Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C9 | C10 | doub | 1.36Å | 1.42Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.51Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C8 | sing | 1.48Å | 1.45Å | |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | CL7 | sing | 1.74Å | 1.67Å | |
| C11 | N17 | doub | 1.34Å | 1.36Å | Aromatic |
| C11 | C12 | sing | 1.42Å | 1.57Å | Aromatic |
| N17 | C16 | sing | 1.31Å | 1.34Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.37Å | Aromatic |
| C12 | C14 | doub | 1.42Å | 1.41Å | Aromatic |
| C16 | N15 | doub | 1.32Å | 1.29Å | Aromatic |
| C14 | N15 | sing | 1.33Å | 1.37Å | Aromatic |
| C14 | N18 | sing | 1.38Å | 1.27Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| N18 | H9 | sing | 0.97Å | 1.00Å | |
| N18 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 113.4° | 120.1° |
| C1 | C2 | C3 | 121.3° | 119.9° |
| C2 | C1 | H1 | 123.3° | 120.0° |
| C1 | C2 | H2 | 119.4° | 120.0° |
| C1 | C6 | C5 | 123.3° | 120.2° |
| C6 | C1 | H1 | 123.3° | 119.9° |
| C1 | C6 | H4 | 118.3° | 119.8° |
| C2 | C3 | C8 | 119.5° | 120.1° |
| C2 | C3 | C4 | 120.8° | 119.7° |
| C3 | C2 | H2 | 119.3° | 120.1° |
| C6 | C5 | C4 | 123.2° | 120.1° |
| C6 | C5 | CL7 | 119.3° | 120.0° |
| C5 | C6 | H4 | 118.3° | 119.9° |
| C10 | C9 | C8 | 121.2° | 120.9° |
| C9 | C10 | C11 | 117.8° | 119.9° |
| C10 | C9 | H5 | 119.4° | 119.5° |
| C9 | C10 | H6 | 121.1° | 120.1° |
| C9 | C8 | C3 | 115.8° | 119.8° |
| C9 | C8 | C13 | 122.1° | 120.5° |
| C8 | C9 | H5 | 119.4° | 119.6° |
| C10 | C11 | N17 | 121.1° | 121.8° |
| C10 | C11 | C12 | 118.7° | 119.6° |
| C11 | C10 | H6 | 121.1° | 120.1° |
| C8 | C3 | C4 | 119.6° | 120.1° |
| C3 | C8 | C13 | 122.0° | 119.8° |
| C3 | C4 | C5 | 117.9° | 119.9° |
| C3 | C4 | H3 | 121.1° | 120.0° |
| C8 | C13 | C12 | 117.9° | 119.3° |
| C8 | C13 | H7 | 121.1° | 120.3° |
| C4 | C5 | CL7 | 117.4° | 120.0° |
| C5 | C4 | H3 | 121.0° | 120.0° |
| N17 | C11 | C12 | 120.2° | 118.6° |
| C11 | N17 | C16 | 121.9° | 120.5° |
| C11 | C12 | C13 | 122.2° | 119.8° |
| C11 | C12 | C14 | 111.8° | 118.2° |
| N17 | C16 | N15 | 119.0° | 123.0° |
| N17 | C16 | H8 | 120.5° | 118.5° |
| C13 | C12 | C14 | 126.0° | 121.9° |
| C12 | C13 | H7 | 121.1° | 120.4° |
| C12 | C14 | N15 | 119.5° | 118.1° |
| C12 | C14 | N18 | 121.4° | 121.0° |
| C16 | N15 | C14 | 127.6° | 121.4° |
| N15 | C16 | H8 | 120.5° | 118.5° |
| N15 | C14 | N18 | 119.1° | 120.9° |
| C14 | N18 | H9 | 109.5° | 120.0° |
| C14 | N18 | H10 | 109.5° | 120.0° |
| H9 | N18 | H10 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C1 | C2 | C3 | C8 | 178.2° | 179.9° |
| C1 | C2 | C3 | C4 | 1.6° | 0.1° |
| C2 | C1 | C6 | H4 | 179.8° | 179.9° |
| C6 | C1 | C2 | C3 | 1.3° | 0.0° |
| C1 | C6 | C5 | H4 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.8° | 0.0° |
| C1 | C6 | C5 | CL7 | 178.7° | 180.0° |
| C6 | C1 | C2 | H2 | 178.7° | 179.9° |
| C2 | C3 | C8 | C9 | 26.6° | 0.2° |
| C2 | C3 | C8 | C4 | 179.8° | 180.0° |
| C2 | C3 | C8 | C13 | 154.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.1° |
| C3 | C2 | C1 | H1 | 178.7° | 179.7° |
| C2 | C3 | C4 | H3 | 179.4° | 180.0° |
| C6 | C5 | C4 | C3 | 0.5° | 0.0° |
| C6 | C5 | C4 | CL7 | 179.5° | 180.0° |
| C5 | C6 | C1 | H1 | 179.8° | 179.7° |
| C6 | C5 | C4 | H3 | 179.5° | 179.9° |
| C10 | C9 | C8 | H5 | 180.0° | 180.0° |
| C9 | C10 | C11 | H6 | 180.0° | 179.9° |
| C10 | C9 | C8 | C3 | 179.4° | 180.0° |
| C10 | C9 | C8 | C13 | 0.1° | 0.3° |
| C9 | C10 | C11 | N17 | 179.6° | 180.0° |
| C9 | C10 | C11 | C12 | 0.5° | 0.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.0° |
| C9 | C8 | C3 | C13 | 179.4° | 179.7° |
| C9 | C8 | C3 | C4 | 153.3° | 179.7° |
| C9 | C8 | C13 | C12 | 0.0° | 0.5° |
| C8 | C9 | C10 | H6 | 179.8° | 179.9° |
| C9 | C8 | C13 | H7 | 180.0° | 179.7° |
| C10 | C11 | N17 | C12 | 179.1° | 180.0° |
| C10 | C11 | N17 | C16 | 179.7° | 180.0° |
| C10 | C11 | C12 | C13 | 0.6° | 0.2° |
| C10 | C11 | C12 | C14 | 178.7° | 180.0° |
| C11 | C10 | C9 | H5 | 179.8° | 180.0° |
| C8 | C3 | C4 | C5 | 179.2° | 179.9° |
| C3 | C8 | C13 | C12 | 179.4° | 179.8° |
| C8 | C3 | C2 | H2 | 1.8° | 0.1° |
| C8 | C3 | C4 | H3 | 0.8° | 0.1° |
| C3 | C8 | C9 | H5 | 0.6° | 0.0° |
| C3 | C8 | C13 | H7 | 0.6° | 0.0° |
| C4 | C3 | C8 | C13 | 26.2° | 0.0° |
| C3 | C4 | C5 | H3 | 180.0° | 179.9° |
| C3 | C4 | C5 | CL7 | 179.0° | 180.0° |
| C4 | C3 | C2 | H2 | 178.4° | 180.0° |
| C8 | C13 | C12 | C11 | 0.3° | 0.5° |
| C8 | C13 | C12 | H7 | 180.0° | 179.8° |
| C8 | C13 | C12 | C14 | 178.8° | 179.7° |
| C13 | C8 | C9 | H5 | 179.9° | 179.7° |
| C4 | C5 | C6 | H4 | 179.2° | 179.9° |
| CL7 | C5 | C4 | H3 | 1.0° | 0.1° |
| CL7 | C5 | C6 | H4 | 1.3° | 0.1° |
| N17 | C11 | C12 | C13 | 179.7° | 179.8° |
| N17 | C11 | C12 | C14 | 0.5° | 0.1° |
| C11 | N17 | C16 | N15 | 2.4° | 0.0° |
| N17 | C11 | C10 | H6 | 0.4° | 0.0° |
| C11 | N17 | C16 | H8 | 177.6° | 180.0° |
| C12 | C11 | N17 | C16 | 1.1° | 0.0° |
| C11 | C12 | C13 | C14 | 179.1° | 179.9° |
| C11 | C12 | C14 | N15 | 0.8° | 0.1° |
| C11 | C12 | C14 | N18 | 179.9° | 180.0° |
| C12 | C11 | C10 | H6 | 179.5° | 180.0° |
| C11 | C12 | C13 | H7 | 179.7° | 179.7° |
| N17 | C16 | N15 | H8 | 180.0° | 180.0° |
| N17 | C16 | N15 | C14 | 2.1° | 0.0° |
| C13 | C12 | C14 | N15 | 179.9° | 179.8° |
| C13 | C12 | C14 | N18 | 0.7° | 0.1° |
| C12 | C14 | N15 | C16 | 0.4° | 0.1° |
| C12 | C14 | N15 | N18 | 179.3° | 179.9° |
| C14 | C12 | C13 | H7 | 1.2° | 0.1° |
| C12 | C14 | N18 | H9 | 179.3° | 0.0° |
| C12 | C14 | N18 | H10 | 59.2° | 179.9° |
| C16 | N15 | C14 | N18 | 178.9° | 180.0° |
| C14 | N15 | C16 | H8 | 177.9° | 180.0° |
| N15 | C14 | N18 | H9 | 0.0° | 179.9° |
| N15 | C14 | N18 | H10 | 120.0° | 0.0° |
| C14 | N18 | H9 | H10 | 120.0° | 179.9° |
| H1 | C1 | C2 | H2 | 1.3° | 0.4° |
| H1 | C1 | C6 | H4 | 0.2° | 0.2° |
| H5 | C9 | C10 | H6 | 0.2° | 0.1° |
