QVK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C08 | doub | 1.38Å | 1.37Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.42Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| CL1 | C09 | sing | 1.74Å | 1.74Å | |
| C06 | N05 | sing | 1.37Å | 1.36Å | Aromatic |
| C06 | C12 | doub | 1.41Å | 1.41Å | Aromatic |
| C09 | C11 | doub | 1.37Å | 1.39Å | Aromatic |
| N05 | C04 | sing | 1.38Å | 1.36Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.43Å | Aromatic |
| C12 | C13 | sing | 1.47Å | 1.42Å | Aromatic |
| C04 | C02 | sing | 1.47Å | 1.44Å | |
| C04 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| N01 | C02 | sing | 1.35Å | 1.33Å | |
| C02 | O03 | doub | 1.22Å | 1.24Å | |
| C13 | C14 | sing | 1.48Å | 1.50Å | |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C19 | doub | 1.39Å | 1.42Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| N01 | H3 | sing | 0.97Å | 1.00Å | |
| N01 | H4 | sing | 0.97Å | 1.00Å | |
| N05 | H5 | sing | 0.97Å | 1.00Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C07 | C06 | 118.9° | 119.9° |
| C07 | C08 | C09 | 120.5° | 120.7° |
| C08 | C07 | H6 | 120.6° | 120.0° |
| C07 | C08 | H7 | 119.8° | 119.7° |
| C07 | C06 | N05 | 130.6° | 132.8° |
| C07 | C06 | C12 | 121.2° | 119.2° |
| C06 | C07 | H6 | 120.6° | 120.1° |
| C08 | C09 | CL1 | 118.6° | 119.8° |
| C08 | C09 | C11 | 122.0° | 120.5° |
| C09 | C08 | H7 | 119.7° | 119.7° |
| CL1 | C09 | C11 | 119.4° | 119.8° |
| N05 | C06 | C12 | 108.2° | 108.0° |
| C06 | N05 | C04 | 110.0° | 110.2° |
| C06 | N05 | H5 | 125.0° | 124.9° |
| C06 | C12 | C11 | 118.2° | 120.0° |
| C06 | C12 | C13 | 106.2° | 106.4° |
| C09 | C11 | C12 | 119.1° | 119.8° |
| C09 | C11 | H8 | 120.4° | 120.1° |
| N05 | C04 | C02 | 122.4° | 125.6° |
| N05 | C04 | C13 | 108.4° | 109.0° |
| C04 | N05 | H5 | 125.0° | 124.9° |
| C16 | C15 | C14 | 120.0° | 119.8° |
| C15 | C16 | C17 | 120.1° | 120.2° |
| C16 | C15 | H1 | 120.0° | 120.0° |
| C15 | C16 | H9 | 120.0° | 119.9° |
| C15 | C14 | C13 | 120.4° | 120.1° |
| C15 | C14 | C19 | 119.4° | 119.8° |
| C14 | C15 | H1 | 120.0° | 120.1° |
| C11 | C12 | C13 | 135.5° | 133.5° |
| C12 | C11 | H8 | 120.5° | 120.2° |
| C12 | C13 | C04 | 107.2° | 106.4° |
| C12 | C13 | C14 | 124.7° | 126.8° |
| C02 | C04 | C13 | 129.2° | 125.5° |
| C04 | C02 | N01 | 116.5° | 120.0° |
| C04 | C02 | O03 | 121.3° | 120.0° |
| C04 | C13 | C14 | 128.0° | 126.8° |
| N01 | C02 | O03 | 122.2° | 120.0° |
| C02 | N01 | H3 | 120.0° | 120.0° |
| C02 | N01 | H4 | 120.0° | 120.0° |
| C13 | C14 | C19 | 120.2° | 120.1° |
| C16 | C17 | C18 | 120.4° | 120.3° |
| C16 | C17 | H2 | 119.8° | 119.9° |
| C17 | C16 | H9 | 119.9° | 119.9° |
| C14 | C19 | C18 | 119.7° | 119.8° |
| C14 | C19 | H11 | 120.1° | 120.1° |
| C17 | C18 | C19 | 120.3° | 120.2° |
| C18 | C17 | H2 | 119.8° | 119.8° |
| C17 | C18 | H10 | 119.8° | 119.9° |
| C19 | C18 | H10 | 119.9° | 119.9° |
| C18 | C19 | H11 | 120.1° | 120.1° |
| H3 | N01 | H4 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C07 | C06 | H6 | 180.0° | 179.9° |
| C07 | C08 | C09 | H7 | 180.0° | 179.9° |
| C07 | C08 | C09 | CL1 | 174.8° | 180.0° |
| C08 | C07 | C06 | N05 | 176.3° | 180.0° |
| C08 | C07 | C06 | C12 | 3.6° | 0.2° |
| C07 | C08 | C09 | C11 | 2.4° | 0.1° |
| C06 | C07 | C08 | C09 | 4.2° | 0.1° |
| C07 | C06 | N05 | C12 | 179.9° | 179.8° |
| C07 | C06 | N05 | C04 | 179.4° | 180.0° |
| C07 | C06 | C12 | C11 | 1.0° | 0.5° |
| C07 | C06 | C12 | C13 | 179.9° | 179.8° |
| C07 | C06 | N05 | H5 | 0.6° | 0.1° |
| C06 | C07 | C08 | H7 | 175.8° | 180.0° |
| C08 | C09 | CL1 | C11 | 177.3° | 180.0° |
| C08 | C09 | C11 | C12 | 0.2° | 0.3° |
| C09 | C08 | C07 | H6 | 175.8° | 180.0° |
| C08 | C09 | C11 | H8 | 179.9° | 180.0° |
| CL1 | C09 | C11 | C12 | 177.4° | 179.7° |
| CL1 | C09 | C08 | H7 | 5.2° | 0.1° |
| CL1 | C09 | C11 | H8 | 2.6° | 0.0° |
| C06 | N05 | C04 | H5 | 180.0° | 180.0° |
| N05 | C06 | C12 | C11 | 178.9° | 179.6° |
| N05 | C06 | C12 | C13 | 0.2° | 0.4° |
| C06 | N05 | C04 | C02 | 179.8° | 180.0° |
| C06 | N05 | C04 | C13 | 1.0° | 0.0° |
| N05 | C06 | C07 | H6 | 3.7° | 0.1° |
| C06 | C12 | C11 | C09 | 0.8° | 0.6° |
| C12 | C06 | N05 | C04 | 0.7° | 0.2° |
| C06 | C12 | C11 | C13 | 178.7° | 179.0° |
| C06 | C12 | C13 | C04 | 0.4° | 0.4° |
| C06 | C12 | C13 | C14 | 178.5° | 179.8° |
| C12 | C06 | N05 | H5 | 179.3° | 179.7° |
| C12 | C06 | C07 | H6 | 176.4° | 179.7° |
| C06 | C12 | C11 | H8 | 179.2° | 179.7° |
| C09 | C11 | C12 | H8 | 180.0° | 179.7° |
| C09 | C11 | C12 | C13 | 177.9° | 179.5° |
| C11 | C09 | C08 | H7 | 177.6° | 180.0° |
| N05 | C04 | C13 | C12 | 0.8° | 0.3° |
| N05 | C04 | C02 | C13 | 179.1° | 179.9° |
| N05 | C04 | C02 | N01 | 154.2° | 0.1° |
| N05 | C04 | C02 | O03 | 24.8° | 180.0° |
| N05 | C04 | C13 | C14 | 178.9° | 180.0° |
| C16 | C15 | C14 | H1 | 180.0° | 179.7° |
| C16 | C15 | C14 | C13 | 179.3° | 180.0° |
| C15 | C16 | C17 | H9 | 180.0° | 179.9° |
| C16 | C15 | C14 | C19 | 1.3° | 0.0° |
| C15 | C16 | C17 | C18 | 1.5° | 0.1° |
| C15 | C16 | C17 | H2 | 178.4° | 180.0° |
| C15 | C14 | C13 | C12 | 65.6° | 115.3° |
| C15 | C14 | C13 | C04 | 112.1° | 65.0° |
| C15 | C14 | C13 | C19 | 179.5° | 180.0° |
| C14 | C15 | C16 | C17 | 1.9° | 0.0° |
| C15 | C14 | C19 | C18 | 0.2° | 0.0° |
| C14 | C15 | C16 | H9 | 178.1° | 180.0° |
| C15 | C14 | C19 | H11 | 179.8° | 180.0° |
| C11 | C12 | C13 | C04 | 179.2° | 179.5° |
| C11 | C12 | C13 | C14 | 2.7° | 0.8° |
| C12 | C13 | C04 | C02 | 180.0° | 179.8° |
| C12 | C13 | C04 | C14 | 178.0° | 179.7° |
| C12 | C13 | C14 | C19 | 114.9° | 64.7° |
| C13 | C12 | C11 | H8 | 2.1° | 0.7° |
| C04 | C02 | N01 | O03 | 179.0° | 179.9° |
| C02 | C04 | C13 | C14 | 1.9° | 0.0° |
| C04 | C02 | N01 | H3 | 179.0° | 179.9° |
| C04 | C02 | N01 | H4 | 1.0° | 0.1° |
| C02 | C04 | N05 | H5 | 0.2° | 0.1° |
| C13 | C04 | C02 | N01 | 26.7° | 180.0° |
| C13 | C04 | C02 | O03 | 154.3° | 0.1° |
| C04 | C13 | C14 | C19 | 67.4° | 115.0° |
| C13 | C04 | N05 | H5 | 179.0° | 180.0° |
| C02 | N01 | H3 | H4 | 180.0° | 180.0° |
| O03 | C02 | N01 | H3 | 0.0° | 0.0° |
| O03 | C02 | N01 | H4 | 180.0° | 180.0° |
| C13 | C14 | C19 | C18 | 179.7° | 180.0° |
| C13 | C14 | C15 | H1 | 0.8° | 0.3° |
| C13 | C14 | C19 | H11 | 0.3° | 0.0° |
| C16 | C17 | C18 | H2 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.5° | 0.1° |
| C17 | C16 | C15 | H1 | 178.1° | 179.7° |
| C16 | C17 | C18 | H10 | 179.5° | 180.0° |
| C14 | C19 | C18 | C17 | 0.2° | 0.1° |
| C14 | C19 | C18 | H11 | 180.0° | 180.0° |
| C19 | C14 | C15 | H1 | 178.7° | 179.7° |
| C14 | C19 | C18 | H10 | 179.8° | 180.0° |
| C17 | C18 | C19 | H10 | 180.0° | 179.9° |
| C18 | C17 | C16 | H9 | 178.4° | 180.0° |
| C17 | C18 | C19 | H11 | 179.8° | 180.0° |
| C19 | C18 | C17 | H2 | 179.5° | 180.0° |
| H1 | C15 | C16 | H9 | 2.0° | 0.3° |
| H2 | C17 | C16 | H9 | 1.6° | 0.0° |
| H2 | C17 | C18 | H10 | 0.5° | 0.1° |
| H6 | C07 | C08 | H7 | 4.2° | 0.1° |
| H10 | C18 | C19 | H11 | 0.2° | 0.1° |
