WOQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.50Å | 1.51Å | |
| C12 | C13 | sing | 1.50Å | 1.51Å | |
| C11 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.41Å | 1.40Å | Aromatic |
| C6 | C4 | sing | 1.48Å | 1.48Å | |
| C5 | C4 | sing | 1.52Å | 1.50Å | |
| C5 | N | sing | 1.46Å | 1.46Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.32Å | 1.35Å | |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C | N | sing | 1.47Å | 1.46Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | C18 | sing | 1.48Å | 1.48Å | |
| C3 | C2 | sing | 1.52Å | 1.50Å | |
| C18 | C17 | doub | 1.41Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.08Å | 1.08Å | |
| C8 | H19 | sing | 1.08Å | 1.08Å | |
| C9 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | C11 | 120.7° | 120.2° |
| C10 | C9 | C8 | 120.2° | 120.0° |
| C9 | C10 | H7 | 119.6° | 119.9° |
| C10 | C9 | H20 | 119.9° | 120.0° |
| C10 | C11 | C12 | 121.5° | 118.3° |
| C10 | C11 | C6 | 119.0° | 120.3° |
| C11 | C10 | H7 | 119.7° | 119.9° |
| C9 | C8 | C7 | 120.2° | 120.2° |
| C9 | C8 | H19 | 119.9° | 119.9° |
| C8 | C9 | H20 | 119.9° | 120.1° |
| C11 | C12 | C13 | 109.2° | 108.8° |
| C12 | C11 | C6 | 119.5° | 121.4° |
| C11 | C12 | H8 | 109.5° | 109.6° |
| C11 | C12 | H9 | 109.5° | 109.6° |
| C12 | C13 | C14 | 121.4° | 118.3° |
| C12 | C13 | C18 | 119.6° | 121.4° |
| C13 | C12 | H8 | 109.5° | 109.5° |
| C13 | C12 | H9 | 109.6° | 109.6° |
| C11 | C6 | C7 | 119.7° | 119.1° |
| C11 | C6 | C4 | 121.1° | 124.2° |
| C8 | C7 | C6 | 120.1° | 120.1° |
| C8 | C7 | H18 | 119.9° | 120.0° |
| C7 | C8 | H19 | 119.9° | 119.9° |
| C7 | C6 | C4 | 119.1° | 116.7° |
| C6 | C7 | H18 | 120.0° | 119.9° |
| C6 | C4 | C5 | 111.4° | 113.9° |
| C6 | C4 | C3 | 125.8° | 124.3° |
| C4 | C5 | N | 111.6° | 111.5° |
| C5 | C4 | C3 | 122.8° | 121.8° |
| C4 | C5 | H16 | 108.9° | 109.1° |
| C4 | C5 | H17 | 108.9° | 109.1° |
| C5 | N | C | 110.3° | 111.0° |
| C5 | N | C1 | 109.9° | 109.4° |
| N | C5 | H16 | 108.9° | 109.1° |
| N | C5 | H17 | 108.9° | 109.1° |
| C14 | C13 | C18 | 119.1° | 120.3° |
| C13 | C14 | C15 | 120.6° | 120.3° |
| C13 | C14 | H10 | 119.7° | 119.9° |
| C13 | C18 | C3 | 121.2° | 124.0° |
| C13 | C18 | C17 | 119.7° | 119.2° |
| C4 | C3 | C18 | 124.7° | 124.6° |
| C4 | C3 | C2 | 121.7° | 121.6° |
| C14 | C15 | C16 | 120.2° | 120.0° |
| C15 | C14 | H10 | 119.7° | 119.9° |
| C14 | C15 | H11 | 119.9° | 120.0° |
| C | N | C1 | 110.7° | 111.0° |
| N | C | H2 | 109.5° | 109.5° |
| N | C | H3 | 109.4° | 109.5° |
| N | C | H4 | 109.5° | 109.4° |
| N | C1 | C2 | 110.5° | 107.6° |
| N | C1 | H5 | 109.2° | 109.8° |
| N | C1 | H6 | 109.2° | 109.8° |
| C1 | C2 | C3 | 109.1° | 110.7° |
| C2 | C1 | H5 | 109.2° | 109.8° |
| C2 | C1 | H6 | 109.2° | 109.8° |
| C1 | C2 | H14 | 109.5° | 109.2° |
| C1 | C2 | H15 | 109.5° | 109.2° |
| C18 | C3 | C2 | 113.6° | 113.8° |
| C3 | C18 | C17 | 119.1° | 116.8° |
| C3 | C2 | H14 | 109.6° | 109.2° |
| C3 | C2 | H15 | 109.6° | 109.2° |
| C18 | C17 | C16 | 120.1° | 120.1° |
| C18 | C17 | H13 | 120.0° | 119.9° |
| C15 | C16 | C17 | 120.3° | 120.2° |
| C16 | C15 | H11 | 119.9° | 120.0° |
| C15 | C16 | H12 | 119.9° | 119.9° |
| C17 | C16 | H12 | 119.9° | 119.9° |
| C16 | C17 | H13 | 119.9° | 120.0° |
| H2 | C | H3 | 109.5° | 109.5° |
| H2 | C | H4 | 109.5° | 109.4° |
| H3 | C | H4 | 109.4° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.9° |
| H8 | C12 | H9 | 109.5° | 109.7° |
| H14 | C2 | H15 | 109.5° | 109.3° |
| H16 | C5 | H17 | 109.4° | 109.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | C11 | H7 | 180.0° | 179.9° |
| C10 | C9 | C8 | H20 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 179.1° | 179.1° |
| C9 | C10 | C11 | C6 | 0.3° | 0.4° |
| C10 | C9 | C8 | C7 | 0.2° | 0.1° |
| C10 | C9 | C8 | H19 | 179.8° | 179.8° |
| C11 | C10 | C9 | C8 | 0.1° | 0.0° |
| C10 | C11 | C12 | C6 | 179.5° | 179.5° |
| C10 | C11 | C12 | C13 | 112.8° | 116.5° |
| C10 | C11 | C6 | C7 | 0.6° | 0.5° |
| C10 | C11 | C6 | C4 | 177.4° | 178.9° |
| C10 | C11 | C12 | H8 | 127.3° | 3.3° |
| C10 | C11 | C12 | H9 | 7.2° | 123.7° |
| C11 | C10 | C9 | H20 | 179.9° | 180.0° |
| C9 | C8 | C7 | H19 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.1° | 0.0° |
| C8 | C9 | C10 | H7 | 179.9° | 180.0° |
| C9 | C8 | C7 | H18 | 179.9° | 179.9° |
| C11 | C12 | C13 | H8 | 119.9° | 119.8° |
| C11 | C12 | C13 | H9 | 119.9° | 119.8° |
| C12 | C11 | C6 | C7 | 178.8° | 179.0° |
| C12 | C11 | C6 | C4 | 3.1° | 1.7° |
| C11 | C12 | C13 | C14 | 110.3° | 116.9° |
| C11 | C12 | C13 | C18 | 69.5° | 63.0° |
| C12 | C11 | C10 | H7 | 0.9° | 0.8° |
| C11 | C12 | H8 | H9 | 120.1° | 120.4° |
| C13 | C12 | C11 | C6 | 66.7° | 62.9° |
| C12 | C13 | C14 | C18 | 179.8° | 179.9° |
| C12 | C13 | C14 | C15 | 179.8° | 179.6° |
| C12 | C13 | C18 | C3 | 0.5° | 1.5° |
| C12 | C13 | C18 | C17 | 180.0° | 179.3° |
| C13 | C12 | H8 | H9 | 120.2° | 120.3° |
| C12 | C13 | C14 | H10 | 0.2° | 0.5° |
| C11 | C6 | C7 | C8 | 0.6° | 0.3° |
| C11 | C6 | C7 | C4 | 178.1° | 179.4° |
| C11 | C6 | C4 | C5 | 136.8° | 139.2° |
| C11 | C6 | C4 | C3 | 43.2° | 41.0° |
| C6 | C11 | C10 | H7 | 179.7° | 179.7° |
| C6 | C11 | C12 | H8 | 53.3° | 177.3° |
| C6 | C11 | C12 | H9 | 173.4° | 56.8° |
| C11 | C6 | C7 | H18 | 179.4° | 179.6° |
| C8 | C7 | C6 | H18 | 180.0° | 179.9° |
| C8 | C7 | C6 | C4 | 177.5° | 179.1° |
| C7 | C8 | C9 | H20 | 179.8° | 179.8° |
| C7 | C6 | C4 | C5 | 41.2° | 40.1° |
| C7 | C6 | C4 | C3 | 138.8° | 139.6° |
| C6 | C7 | C8 | H19 | 179.9° | 180.0° |
| C6 | C4 | C5 | C3 | 180.0° | 179.8° |
| C6 | C4 | C5 | N | 165.8° | 162.3° |
| C6 | C4 | C3 | C18 | 1.2° | 0.2° |
| C6 | C4 | C3 | C2 | 179.6° | 179.3° |
| C6 | C4 | C5 | H16 | 45.5° | 77.2° |
| C6 | C4 | C5 | H17 | 73.9° | 41.8° |
| C4 | C6 | C7 | H18 | 2.5° | 1.0° |
| C4 | C5 | N | H16 | 120.4° | 120.5° |
| C4 | C5 | N | H17 | 120.3° | 120.5° |
| C4 | C5 | N | C | 169.9° | 175.4° |
| C4 | C5 | N | C1 | 47.5° | 52.5° |
| C5 | C4 | C3 | C18 | 178.8° | 179.6° |
| C5 | C4 | C3 | C2 | 0.3° | 0.9° |
| C4 | C5 | H16 | H17 | 119.0° | 119.0° |
| N | C5 | C4 | C3 | 14.2° | 17.9° |
| C5 | N | C | C1 | 121.9° | 121.9° |
| C5 | N | C1 | C2 | 68.6° | 70.4° |
| C5 | N | C | H2 | 180.0° | 177.9° |
| C5 | N | C | H3 | 60.0° | 62.1° |
| C5 | N | C | H4 | 60.0° | 58.0° |
| C5 | N | C1 | H5 | 171.2° | 170.1° |
| C5 | N | C1 | H6 | 51.6° | 49.1° |
| N | C5 | H16 | H17 | 119.0° | 119.0° |
| C13 | C14 | C15 | H10 | 180.0° | 180.0° |
| C14 | C13 | C18 | C3 | 179.3° | 178.6° |
| C14 | C13 | C18 | C17 | 0.2° | 0.6° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C14 | C13 | C12 | H8 | 129.8° | 3.0° |
| C14 | C13 | C12 | H9 | 9.6° | 123.3° |
| C13 | C14 | C15 | H11 | 179.9° | 180.0° |
| C13 | C18 | C3 | C4 | 42.7° | 41.1° |
| C18 | C13 | C14 | C15 | 0.0° | 0.3° |
| C13 | C18 | C3 | C17 | 179.5° | 179.2° |
| C13 | C18 | C3 | C2 | 138.0° | 138.4° |
| C13 | C18 | C17 | C16 | 0.3° | 0.4° |
| C18 | C13 | C12 | H8 | 50.5° | 177.1° |
| C18 | C13 | C12 | H9 | 170.6° | 56.8° |
| C18 | C13 | C14 | H10 | 179.9° | 179.6° |
| C13 | C18 | C17 | H13 | 179.7° | 179.5° |
| C4 | C3 | C2 | C1 | 17.7° | 17.8° |
| C4 | C3 | C18 | C2 | 179.2° | 179.5° |
| C4 | C3 | C18 | C17 | 136.8° | 139.7° |
| C4 | C3 | C2 | H14 | 102.3° | 102.5° |
| C4 | C3 | C2 | H15 | 137.6° | 138.0° |
| C3 | C4 | C5 | H16 | 134.5° | 102.6° |
| C3 | C4 | C5 | H17 | 106.1° | 138.4° |
| C14 | C15 | C16 | H11 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.1° | 0.3° |
| C14 | C15 | C16 | H12 | 179.9° | 179.7° |
| C | N | C1 | C2 | 169.2° | 166.7° |
| N | C | H2 | H3 | 120.0° | 120.0° |
| N | C | H2 | H4 | 120.0° | 119.9° |
| N | C | H3 | H4 | 120.0° | 120.0° |
| C | N | C1 | H5 | 49.1° | 47.3° |
| C | N | C1 | H6 | 70.6° | 73.7° |
| C | N | C5 | H16 | 69.8° | 54.9° |
| C | N | C5 | H17 | 49.6° | 64.1° |
| N | C1 | C2 | H5 | 120.2° | 119.5° |
| N | C1 | C2 | H6 | 120.2° | 119.5° |
| N | C1 | C2 | C3 | 51.3° | 50.9° |
| C1 | N | C | H2 | 58.1° | 56.0° |
| C1 | N | C | H3 | 178.1° | 176.0° |
| C1 | N | C | H4 | 61.9° | 63.9° |
| N | C1 | H5 | H6 | 119.5° | 120.9° |
| N | C1 | C2 | H14 | 68.7° | 69.4° |
| N | C1 | C2 | H15 | 171.2° | 171.2° |
| C1 | N | C5 | H16 | 167.9° | 68.0° |
| C1 | N | C5 | H17 | 72.8° | 173.0° |
| C1 | C2 | C3 | C18 | 163.0° | 162.7° |
| C1 | C2 | C3 | H14 | 119.9° | 120.3° |
| C1 | C2 | C3 | H15 | 119.9° | 120.3° |
| C2 | C1 | H5 | H6 | 119.5° | 120.9° |
| C1 | C2 | H14 | H15 | 120.1° | 119.4° |
| C3 | C18 | C17 | C16 | 179.3° | 178.8° |
| C3 | C18 | C17 | H13 | 0.7° | 1.3° |
| C18 | C3 | C2 | H14 | 77.0° | 77.1° |
| C18 | C3 | C2 | H15 | 43.1° | 42.4° |
| C2 | C3 | C18 | C17 | 42.4° | 40.8° |
| C3 | C2 | C1 | H5 | 171.4° | 170.4° |
| C3 | C2 | C1 | H6 | 68.9° | 68.6° |
| C3 | C2 | H14 | H15 | 120.2° | 119.4° |
| C18 | C17 | C16 | C15 | 0.1° | 0.0° |
| C18 | C17 | C16 | H13 | 180.0° | 180.0° |
| C18 | C17 | C16 | H12 | 179.9° | 180.0° |
| C15 | C16 | C17 | H12 | 180.0° | 180.0° |
| C16 | C15 | C14 | H10 | 179.9° | 179.9° |
| C15 | C16 | C17 | H13 | 179.9° | 180.0° |
| C17 | C16 | C15 | H11 | 179.9° | 179.8° |
| H2 | C | H3 | H4 | 120.0° | 120.0° |
| H5 | C1 | C2 | H14 | 51.5° | 50.2° |
| H5 | C1 | C2 | H15 | 68.6° | 69.3° |
| H6 | C1 | C2 | H14 | 171.1° | 171.1° |
| H6 | C1 | C2 | H15 | 51.1° | 51.6° |
| H7 | C10 | C9 | H20 | 0.1° | 0.1° |
| H10 | C14 | C15 | H11 | 0.1° | 0.0° |
| H11 | C15 | C16 | H12 | 0.1° | 0.2° |
| H12 | C16 | C17 | H13 | 0.1° | 0.0° |
| H18 | C7 | C8 | H19 | 0.1° | 0.1° |
| H19 | C8 | C9 | H20 | 0.2° | 0.2° |
