9WC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C6 | sing | 1.34Å | 1.41Å | |
| O23 | C9 | doub | 1.22Å | 1.20Å | |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.50Å | 1.52Å | |
| C6 | C5 | doub | 1.37Å | 1.33Å | |
| C25 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| O20 | C16 | doub | 1.22Å | 1.20Å | |
| C9 | C5 | sing | 1.47Å | 1.51Å | |
| C9 | C10 | sing | 1.48Å | 1.52Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.47Å | 1.53Å | |
| C15 | C10 | doub | 1.40Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C14 | sing | 1.47Å | 1.36Å | |
| C16 | N18 | sing | 1.35Å | 1.33Å | |
| C10 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| C24 | N18 | sing | 1.40Å | 1.46Å | |
| C24 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.41Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| N18 | C19 | sing | 1.34Å | 1.36Å | |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C4 | O8 | doub | 1.21Å | 1.19Å | |
| C11 | C12 | doub | 1.37Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | N17 | sing | 1.38Å | 1.33Å | |
| C19 | N17 | sing | 1.34Å | 1.36Å | |
| C19 | O21 | doub | 1.22Å | 1.19Å | |
| N17 | C22 | sing | 1.46Å | 1.46Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| O7 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C6 | C1 | 117.7° | 118.7° |
| O7 | C6 | C5 | 120.2° | 118.7° |
| C6 | O7 | H18 | 109.5° | 117.0° |
| O23 | C9 | C5 | 118.5° | 120.0° |
| O23 | C9 | C10 | 113.1° | 120.0° |
| C25 | C26 | C27 | 119.2° | 120.1° |
| C26 | C25 | C24 | 121.1° | 119.9° |
| C25 | C26 | H5 | 120.4° | 120.0° |
| C26 | C25 | H15 | 119.4° | 120.0° |
| C26 | C27 | C28 | 120.1° | 120.1° |
| C27 | C26 | H5 | 120.4° | 120.0° |
| C26 | C27 | H16 | 120.0° | 119.9° |
| C1 | C6 | C5 | 120.8° | 122.5° |
| C6 | C1 | C2 | 112.2° | 111.1° |
| C6 | C1 | H7 | 108.8° | 109.2° |
| C6 | C1 | H8 | 108.8° | 109.1° |
| C6 | C5 | C9 | 118.2° | 120.0° |
| C6 | C5 | C4 | 120.7° | 120.1° |
| C25 | C24 | N18 | 117.1° | 120.1° |
| C25 | C24 | C29 | 119.3° | 119.9° |
| C24 | C25 | H15 | 119.4° | 120.1° |
| C1 | C2 | C3 | 109.8° | 109.2° |
| C2 | C1 | H7 | 108.8° | 109.1° |
| C2 | C1 | H8 | 108.8° | 109.2° |
| C1 | C2 | H9 | 109.4° | 109.5° |
| C1 | C2 | H10 | 109.4° | 109.5° |
| O20 | C16 | C14 | 119.4° | 120.9° |
| O20 | C16 | N18 | 121.0° | 120.8° |
| C5 | C9 | C10 | 128.3° | 120.0° |
| C9 | C5 | C4 | 121.1° | 120.0° |
| C9 | C10 | C15 | 118.3° | 119.9° |
| C9 | C10 | C11 | 121.0° | 120.0° |
| C27 | C28 | C29 | 120.5° | 120.1° |
| C27 | C28 | H6 | 119.7° | 120.0° |
| C28 | C27 | H16 | 120.0° | 120.0° |
| C5 | C4 | C3 | 118.2° | 117.7° |
| C5 | C4 | O8 | 121.3° | 121.2° |
| C10 | C15 | C14 | 120.0° | 119.2° |
| C15 | C10 | C11 | 120.5° | 120.1° |
| C10 | C15 | H1 | 120.0° | 120.4° |
| C15 | C14 | C16 | 119.6° | 121.6° |
| C15 | C14 | C13 | 119.9° | 120.1° |
| C14 | C15 | H1 | 120.0° | 120.4° |
| C14 | C16 | N18 | 119.6° | 118.2° |
| C16 | C14 | C13 | 120.5° | 118.3° |
| C16 | N18 | C24 | 119.9° | 119.4° |
| C16 | N18 | C19 | 119.7° | 121.2° |
| C10 | C11 | C12 | 119.4° | 120.6° |
| C10 | C11 | H13 | 120.3° | 119.7° |
| N18 | C24 | C29 | 123.5° | 120.1° |
| C24 | N18 | C19 | 120.3° | 119.4° |
| C24 | C29 | C28 | 119.7° | 119.9° |
| C24 | C29 | H17 | 120.1° | 120.0° |
| C14 | C13 | C12 | 120.0° | 119.9° |
| C14 | C13 | N17 | 119.5° | 118.7° |
| C2 | C3 | C4 | 108.2° | 107.5° |
| C3 | C2 | H9 | 109.4° | 109.5° |
| C3 | C2 | H10 | 109.4° | 109.5° |
| C2 | C3 | H11 | 109.8° | 109.9° |
| C2 | C3 | H12 | 109.8° | 109.9° |
| N18 | C19 | N17 | 120.4° | 122.9° |
| N18 | C19 | O21 | 120.1° | 118.5° |
| C29 | C28 | H6 | 119.7° | 120.0° |
| C28 | C29 | H17 | 120.2° | 120.0° |
| C3 | C4 | O8 | 120.6° | 121.1° |
| C4 | C3 | H11 | 109.8° | 109.8° |
| C4 | C3 | H12 | 109.8° | 109.9° |
| C11 | C12 | C13 | 120.2° | 120.1° |
| C12 | C11 | H13 | 120.3° | 119.7° |
| C11 | C12 | H14 | 119.9° | 120.0° |
| C12 | C13 | N17 | 120.5° | 121.4° |
| C13 | C12 | H14 | 119.9° | 120.0° |
| C13 | N17 | C19 | 120.2° | 120.7° |
| C13 | N17 | C22 | 120.1° | 119.7° |
| N17 | C19 | O21 | 119.5° | 118.6° |
| C19 | N17 | C22 | 119.7° | 119.6° |
| N17 | C22 | H2 | 109.5° | 109.5° |
| N17 | C22 | H3 | 109.5° | 109.5° |
| N17 | C22 | H4 | 109.5° | 109.5° |
| H2 | C22 | H3 | 109.4° | 109.4° |
| H2 | C22 | H4 | 109.5° | 109.5° |
| H3 | C22 | H4 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.2° |
| H9 | C2 | H10 | 109.5° | 109.6° |
| H11 | C3 | H12 | 109.5° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C6 | C1 | C5 | 167.1° | 179.9° |
| O7 | C6 | C1 | C2 | 163.5° | 157.9° |
| O7 | C6 | C5 | C9 | 7.2° | 0.6° |
| O7 | C6 | C5 | C4 | 173.7° | 179.5° |
| O7 | C6 | C1 | H7 | 76.1° | 37.5° |
| O7 | C6 | C1 | H8 | 43.1° | 81.7° |
| O23 | C9 | C5 | C6 | 4.1° | 66.7° |
| O23 | C9 | C5 | C10 | 177.6° | 179.9° |
| O23 | C9 | C5 | C4 | 176.9° | 113.4° |
| O23 | C9 | C10 | C15 | 74.1° | 5.7° |
| O23 | C9 | C10 | C11 | 100.5° | 174.6° |
| C25 | C26 | C27 | H5 | 180.0° | 179.9° |
| C26 | C25 | C24 | H15 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.5° | 0.2° |
| C26 | C25 | C24 | N18 | 179.8° | 180.0° |
| C26 | C25 | C24 | C29 | 1.6° | 0.3° |
| C25 | C26 | C27 | H16 | 179.6° | 180.0° |
| C27 | C26 | C25 | C24 | 1.3° | 0.0° |
| C26 | C27 | C28 | H16 | 180.0° | 179.8° |
| C26 | C27 | C28 | C29 | 0.0° | 0.1° |
| C26 | C27 | C28 | H6 | 180.0° | 179.7° |
| C27 | C26 | C25 | H15 | 178.7° | 180.0° |
| C6 | C1 | C2 | H7 | 120.4° | 120.4° |
| C6 | C1 | C2 | H8 | 120.4° | 120.4° |
| C1 | C6 | C5 | C9 | 174.0° | 179.5° |
| C1 | C6 | C5 | C4 | 6.9° | 0.5° |
| C6 | C1 | C2 | C3 | 56.2° | 53.4° |
| C6 | C1 | H7 | H8 | 118.7° | 119.2° |
| C6 | C1 | C2 | H9 | 176.3° | 173.3° |
| C6 | C1 | C2 | H10 | 63.8° | 66.5° |
| C1 | C6 | O7 | H18 | 172.5° | 175.3° |
| C5 | C6 | C1 | C2 | 29.4° | 22.0° |
| C6 | C5 | C9 | C4 | 179.1° | 179.9° |
| C6 | C5 | C9 | C10 | 173.5° | 113.4° |
| C6 | C5 | C4 | C3 | 11.9° | 11.7° |
| C6 | C5 | C4 | O8 | 167.8° | 168.2° |
| C5 | C6 | C1 | H7 | 91.0° | 142.4° |
| C5 | C6 | C1 | H8 | 149.8° | 98.4° |
| C5 | C6 | O7 | H18 | 5.3° | 4.8° |
| C25 | C24 | N18 | C16 | 59.0° | 111.1° |
| C25 | C24 | N18 | C29 | 178.6° | 179.7° |
| C25 | C24 | N18 | C19 | 119.0° | 68.9° |
| C25 | C24 | C29 | C28 | 1.1° | 0.4° |
| C24 | C25 | C26 | H5 | 178.7° | 180.0° |
| C25 | C24 | C29 | H17 | 178.9° | 179.7° |
| C1 | C2 | C3 | H9 | 120.1° | 119.9° |
| C1 | C2 | C3 | H10 | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 59.3° | 63.2° |
| C2 | C1 | H7 | H8 | 118.8° | 119.2° |
| C1 | C2 | H9 | H10 | 119.8° | 120.2° |
| C1 | C2 | C3 | H11 | 60.5° | 56.2° |
| C1 | C2 | C3 | H12 | 179.1° | 177.2° |
| O20 | C16 | C14 | C15 | 1.3° | 0.1° |
| O20 | C16 | C14 | N18 | 178.4° | 180.0° |
| O20 | C16 | N18 | C24 | 2.7° | 0.0° |
| O20 | C16 | C14 | C13 | 179.1° | 180.0° |
| O20 | C16 | N18 | C19 | 179.3° | 180.0° |
| C5 | C9 | C10 | C15 | 108.2° | 174.3° |
| C5 | C9 | C10 | C11 | 77.2° | 5.5° |
| C9 | C5 | C4 | C3 | 169.1° | 168.2° |
| C9 | C5 | C4 | O8 | 11.3° | 11.8° |
| C10 | C9 | C5 | C4 | 5.5° | 66.5° |
| C9 | C10 | C15 | C11 | 174.6° | 179.8° |
| C9 | C10 | C15 | C14 | 176.3° | 179.7° |
| C9 | C10 | C11 | C12 | 176.1° | 179.7° |
| C9 | C10 | C15 | H1 | 3.7° | 0.2° |
| C9 | C10 | C11 | H13 | 3.9° | 0.3° |
| C27 | C28 | C29 | C24 | 0.3° | 0.1° |
| C27 | C28 | C29 | H6 | 180.0° | 179.9° |
| C28 | C27 | C26 | H5 | 179.6° | 179.8° |
| C27 | C28 | C29 | H17 | 179.7° | 180.0° |
| C5 | C4 | C3 | C2 | 37.9° | 42.6° |
| C5 | C4 | C3 | O8 | 179.7° | 179.9° |
| C5 | C4 | C3 | H11 | 81.9° | 76.9° |
| C5 | C4 | C3 | H12 | 157.7° | 162.1° |
| C10 | C15 | C14 | H1 | 180.0° | 179.9° |
| C10 | C15 | C14 | C16 | 179.5° | 180.0° |
| C10 | C15 | C14 | C13 | 0.9° | 0.1° |
| C15 | C10 | C11 | C12 | 1.6° | 0.0° |
| C15 | C10 | C11 | H13 | 178.4° | 179.9° |
| C15 | C14 | C16 | C13 | 179.6° | 179.9° |
| C15 | C14 | C16 | N18 | 179.7° | 180.0° |
| C14 | C15 | C10 | C11 | 1.7° | 0.1° |
| C15 | C14 | C13 | C12 | 0.1° | 0.1° |
| C15 | C14 | C13 | N17 | 179.9° | 180.0° |
| C14 | C16 | N18 | C24 | 178.9° | 180.0° |
| C14 | C16 | N18 | C19 | 0.9° | 0.0° |
| C16 | C14 | C13 | C12 | 179.7° | 180.0° |
| C16 | C14 | C13 | N17 | 0.5° | 0.0° |
| C16 | C14 | C15 | H1 | 0.5° | 0.1° |
| C16 | N18 | C24 | C19 | 177.9° | 180.0° |
| C16 | N18 | C24 | C29 | 122.4° | 68.6° |
| N18 | C16 | C14 | C13 | 0.7° | 0.0° |
| C16 | N18 | C19 | N17 | 1.0° | 0.0° |
| C16 | N18 | C19 | O21 | 179.6° | 180.0° |
| C10 | C11 | C12 | H13 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.8° | 0.0° |
| C11 | C10 | C15 | H1 | 178.3° | 180.0° |
| C10 | C11 | C12 | H14 | 179.2° | 180.0° |
| N18 | C24 | C29 | C28 | 179.6° | 180.0° |
| C24 | N18 | C19 | N17 | 179.0° | 180.0° |
| C24 | N18 | C19 | O21 | 1.7° | 0.1° |
| N18 | C24 | C25 | H15 | 0.2° | 0.1° |
| N18 | C24 | C29 | H17 | 0.4° | 0.1° |
| C29 | C24 | N18 | C19 | 59.6° | 111.5° |
| C24 | C29 | C28 | H17 | 180.0° | 179.9° |
| C24 | C29 | C28 | H6 | 179.7° | 180.0° |
| C29 | C24 | C25 | H15 | 178.4° | 179.7° |
| C14 | C13 | C12 | C11 | 0.0° | 0.0° |
| C14 | C13 | C12 | N17 | 179.8° | 179.9° |
| C14 | C13 | N17 | C19 | 0.6° | 0.0° |
| C14 | C13 | N17 | C22 | 180.0° | 180.0° |
| C13 | C14 | C15 | H1 | 179.1° | 180.0° |
| C14 | C13 | C12 | H14 | 180.0° | 180.0° |
| C2 | C3 | C4 | H11 | 119.8° | 119.5° |
| C2 | C3 | C4 | H12 | 119.8° | 119.5° |
| C2 | C3 | C4 | O8 | 141.8° | 137.3° |
| C3 | C2 | C1 | H7 | 64.2° | 173.8° |
| C3 | C2 | C1 | H8 | 176.6° | 66.9° |
| C3 | C2 | H9 | H10 | 119.8° | 120.1° |
| C2 | C3 | H11 | H12 | 120.6° | 121.0° |
| N18 | C19 | N17 | C13 | 0.9° | 0.0° |
| N18 | C19 | N17 | O21 | 179.4° | 180.0° |
| N18 | C19 | N17 | C22 | 179.7° | 180.0° |
| C29 | C28 | C27 | H16 | 180.0° | 180.0° |
| C4 | C3 | C2 | H9 | 179.4° | 176.9° |
| C4 | C3 | C2 | H10 | 60.7° | 56.7° |
| C4 | C3 | H11 | H12 | 120.6° | 121.0° |
| O8 | C4 | C3 | H11 | 98.4° | 103.2° |
| O8 | C4 | C3 | H12 | 22.0° | 17.8° |
| C11 | C12 | C13 | H14 | 180.0° | 180.0° |
| C11 | C12 | C13 | N17 | 179.8° | 180.0° |
| C12 | C13 | N17 | C19 | 179.6° | 180.0° |
| C12 | C13 | N17 | C22 | 0.2° | 0.0° |
| C13 | C12 | C11 | H13 | 179.2° | 180.0° |
| C13 | N17 | C19 | C22 | 179.4° | 180.0° |
| C13 | N17 | C19 | O21 | 179.8° | 180.0° |
| C13 | N17 | C22 | H2 | 180.0° | 90.0° |
| C13 | N17 | C22 | H3 | 60.0° | 150.0° |
| C13 | N17 | C22 | H4 | 60.0° | 30.0° |
| N17 | C13 | C12 | H14 | 0.1° | 0.0° |
| C19 | N17 | C22 | H2 | 0.6° | 90.0° |
| C19 | N17 | C22 | H3 | 120.5° | 30.0° |
| C19 | N17 | C22 | H4 | 119.5° | 150.0° |
| O21 | C19 | N17 | C22 | 0.3° | 0.0° |
| N17 | C22 | H2 | H3 | 120.0° | 120.0° |
| N17 | C22 | H2 | H4 | 120.0° | 120.1° |
| N17 | C22 | H3 | H4 | 120.0° | 120.1° |
| H2 | C22 | H3 | H4 | 120.0° | 119.9° |
| H5 | C26 | C25 | H15 | 1.3° | 0.1° |
| H5 | C26 | C27 | H16 | 0.4° | 0.1° |
| H6 | C28 | C27 | H16 | 0.1° | 0.1° |
| H6 | C28 | C29 | H17 | 0.3° | 0.1° |
| H7 | C1 | C2 | H9 | 55.8° | 66.3° |
| H7 | C1 | C2 | H10 | 175.7° | 53.9° |
| H8 | C1 | C2 | H9 | 63.3° | 52.9° |
| H8 | C1 | C2 | H10 | 56.6° | 173.1° |
| H9 | C2 | C3 | H11 | 59.6° | 63.7° |
| H9 | C2 | C3 | H12 | 60.8° | 57.3° |
| H10 | C2 | C3 | H11 | 179.5° | 176.2° |
| H10 | C2 | C3 | H12 | 59.1° | 62.8° |
| H13 | C11 | C12 | H14 | 0.8° | 0.0° |
