O1O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C11 | sing | 1.34Å | 1.40Å | |
| O10 | C8 | doub | 1.22Å | 1.19Å | |
| C26 | N22 | sing | 1.46Å | 1.46Å | |
| C11 | C12 | sing | 1.50Å | 1.52Å | |
| C11 | C9 | doub | 1.38Å | 1.32Å | |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| F32 | C31 | sing | 1.40Å | 1.37Å | |
| C8 | C9 | sing | 1.47Å | 1.52Å | |
| C8 | C1 | sing | 1.48Å | 1.53Å | |
| O24 | C23 | doub | 1.22Å | 1.18Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| F34 | C31 | sing | 1.40Å | 1.37Å | |
| N22 | C23 | sing | 1.35Å | 1.36Å | |
| N22 | C21 | sing | 1.37Å | 1.34Å | |
| C9 | C15 | sing | 1.47Å | 1.53Å | |
| C23 | N18 | sing | 1.35Å | 1.34Å | |
| C31 | C21 | sing | 1.51Å | 1.55Å | |
| C31 | F33 | sing | 1.40Å | 1.37Å | |
| C6 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.35Å | 1.36Å | |
| C1 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| N18 | C5 | sing | 1.40Å | 1.47Å | |
| N18 | C19 | sing | 1.35Å | 1.32Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C15 | O17 | doub | 1.21Å | 1.19Å | |
| C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.54Å | 1.52Å | |
| C20 | C19 | sing | 1.42Å | 1.35Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | O25 | doub | 1.22Å | 1.18Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | S27 | sing | 1.76Å | 1.82Å | |
| O29 | S27 | doub | 1.42Å | 1.47Å | |
| S27 | C30 | sing | 1.81Å | 1.81Å | |
| S27 | O28 | doub | 1.42Å | 1.47Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C30 | H16 | sing | 1.09Å | 1.10Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| O16 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C11 | C12 | 117.7° | 118.8° |
| O16 | C11 | C9 | 121.3° | 118.7° |
| C11 | O16 | H19 | 109.5° | 117.0° |
| O10 | C8 | C9 | 118.2° | 120.0° |
| O10 | C8 | C1 | 118.8° | 120.0° |
| C26 | N22 | C23 | 116.1° | 119.7° |
| C26 | N22 | C21 | 124.2° | 119.7° |
| N22 | C26 | H4 | 109.5° | 109.5° |
| N22 | C26 | H5 | 109.5° | 109.5° |
| N22 | C26 | H6 | 109.5° | 109.5° |
| C12 | C11 | C9 | 121.0° | 122.5° |
| C11 | C12 | C13 | 111.0° | 111.1° |
| C11 | C12 | H12 | 109.1° | 109.1° |
| C11 | C12 | H13 | 109.1° | 109.2° |
| C11 | C9 | C8 | 119.1° | 119.9° |
| C11 | C9 | C15 | 120.0° | 120.1° |
| C7 | C6 | C1 | 118.5° | 120.1° |
| C7 | C6 | C5 | 120.3° | 120.1° |
| C6 | C7 | H9 | 109.5° | 109.4° |
| C6 | C7 | H10 | 109.5° | 109.5° |
| C6 | C7 | H11 | 109.5° | 109.5° |
| F32 | C31 | F34 | 108.8° | 109.5° |
| F32 | C31 | C21 | 108.8° | 109.5° |
| F32 | C31 | F33 | 107.8° | 109.5° |
| C9 | C8 | C1 | 123.0° | 120.0° |
| C8 | C9 | C15 | 120.8° | 120.0° |
| C8 | C1 | C6 | 119.9° | 120.1° |
| C8 | C1 | C2 | 120.2° | 120.1° |
| O24 | C23 | N22 | 119.8° | 119.5° |
| O24 | C23 | N18 | 118.4° | 119.6° |
| C12 | C13 | C14 | 109.2° | 109.2° |
| C12 | C13 | H1 | 109.6° | 109.5° |
| C12 | C13 | H2 | 109.6° | 109.6° |
| C13 | C12 | H12 | 109.1° | 109.1° |
| C13 | C12 | H13 | 109.1° | 109.2° |
| F34 | C31 | C21 | 116.2° | 109.5° |
| F34 | C31 | F33 | 107.5° | 109.4° |
| C23 | N22 | C21 | 119.7° | 120.6° |
| N22 | C23 | N18 | 121.7° | 120.9° |
| N22 | C21 | C31 | 126.8° | 120.2° |
| N22 | C21 | C20 | 118.1° | 119.7° |
| C9 | C15 | C14 | 118.7° | 117.6° |
| C9 | C15 | O17 | 121.3° | 121.2° |
| C23 | N18 | C5 | 120.1° | 119.9° |
| C23 | N18 | C19 | 118.7° | 120.3° |
| C21 | C31 | F33 | 107.4° | 109.5° |
| C31 | C21 | C20 | 115.1° | 120.2° |
| C1 | C6 | C5 | 121.2° | 119.8° |
| C6 | C1 | C2 | 119.9° | 119.8° |
| C6 | C5 | N18 | 117.1° | 120.0° |
| C6 | C5 | C4 | 118.7° | 120.0° |
| C21 | C20 | C19 | 121.4° | 119.2° |
| C21 | C20 | H3 | 119.3° | 120.4° |
| C1 | C2 | C3 | 119.4° | 120.0° |
| C1 | C2 | H7 | 120.3° | 120.0° |
| C5 | N18 | C19 | 121.2° | 119.8° |
| N18 | C5 | C4 | 124.2° | 120.0° |
| N18 | C19 | C20 | 120.4° | 119.3° |
| N18 | C19 | O25 | 119.6° | 120.3° |
| C14 | C15 | O17 | 119.9° | 121.2° |
| C15 | C14 | C13 | 109.1° | 107.5° |
| C15 | C14 | H14 | 109.6° | 109.9° |
| C15 | C14 | H15 | 109.5° | 109.9° |
| C5 | C4 | C3 | 119.6° | 120.2° |
| C5 | C4 | S27 | 124.0° | 119.9° |
| C14 | C13 | H1 | 109.5° | 109.5° |
| C14 | C13 | H2 | 109.5° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.8° |
| C13 | C14 | H15 | 109.6° | 109.8° |
| C20 | C19 | O25 | 119.9° | 120.4° |
| C19 | C20 | H3 | 119.3° | 120.4° |
| C2 | C3 | C4 | 121.3° | 120.2° |
| C3 | C2 | H7 | 120.3° | 120.0° |
| C2 | C3 | H8 | 119.3° | 119.9° |
| C3 | C4 | S27 | 116.5° | 119.9° |
| C4 | C3 | H8 | 119.4° | 119.9° |
| C4 | S27 | O29 | 108.5° | 104.3° |
| C4 | S27 | C30 | 114.9° | 104.4° |
| C4 | S27 | O28 | 110.8° | 104.3° |
| O29 | S27 | C30 | 110.6° | 110.5° |
| O29 | S27 | O28 | 100.3° | 121.0° |
| C30 | S27 | O28 | 110.8° | 110.5° |
| S27 | C30 | H16 | 109.5° | 109.5° |
| S27 | C30 | H17 | 109.5° | 109.5° |
| S27 | C30 | H18 | 109.5° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H4 | C26 | H5 | 109.4° | 109.4° |
| H4 | C26 | H6 | 109.5° | 109.4° |
| H5 | C26 | H6 | 109.4° | 109.5° |
| H9 | C7 | H10 | 109.4° | 109.4° |
| H9 | C7 | H11 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.4° | 109.1° |
| H14 | C14 | H15 | 109.5° | 109.9° |
| H16 | C30 | H17 | 109.5° | 109.4° |
| H16 | C30 | H18 | 109.5° | 109.5° |
| H17 | C30 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C11 | C12 | C9 | 179.6° | 179.9° |
| O16 | C11 | C9 | C8 | 12.0° | 0.5° |
| O16 | C11 | C12 | C13 | 153.3° | 158.0° |
| O16 | C11 | C9 | C15 | 172.0° | 179.5° |
| O16 | C11 | C12 | H12 | 86.5° | 37.6° |
| O16 | C11 | C12 | H13 | 33.0° | 81.6° |
| O10 | C8 | C9 | C11 | 13.1° | 62.6° |
| O10 | C8 | C9 | C1 | 179.9° | 179.9° |
| O10 | C8 | C9 | C15 | 170.9° | 117.3° |
| O10 | C8 | C1 | C6 | 90.9° | 6.5° |
| O10 | C8 | C1 | C2 | 87.4° | 173.7° |
| C26 | N22 | C23 | O24 | 0.3° | 0.1° |
| C26 | N22 | C23 | C21 | 180.0° | 179.2° |
| C26 | N22 | C23 | N18 | 179.6° | 180.0° |
| C26 | N22 | C21 | C31 | 0.5° | 0.3° |
| C26 | N22 | C21 | C20 | 179.8° | 179.7° |
| N22 | C26 | H4 | H5 | 120.0° | 120.0° |
| N22 | C26 | H4 | H6 | 120.0° | 120.0° |
| N22 | C26 | H5 | H6 | 120.0° | 120.1° |
| C12 | C11 | C9 | C8 | 167.6° | 179.4° |
| C11 | C12 | C13 | H12 | 120.2° | 120.4° |
| C11 | C12 | C13 | H13 | 120.3° | 120.5° |
| C12 | C11 | C9 | C15 | 8.4° | 0.6° |
| C11 | C12 | C13 | C14 | 60.0° | 53.5° |
| C11 | C12 | C13 | H1 | 180.0° | 173.4° |
| C11 | C12 | C13 | H2 | 59.9° | 66.5° |
| C11 | C12 | H12 | H13 | 119.3° | 119.2° |
| C12 | C11 | O16 | H19 | 173.8° | 175.4° |
| C11 | C9 | C8 | C15 | 176.0° | 180.0° |
| C11 | C9 | C8 | C1 | 166.8° | 117.5° |
| C9 | C11 | C12 | C13 | 26.3° | 22.1° |
| C11 | C9 | C15 | C14 | 9.3° | 11.9° |
| C11 | C9 | C15 | O17 | 169.8° | 168.2° |
| C9 | C11 | C12 | H12 | 94.0° | 142.5° |
| C9 | C11 | C12 | H13 | 146.5° | 98.4° |
| C9 | C11 | O16 | H19 | 5.8° | 4.7° |
| C7 | C6 | C1 | C8 | 1.4° | 0.2° |
| C7 | C6 | C1 | C5 | 179.6° | 180.0° |
| C7 | C6 | C1 | C2 | 179.7° | 180.0° |
| C7 | C6 | C5 | N18 | 0.0° | 0.0° |
| C7 | C6 | C5 | C4 | 179.8° | 180.0° |
| C6 | C7 | H9 | H10 | 120.0° | 120.0° |
| C6 | C7 | H9 | H11 | 120.0° | 120.1° |
| C6 | C7 | H10 | H11 | 120.0° | 120.1° |
| F32 | C31 | F34 | C21 | 123.2° | 120.0° |
| F32 | C31 | F34 | F33 | 116.5° | 120.0° |
| F32 | C31 | C21 | N22 | 101.8° | 60.0° |
| F32 | C31 | C21 | F33 | 116.5° | 120.0° |
| F32 | C31 | C21 | C20 | 77.4° | 120.0° |
| C9 | C8 | C1 | C6 | 89.2° | 173.4° |
| C9 | C8 | C1 | C2 | 92.5° | 6.4° |
| C8 | C9 | C15 | C14 | 166.6° | 168.2° |
| C8 | C9 | C15 | O17 | 14.3° | 11.8° |
| C1 | C8 | C9 | C15 | 9.2° | 62.6° |
| C8 | C1 | C6 | C2 | 178.3° | 179.8° |
| C8 | C1 | C6 | C5 | 179.1° | 179.8° |
| C8 | C1 | C2 | C3 | 178.8° | 179.7° |
| C8 | C1 | C2 | H7 | 1.2° | 0.3° |
| O24 | C23 | N22 | N18 | 179.4° | 180.0° |
| O24 | C23 | N22 | C21 | 179.7° | 179.1° |
| O24 | C23 | N18 | C5 | 1.5° | 0.0° |
| O24 | C23 | N18 | C19 | 179.7° | 179.4° |
| C12 | C13 | C14 | C15 | 57.7° | 63.3° |
| C12 | C13 | C14 | H1 | 119.9° | 119.9° |
| C12 | C13 | C14 | H2 | 120.0° | 120.0° |
| C12 | C13 | H1 | H2 | 120.2° | 120.2° |
| C13 | C12 | H12 | H13 | 119.3° | 119.2° |
| C12 | C13 | C14 | H14 | 177.6° | 56.2° |
| C12 | C13 | C14 | H15 | 62.2° | 177.2° |
| F34 | C31 | C21 | N22 | 21.4° | 60.0° |
| F34 | C31 | C21 | F33 | 120.3° | 120.0° |
| F34 | C31 | C21 | C20 | 159.4° | 120.0° |
| C23 | N22 | C21 | C31 | 179.5° | 179.5° |
| C23 | N22 | C21 | C20 | 0.2° | 0.5° |
| N22 | C23 | N18 | C5 | 179.2° | 180.0° |
| N22 | C23 | N18 | C19 | 0.9° | 0.5° |
| C23 | N22 | C26 | H4 | 180.0° | 0.1° |
| C23 | N22 | C26 | H5 | 60.0° | 120.0° |
| C23 | N22 | C26 | H6 | 60.0° | 119.9° |
| C21 | N22 | C23 | N18 | 0.4° | 0.8° |
| N22 | C21 | C31 | C20 | 179.3° | 180.0° |
| N22 | C21 | C31 | F33 | 141.7° | 180.0° |
| N22 | C21 | C20 | C19 | 0.3° | 0.0° |
| N22 | C21 | C20 | H3 | 179.7° | 179.7° |
| C21 | N22 | C26 | H4 | 0.0° | 179.2° |
| C21 | N22 | C26 | H5 | 120.0° | 59.2° |
| C21 | N22 | C26 | H6 | 120.0° | 60.9° |
| C9 | C15 | C14 | O17 | 179.1° | 180.0° |
| C9 | C15 | C14 | C13 | 24.4° | 42.8° |
| C9 | C15 | C14 | H14 | 144.3° | 76.8° |
| C9 | C15 | C14 | H15 | 95.5° | 162.2° |
| C23 | N18 | C5 | C6 | 95.2° | 95.8° |
| C23 | N18 | C5 | C19 | 178.2° | 179.4° |
| C23 | N18 | C5 | C4 | 85.0° | 84.1° |
| C23 | N18 | C19 | C20 | 0.8° | 0.0° |
| C23 | N18 | C19 | O25 | 179.6° | 180.0° |
| C31 | C21 | C20 | C19 | 179.6° | 180.0° |
| C31 | C21 | C20 | H3 | 0.4° | 0.2° |
| F33 | C31 | C21 | C20 | 39.0° | 0.0° |
| C1 | C6 | C5 | N18 | 179.5° | 180.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C6 | C1 | C2 | C3 | 0.5° | 0.0° |
| C6 | C1 | C2 | H7 | 179.5° | 180.0° |
| C1 | C6 | C7 | H9 | 89.8° | 83.9° |
| C1 | C6 | C7 | H10 | 150.2° | 156.2° |
| C1 | C6 | C7 | H11 | 30.2° | 36.1° |
| C5 | C6 | C1 | C2 | 0.8° | 0.0° |
| C6 | C5 | N18 | C4 | 179.8° | 179.9° |
| C6 | C5 | N18 | C19 | 83.0° | 83.6° |
| C6 | C5 | C4 | C3 | 0.6° | 0.0° |
| C6 | C5 | C4 | S27 | 178.9° | 179.9° |
| C5 | C6 | C7 | H9 | 89.7° | 96.1° |
| C5 | C6 | C7 | H10 | 30.2° | 23.9° |
| C5 | C6 | C7 | H11 | 150.2° | 143.9° |
| C21 | C20 | C19 | N18 | 0.3° | 0.3° |
| C21 | C20 | C19 | H3 | 180.0° | 179.7° |
| C21 | C20 | C19 | O25 | 179.9° | 179.7° |
| C1 | C2 | C3 | H7 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.1° |
| C1 | C2 | C3 | H8 | 179.7° | 180.0° |
| C5 | N18 | C19 | C20 | 179.1° | 179.4° |
| C5 | N18 | C19 | O25 | 1.3° | 0.6° |
| N18 | C5 | C4 | C3 | 179.7° | 179.9° |
| N18 | C5 | C4 | S27 | 1.4° | 0.0° |
| C19 | N18 | C5 | C4 | 96.7° | 96.5° |
| N18 | C19 | C20 | O25 | 179.6° | 180.0° |
| N18 | C19 | C20 | H3 | 179.7° | 180.0° |
| C15 | C14 | C13 | H14 | 119.9° | 119.5° |
| C15 | C14 | C13 | H15 | 119.9° | 119.5° |
| C15 | C14 | C13 | H1 | 177.6° | 176.8° |
| C15 | C14 | C13 | H2 | 62.3° | 56.7° |
| C15 | C14 | H14 | H15 | 120.2° | 121.0° |
| O17 | C15 | C14 | C13 | 156.5° | 137.3° |
| O17 | C15 | C14 | H14 | 36.6° | 103.2° |
| O17 | C15 | C14 | H15 | 83.6° | 17.9° |
| C5 | C4 | C3 | C2 | 0.8° | 0.1° |
| C5 | C4 | C3 | S27 | 178.4° | 179.9° |
| C5 | C4 | S27 | O29 | 83.9° | 49.7° |
| C5 | C4 | S27 | C30 | 40.4° | 66.4° |
| C5 | C4 | S27 | O28 | 166.9° | 177.6° |
| C5 | C4 | C3 | H8 | 179.2° | 180.0° |
| C14 | C13 | H1 | H2 | 120.1° | 120.1° |
| C14 | C13 | C12 | H12 | 60.2° | 173.9° |
| C14 | C13 | C12 | H13 | 179.7° | 67.0° |
| C13 | C14 | H14 | H15 | 120.2° | 120.9° |
| C2 | C3 | C4 | H8 | 180.0° | 179.9° |
| C2 | C3 | C4 | S27 | 179.2° | 180.0° |
| O25 | C19 | C20 | H3 | 0.1° | 0.0° |
| C3 | C4 | S27 | O29 | 94.5° | 130.2° |
| C3 | C4 | S27 | C30 | 141.2° | 113.7° |
| C3 | C4 | S27 | O28 | 14.7° | 2.4° |
| C4 | C3 | C2 | H7 | 179.7° | 179.9° |
| C4 | S27 | O29 | C30 | 126.8° | 111.7° |
| C4 | S27 | O29 | O28 | 116.2° | 116.8° |
| C4 | S27 | C30 | O28 | 126.5° | 111.7° |
| S27 | C4 | C3 | H8 | 0.8° | 0.1° |
| C4 | S27 | C30 | H16 | 180.0° | 61.3° |
| C4 | S27 | C30 | H17 | 60.0° | 178.8° |
| C4 | S27 | C30 | H18 | 60.0° | 58.8° |
| O29 | S27 | C30 | O28 | 110.3° | 136.7° |
| O29 | S27 | C30 | H16 | 56.8° | 173.0° |
| O29 | S27 | C30 | H17 | 63.2° | 67.1° |
| O29 | S27 | C30 | H18 | 176.8° | 52.9° |
| S27 | C30 | H16 | H17 | 120.0° | 120.0° |
| S27 | C30 | H16 | H18 | 120.0° | 120.0° |
| S27 | C30 | H17 | H18 | 120.0° | 120.0° |
| O28 | S27 | C30 | H16 | 53.5° | 50.4° |
| O28 | S27 | C30 | H17 | 173.5° | 69.6° |
| O28 | S27 | C30 | H18 | 66.5° | 170.4° |
| H1 | C13 | C12 | H12 | 59.7° | 66.3° |
| H1 | C13 | C12 | H13 | 59.8° | 52.9° |
| H1 | C13 | C14 | H14 | 62.5° | 63.6° |
| H1 | C13 | C14 | H15 | 57.7° | 57.3° |
| H2 | C13 | C12 | H12 | 179.8° | 53.9° |
| H2 | C13 | C12 | H13 | 60.3° | 173.1° |
| H2 | C13 | C14 | H14 | 57.6° | 176.2° |
| H2 | C13 | C14 | H15 | 177.8° | 62.8° |
| H4 | C26 | H5 | H6 | 120.0° | 120.0° |
| H7 | C2 | C3 | H8 | 0.3° | 0.0° |
| H9 | C7 | H10 | H11 | 120.0° | 120.0° |
| H16 | C30 | H17 | H18 | 120.0° | 120.0° |
