UU8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C28 | sing | 1.51Å | 1.54Å | |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| O5 | C4 | doub | 1.22Å | 1.23Å | |
| O22 | C23 | sing | 1.36Å | 1.36Å | |
| O22 | C21 | sing | 1.36Å | 1.37Å | |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| N20 | C19 | trip | 1.14Å | 1.14Å | |
| C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.43Å | 1.43Å | |
| C21 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C6 | sing | 1.42Å | 1.40Å | |
| C4 | N3 | sing | 1.35Å | 1.40Å | |
| C6 | C7 | doub | 1.35Å | 1.39Å | |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | N3 | sing | 1.40Å | 1.41Å | |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| O10 | S8 | doub | 1.42Å | 1.49Å | |
| C15 | F16 | sing | 1.35Å | 1.35Å | |
| N3 | C13 | sing | 1.35Å | 1.40Å | |
| C7 | S8 | sing | 1.76Å | 1.76Å | |
| C7 | N12 | sing | 1.37Å | 1.39Å | |
| S8 | O11 | doub | 1.42Å | 1.49Å | |
| S8 | C9 | sing | 1.76Å | 1.71Å | |
| C13 | N12 | sing | 1.34Å | 1.40Å | |
| C13 | O14 | doub | 1.22Å | 1.23Å | |
| C34 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| N12 | H2 | sing | 0.97Å | 1.00Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| C29 | H6 | sing | 1.09Å | 1.10Å | |
| C29 | H7 | sing | 1.09Å | 1.10Å | |
| C29 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.08Å | 1.08Å | |
| C25 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| C30 | H12 | sing | 1.08Å | 1.08Å | |
| C31 | H13 | sing | 1.08Å | 1.08Å | |
| C32 | H14 | sing | 1.08Å | 1.08Å | |
| C33 | H15 | sing | 1.08Å | 1.08Å | |
| C34 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C27 | 119.2° | 120.0° |
| C29 | C28 | C23 | 120.7° | 120.1° |
| C28 | C29 | H6 | 109.5° | 109.5° |
| C28 | C29 | H7 | 109.5° | 109.5° |
| C28 | C29 | H8 | 109.4° | 109.5° |
| C27 | C28 | C23 | 120.1° | 119.9° |
| C28 | C27 | C26 | 119.9° | 120.0° |
| C28 | C27 | H9 | 120.0° | 120.0° |
| C28 | C23 | O22 | 117.3° | 120.1° |
| C28 | C23 | C24 | 120.1° | 119.9° |
| O5 | C4 | C6 | 119.4° | 120.2° |
| O5 | C4 | N3 | 119.9° | 120.4° |
| C23 | O22 | C21 | 122.5° | 118.0° |
| O22 | C23 | C24 | 122.7° | 120.0° |
| O22 | C21 | C18 | 122.6° | 120.1° |
| O22 | C21 | C1 | 117.1° | 120.1° |
| C27 | C26 | C25 | 120.1° | 120.2° |
| C27 | C26 | H5 | 119.9° | 119.9° |
| C26 | C27 | H9 | 120.1° | 120.0° |
| N20 | C19 | C18 | 177.9° | 179.9° |
| C23 | C24 | C25 | 119.5° | 119.9° |
| C23 | C24 | H4 | 120.3° | 120.0° |
| C19 | C18 | C21 | 120.4° | 120.1° |
| C19 | C18 | C17 | 119.5° | 120.1° |
| C18 | C21 | C1 | 120.3° | 119.8° |
| C21 | C18 | C17 | 120.0° | 119.8° |
| C21 | C1 | C2 | 120.1° | 120.0° |
| C21 | C1 | H11 | 119.9° | 119.9° |
| C18 | C17 | C15 | 119.3° | 119.9° |
| C18 | C17 | H3 | 120.4° | 120.1° |
| C1 | C2 | C15 | 119.5° | 120.3° |
| C1 | C2 | N3 | 121.0° | 119.9° |
| C2 | C1 | H11 | 119.9° | 120.0° |
| C6 | C4 | N3 | 120.7° | 119.4° |
| C4 | C6 | C7 | 119.3° | 119.1° |
| C4 | C6 | H1 | 120.3° | 120.4° |
| C4 | N3 | C2 | 119.7° | 119.8° |
| C4 | N3 | C13 | 119.6° | 120.3° |
| C6 | C7 | S8 | 121.6° | 120.1° |
| C6 | C7 | N12 | 120.5° | 119.7° |
| C7 | C6 | H1 | 120.3° | 120.5° |
| C26 | C25 | C24 | 120.4° | 120.1° |
| C25 | C26 | H5 | 119.9° | 119.9° |
| C26 | C25 | H10 | 119.8° | 120.0° |
| C17 | C15 | C2 | 120.7° | 120.2° |
| C17 | C15 | F16 | 119.4° | 119.9° |
| C15 | C17 | H3 | 120.4° | 120.0° |
| C15 | C2 | N3 | 119.4° | 119.9° |
| C2 | C15 | F16 | 119.9° | 119.9° |
| C2 | N3 | C13 | 120.6° | 119.9° |
| C25 | C24 | H4 | 120.3° | 120.1° |
| C24 | C25 | H10 | 119.8° | 119.9° |
| O10 | S8 | C7 | 106.9° | 106.4° |
| O10 | S8 | O11 | 116.5° | 123.1° |
| O10 | S8 | C9 | 111.8° | 106.4° |
| N3 | C13 | N12 | 119.8° | 120.9° |
| N3 | C13 | O14 | 120.0° | 119.5° |
| S8 | C7 | N12 | 117.8° | 120.2° |
| C7 | S8 | O11 | 106.4° | 106.4° |
| C7 | S8 | C9 | 103.2° | 107.2° |
| C7 | N12 | C13 | 120.1° | 120.6° |
| C7 | N12 | H2 | 119.9° | 119.7° |
| O11 | S8 | C9 | 111.0° | 106.4° |
| S8 | C9 | C34 | 119.0° | 120.0° |
| S8 | C9 | C30 | 119.8° | 120.0° |
| N12 | C13 | O14 | 120.2° | 119.6° |
| C13 | N12 | H2 | 120.0° | 119.7° |
| C9 | C34 | C33 | 119.3° | 120.0° |
| C34 | C9 | C30 | 121.1° | 120.0° |
| C9 | C34 | H16 | 120.3° | 120.0° |
| C34 | C33 | C32 | 120.3° | 120.0° |
| C34 | C33 | H15 | 119.8° | 120.0° |
| C33 | C34 | H16 | 120.3° | 120.0° |
| C9 | C30 | C31 | 118.9° | 120.0° |
| C9 | C30 | H12 | 120.6° | 120.0° |
| C33 | C32 | C31 | 119.6° | 120.0° |
| C33 | C32 | H14 | 120.2° | 120.0° |
| C32 | C33 | H15 | 119.9° | 120.0° |
| C30 | C31 | C32 | 120.8° | 120.0° |
| C31 | C30 | H12 | 120.6° | 120.0° |
| C30 | C31 | H13 | 119.6° | 120.0° |
| C32 | C31 | H13 | 119.6° | 120.0° |
| C31 | C32 | H14 | 120.2° | 120.1° |
| H6 | C29 | H7 | 109.5° | 109.5° |
| H6 | C29 | H8 | 109.5° | 109.4° |
| H7 | C29 | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C27 | C23 | 180.0° | 179.2° |
| C29 | C28 | C23 | O22 | 0.1° | 0.4° |
| C29 | C28 | C27 | C26 | 180.0° | 180.0° |
| C29 | C28 | C23 | C24 | 179.8° | 179.7° |
| C28 | C29 | H6 | H7 | 120.0° | 120.0° |
| C28 | C29 | H6 | H8 | 120.0° | 120.0° |
| C28 | C29 | H7 | H8 | 120.0° | 120.0° |
| C29 | C28 | C27 | H9 | 0.0° | 0.8° |
| C27 | C28 | C23 | O22 | 179.9° | 179.5° |
| C28 | C27 | C26 | H9 | 180.0° | 179.2° |
| C27 | C28 | C23 | C24 | 0.2° | 0.6° |
| C28 | C27 | C26 | C25 | 0.0° | 0.5° |
| C28 | C27 | C26 | H5 | 180.0° | 179.5° |
| C27 | C28 | C29 | H6 | 90.0° | 90.0° |
| C27 | C28 | C29 | H7 | 150.0° | 149.9° |
| C27 | C28 | C29 | H8 | 30.0° | 30.0° |
| C28 | C23 | O22 | C24 | 179.9° | 179.9° |
| C28 | C23 | O22 | C21 | 169.2° | 174.3° |
| C23 | C28 | C27 | C26 | 0.1° | 0.8° |
| C28 | C23 | C24 | C25 | 0.3° | 0.0° |
| C28 | C23 | C24 | H4 | 179.7° | 179.7° |
| C23 | C28 | C29 | H6 | 90.0° | 90.8° |
| C23 | C28 | C29 | H7 | 30.0° | 29.2° |
| C23 | C28 | C29 | H8 | 150.0° | 149.2° |
| C23 | C28 | C27 | H9 | 179.9° | 179.9° |
| O5 | C4 | C6 | N3 | 179.7° | 179.9° |
| O5 | C4 | C6 | C7 | 180.0° | 180.0° |
| O5 | C4 | N3 | C2 | 1.8° | 0.2° |
| O5 | C4 | N3 | C13 | 179.1° | 180.0° |
| O5 | C4 | C6 | H1 | 0.0° | 0.0° |
| C23 | O22 | C21 | C18 | 74.7° | 81.5° |
| C23 | O22 | C21 | C1 | 107.5° | 98.7° |
| O22 | C23 | C24 | C25 | 179.8° | 179.9° |
| O22 | C23 | C24 | H4 | 0.2° | 0.3° |
| C21 | O22 | C23 | C24 | 10.9° | 5.7° |
| O22 | C21 | C18 | C19 | 2.0° | 0.0° |
| O22 | C21 | C18 | C1 | 177.8° | 179.8° |
| O22 | C21 | C18 | C17 | 178.4° | 180.0° |
| O22 | C21 | C1 | C2 | 179.1° | 179.9° |
| O22 | C21 | C1 | H11 | 0.9° | 0.2° |
| C27 | C26 | C25 | H5 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.2° | 0.1° |
| C27 | C26 | C25 | H10 | 179.8° | 180.0° |
| N20 | C19 | C18 | C21 | 3.3° | 69.4° |
| N20 | C19 | C18 | C17 | 177.1° | 110.5° |
| C23 | C24 | C25 | C26 | 0.3° | 0.3° |
| C23 | C24 | C25 | H4 | 180.0° | 179.7° |
| C23 | C24 | C25 | H10 | 179.7° | 179.8° |
| C19 | C18 | C21 | C17 | 179.6° | 180.0° |
| C19 | C18 | C21 | C1 | 179.8° | 179.8° |
| C19 | C18 | C17 | C15 | 179.8° | 180.0° |
| C19 | C18 | C17 | H3 | 0.1° | 0.0° |
| C18 | C21 | C1 | C2 | 1.2° | 0.2° |
| C21 | C18 | C17 | C15 | 0.2° | 0.1° |
| C21 | C18 | C17 | H3 | 179.8° | 180.0° |
| C18 | C21 | C1 | H11 | 178.8° | 180.0° |
| C1 | C21 | C18 | C17 | 0.6° | 0.2° |
| C21 | C1 | C2 | H11 | 180.0° | 179.8° |
| C21 | C1 | C2 | C15 | 1.4° | 0.0° |
| C21 | C1 | C2 | N3 | 179.3° | 180.0° |
| C18 | C17 | C15 | H3 | 180.0° | 180.0° |
| C18 | C17 | C15 | C2 | 0.5° | 0.3° |
| C18 | C17 | C15 | F16 | 179.6° | 180.0° |
| C1 | C2 | N3 | C4 | 65.1° | 89.8° |
| C1 | C2 | C15 | C17 | 1.1° | 0.3° |
| C1 | C2 | C15 | N3 | 177.9° | 180.0° |
| C1 | C2 | C15 | F16 | 179.9° | 179.9° |
| C1 | C2 | N3 | C13 | 117.7° | 90.0° |
| C4 | C6 | C7 | H1 | 180.0° | 180.0° |
| C6 | C4 | N3 | C2 | 178.5° | 179.7° |
| C6 | C4 | N3 | C13 | 1.2° | 0.1° |
| C4 | C6 | C7 | S8 | 179.1° | 180.0° |
| C4 | C6 | C7 | N12 | 0.4° | 0.0° |
| N3 | C4 | C6 | C7 | 0.4° | 0.0° |
| C4 | N3 | C2 | C15 | 112.8° | 90.2° |
| C4 | N3 | C2 | C13 | 177.3° | 179.8° |
| C4 | N3 | C13 | N12 | 1.2° | 0.1° |
| C4 | N3 | C13 | O14 | 179.3° | 180.0° |
| N3 | C4 | C6 | H1 | 179.6° | 180.0° |
| C6 | C7 | S8 | O10 | 1.0° | 136.4° |
| C6 | C7 | S8 | N12 | 178.7° | 180.0° |
| C6 | C7 | S8 | O11 | 124.1° | 3.5° |
| C6 | C7 | S8 | C9 | 119.0° | 110.0° |
| C6 | C7 | N12 | C13 | 0.4° | 0.0° |
| C6 | C7 | N12 | H2 | 179.6° | 180.0° |
| C26 | C25 | C24 | H10 | 180.0° | 179.9° |
| C26 | C25 | C24 | H4 | 179.7° | 180.0° |
| C25 | C26 | C27 | H9 | 179.9° | 179.7° |
| C17 | C15 | C2 | F16 | 179.1° | 179.7° |
| C17 | C15 | C2 | N3 | 179.0° | 179.7° |
| C15 | C2 | N3 | C13 | 64.4° | 90.0° |
| C2 | C15 | C17 | H3 | 179.5° | 179.7° |
| C15 | C2 | C1 | H11 | 178.6° | 179.8° |
| N3 | C2 | C15 | F16 | 1.9° | 0.0° |
| C2 | N3 | C13 | N12 | 178.5° | 179.7° |
| C2 | N3 | C13 | O14 | 2.0° | 0.2° |
| N3 | C2 | C1 | H11 | 0.7° | 0.2° |
| C24 | C25 | C26 | H5 | 179.8° | 179.9° |
| O10 | S8 | C7 | O11 | 125.1° | 132.9° |
| O10 | S8 | C7 | C9 | 118.0° | 113.5° |
| O10 | S8 | C7 | N12 | 177.7° | 43.5° |
| O10 | S8 | O11 | C9 | 129.4° | 122.9° |
| O10 | S8 | C9 | C34 | 35.3° | 156.2° |
| O10 | S8 | C9 | C30 | 148.0° | 23.6° |
| F16 | C15 | C17 | H3 | 0.4° | 0.1° |
| N3 | C13 | N12 | C7 | 0.4° | 0.0° |
| N3 | C13 | N12 | O14 | 179.5° | 180.0° |
| N3 | C13 | N12 | H2 | 179.6° | 180.0° |
| C7 | S8 | O11 | C9 | 111.6° | 114.1° |
| S8 | C7 | N12 | C13 | 179.2° | 180.0° |
| C7 | S8 | C9 | C34 | 79.2° | 90.3° |
| C7 | S8 | C9 | C30 | 97.5° | 89.9° |
| S8 | C7 | C6 | H1 | 0.9° | 0.0° |
| S8 | C7 | N12 | H2 | 0.8° | 0.0° |
| N12 | C7 | S8 | O11 | 57.1° | 176.4° |
| N12 | C7 | S8 | C9 | 59.8° | 70.0° |
| C7 | N12 | C13 | H2 | 180.0° | 180.0° |
| C7 | N12 | C13 | O14 | 180.0° | 180.0° |
| N12 | C7 | C6 | H1 | 179.6° | 180.0° |
| O11 | S8 | C9 | C34 | 167.2° | 23.3° |
| O11 | S8 | C9 | C30 | 16.1° | 156.5° |
| S8 | C9 | C34 | C30 | 176.7° | 179.8° |
| S8 | C9 | C34 | C33 | 178.1° | 179.7° |
| S8 | C9 | C30 | C31 | 177.9° | 180.0° |
| S8 | C9 | C30 | H12 | 2.2° | 0.1° |
| S8 | C9 | C34 | H16 | 1.9° | 0.1° |
| O14 | C13 | N12 | H2 | 0.1° | 0.0° |
| C9 | C34 | C33 | H16 | 180.0° | 179.8° |
| C9 | C34 | C33 | C32 | 0.8° | 0.5° |
| C34 | C9 | C30 | C31 | 1.2° | 0.2° |
| C34 | C9 | C30 | H12 | 178.9° | 179.7° |
| C9 | C34 | C33 | H15 | 179.2° | 179.7° |
| C33 | C34 | C9 | C30 | 1.4° | 0.5° |
| C34 | C33 | C32 | H15 | 180.0° | 179.8° |
| C34 | C33 | C32 | C31 | 0.0° | 0.2° |
| C34 | C33 | C32 | H14 | 180.0° | 179.7° |
| C9 | C30 | C31 | H12 | 180.0° | 179.9° |
| C9 | C30 | C31 | C32 | 0.4° | 0.1° |
| C9 | C30 | C31 | H13 | 179.6° | 180.0° |
| C30 | C9 | C34 | H16 | 178.7° | 179.7° |
| C33 | C32 | C31 | C30 | 0.2° | 0.1° |
| C33 | C32 | C31 | H14 | 180.0° | 179.9° |
| C33 | C32 | C31 | H13 | 179.8° | 180.0° |
| C32 | C33 | C34 | H16 | 179.2° | 179.7° |
| C30 | C31 | C32 | H13 | 180.0° | 179.9° |
| C30 | C31 | C32 | H14 | 179.9° | 180.0° |
| C32 | C31 | C30 | H12 | 179.6° | 180.0° |
| C31 | C32 | C33 | H15 | 180.0° | 180.0° |
| H4 | C24 | C25 | H10 | 0.3° | 0.1° |
| H5 | C26 | C27 | H9 | 0.0° | 0.3° |
| H5 | C26 | C25 | H10 | 0.2° | 0.0° |
| H6 | C29 | H7 | H8 | 120.0° | 119.9° |
| H12 | C30 | C31 | H13 | 0.3° | 0.1° |
| H13 | C31 | C32 | H14 | 0.2° | 0.1° |
| H14 | C32 | C33 | H15 | 0.1° | 0.1° |
| H15 | C33 | C34 | H16 | 0.8° | 0.0° |
