UU2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C22 | doub | 1.22Å | 1.22Å | |
| O7 | C6 | sing | 1.36Å | 1.37Å | |
| O7 | C10 | sing | 1.36Å | 1.37Å | |
| N34 | C33 | trip | 1.14Å | 1.14Å | |
| C33 | C5 | sing | 1.43Å | 1.42Å | |
| C16 | C11 | sing | 1.51Å | 1.54Å | |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.42Å | 1.39Å | |
| C22 | N9 | sing | 1.35Å | 1.41Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.35Å | 1.40Å | |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | N9 | sing | 1.40Å | 1.42Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | F8 | sing | 1.35Å | 1.35Å | |
| F27 | C24 | sing | 1.40Å | 1.36Å | |
| N9 | C17 | sing | 1.35Å | 1.39Å | |
| C20 | C24 | sing | 1.51Å | 1.55Å | |
| C20 | N18 | sing | 1.37Å | 1.40Å | |
| C24 | C26 | sing | 1.51Å | 1.51Å | |
| C24 | F25 | sing | 1.40Å | 1.35Å | |
| C32 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | N18 | sing | 1.35Å | 1.42Å | |
| C17 | O19 | doub | 1.22Å | 1.23Å | |
| C26 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C28 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| N18 | H12 | sing | 0.97Å | 1.00Å | |
| C29 | H13 | sing | 1.08Å | 1.08Å | |
| C30 | H14 | sing | 1.08Å | 1.08Å | |
| C31 | H15 | sing | 1.08Å | 1.08Å | |
| C32 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C22 | C21 | 118.1° | 120.3° |
| O23 | C22 | N9 | 119.8° | 120.4° |
| C6 | O7 | C10 | 117.7° | 118.0° |
| O7 | C6 | C5 | 120.4° | 120.1° |
| O7 | C6 | C1 | 120.2° | 120.1° |
| O7 | C10 | C11 | 120.9° | 120.0° |
| O7 | C10 | C15 | 119.4° | 120.1° |
| N34 | C33 | C5 | 177.9° | 180.0° |
| C33 | C5 | C6 | 120.8° | 120.1° |
| C33 | C5 | C4 | 118.6° | 120.1° |
| C16 | C11 | C10 | 121.5° | 120.0° |
| C16 | C11 | C12 | 118.9° | 120.0° |
| C11 | C16 | H6 | 109.5° | 109.4° |
| C11 | C16 | H7 | 109.5° | 109.5° |
| C11 | C16 | H8 | 109.5° | 109.5° |
| C5 | C6 | C1 | 119.4° | 119.8° |
| C6 | C5 | C4 | 120.6° | 119.8° |
| C6 | C1 | C2 | 120.4° | 120.1° |
| C6 | C1 | H11 | 119.8° | 119.9° |
| C11 | C10 | C15 | 119.7° | 119.9° |
| C10 | C11 | C12 | 119.6° | 119.9° |
| C10 | C15 | C14 | 120.6° | 120.0° |
| C10 | C15 | H3 | 119.7° | 120.0° |
| C5 | C4 | C3 | 119.3° | 119.9° |
| C5 | C4 | H1 | 120.3° | 120.0° |
| C1 | C2 | C3 | 119.8° | 120.2° |
| C1 | C2 | N9 | 122.2° | 119.9° |
| C2 | C1 | H11 | 119.8° | 120.0° |
| C11 | C12 | C13 | 120.3° | 120.1° |
| C11 | C12 | H9 | 119.8° | 119.9° |
| C21 | C22 | N9 | 122.1° | 119.3° |
| C22 | C21 | C20 | 120.1° | 119.2° |
| C22 | C21 | H4 | 120.0° | 120.4° |
| C22 | N9 | C2 | 121.1° | 119.8° |
| C22 | N9 | C17 | 118.3° | 120.3° |
| C15 | C14 | C13 | 119.5° | 120.0° |
| C14 | C15 | H3 | 119.7° | 120.0° |
| C15 | C14 | H10 | 120.2° | 120.0° |
| C21 | C20 | C24 | 120.7° | 120.2° |
| C21 | C20 | N18 | 118.3° | 119.7° |
| C20 | C21 | H4 | 120.0° | 120.4° |
| C4 | C3 | C2 | 120.5° | 120.2° |
| C4 | C3 | F8 | 119.9° | 119.9° |
| C3 | C4 | H1 | 120.3° | 120.0° |
| C3 | C2 | N9 | 118.0° | 119.9° |
| C2 | C3 | F8 | 119.6° | 119.9° |
| C2 | N9 | C17 | 120.5° | 119.9° |
| C12 | C13 | C14 | 120.2° | 120.1° |
| C12 | C13 | H2 | 119.9° | 119.9° |
| C13 | C12 | H9 | 119.8° | 120.0° |
| C14 | C13 | H2 | 119.9° | 120.0° |
| C13 | C14 | H10 | 120.2° | 120.0° |
| F27 | C24 | C20 | 109.4° | 109.5° |
| F27 | C24 | C26 | 107.9° | 109.5° |
| F27 | C24 | F25 | 117.2° | 109.5° |
| N9 | C17 | N18 | 119.8° | 120.9° |
| N9 | C17 | O19 | 118.3° | 119.6° |
| C24 | C20 | N18 | 120.9° | 120.1° |
| C20 | C24 | C26 | 107.9° | 109.4° |
| C20 | C24 | F25 | 108.3° | 109.5° |
| C20 | N18 | C17 | 121.3° | 120.6° |
| C20 | N18 | H12 | 119.4° | 119.7° |
| C26 | C24 | F25 | 105.7° | 109.5° |
| C24 | C26 | C32 | 119.9° | 120.0° |
| C24 | C26 | C28 | 119.5° | 120.0° |
| C26 | C32 | C31 | 120.6° | 120.0° |
| C32 | C26 | C28 | 120.6° | 120.0° |
| C26 | C32 | H16 | 119.7° | 120.0° |
| C32 | C31 | C30 | 119.3° | 120.0° |
| C32 | C31 | H15 | 120.3° | 120.0° |
| C31 | C32 | H16 | 119.7° | 120.0° |
| N18 | C17 | O19 | 121.8° | 119.5° |
| C17 | N18 | H12 | 119.3° | 119.6° |
| C26 | C28 | C29 | 118.4° | 120.0° |
| C26 | C28 | H5 | 120.8° | 120.1° |
| C31 | C30 | C29 | 119.8° | 120.0° |
| C31 | C30 | H14 | 120.1° | 120.0° |
| C30 | C31 | H15 | 120.4° | 120.0° |
| C28 | C29 | C30 | 121.4° | 120.0° |
| C29 | C28 | H5 | 120.8° | 119.9° |
| C28 | C29 | H13 | 119.3° | 120.0° |
| C30 | C29 | H13 | 119.3° | 120.0° |
| C29 | C30 | H14 | 120.1° | 120.0° |
| H6 | C16 | H7 | 109.5° | 109.5° |
| H6 | C16 | H8 | 109.5° | 109.5° |
| H7 | C16 | H8 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C22 | C21 | N9 | 179.3° | 179.2° |
| O23 | C22 | C21 | C20 | 179.8° | 179.9° |
| O23 | C22 | N9 | C2 | 2.3° | 0.3° |
| O23 | C22 | N9 | C17 | 179.8° | 179.7° |
| O23 | C22 | C21 | H4 | 0.2° | 0.6° |
| O7 | C6 | C5 | C33 | 2.6° | 0.0° |
| O7 | C6 | C5 | C1 | 177.9° | 179.9° |
| C6 | O7 | C10 | C11 | 94.4° | 174.6° |
| C6 | O7 | C10 | C15 | 87.1° | 5.7° |
| O7 | C6 | C5 | C4 | 179.4° | 180.0° |
| O7 | C6 | C1 | C2 | 179.4° | 180.0° |
| O7 | C6 | C1 | H11 | 0.6° | 0.0° |
| O7 | C10 | C11 | C16 | 1.1° | 0.3° |
| C10 | O7 | C6 | C5 | 92.5° | 81.4° |
| C10 | O7 | C6 | C1 | 89.5° | 98.7° |
| O7 | C10 | C11 | C15 | 178.5° | 179.7° |
| O7 | C10 | C11 | C12 | 179.2° | 179.7° |
| O7 | C10 | C15 | C14 | 179.4° | 179.7° |
| O7 | C10 | C15 | H3 | 0.6° | 0.3° |
| N34 | C33 | C5 | C6 | 49.1° | 138.0° |
| N34 | C33 | C5 | C4 | 132.9° | 42.0° |
| C33 | C5 | C6 | C4 | 178.0° | 180.0° |
| C33 | C5 | C6 | C1 | 179.4° | 179.9° |
| C33 | C5 | C4 | C3 | 179.0° | 180.0° |
| C33 | C5 | C4 | H1 | 1.0° | 0.3° |
| C16 | C11 | C10 | C12 | 179.6° | 180.0° |
| C16 | C11 | C10 | C15 | 179.6° | 180.0° |
| C16 | C11 | C12 | C13 | 179.9° | 179.9° |
| C11 | C16 | H6 | H7 | 120.0° | 120.0° |
| C11 | C16 | H6 | H8 | 120.0° | 120.0° |
| C11 | C16 | H7 | H8 | 120.0° | 120.0° |
| C16 | C11 | C12 | H9 | 0.2° | 0.0° |
| C5 | C6 | C1 | C2 | 1.4° | 0.1° |
| C6 | C5 | C4 | C3 | 1.0° | 0.0° |
| C6 | C5 | C4 | H1 | 179.0° | 179.7° |
| C5 | C6 | C1 | H11 | 178.6° | 179.9° |
| C1 | C6 | C5 | C4 | 1.4° | 0.1° |
| C6 | C1 | C2 | H11 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.9° | 0.0° |
| C6 | C1 | C2 | N9 | 179.5° | 179.9° |
| C11 | C10 | C15 | C14 | 0.9° | 0.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C11 | C10 | C15 | H3 | 179.1° | 180.0° |
| C10 | C11 | C16 | H6 | 90.2° | 90.0° |
| C10 | C11 | C16 | H7 | 149.8° | 150.0° |
| C10 | C11 | C16 | H8 | 29.8° | 30.0° |
| C10 | C11 | C12 | H9 | 179.8° | 180.0° |
| C15 | C10 | C11 | C12 | 0.8° | 0.0° |
| C10 | C15 | C14 | H3 | 180.0° | 180.0° |
| C10 | C15 | C14 | C13 | 0.5° | 0.0° |
| C10 | C15 | C14 | H10 | 179.5° | 180.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 0.5° | 0.0° |
| C5 | C4 | C3 | F8 | 179.8° | 179.7° |
| C1 | C2 | N9 | C22 | 80.3° | 90.1° |
| C1 | C2 | C3 | C4 | 0.5° | 0.0° |
| C1 | C2 | C3 | N9 | 178.7° | 179.9° |
| C1 | C2 | C3 | F8 | 179.8° | 179.8° |
| C1 | C2 | N9 | C17 | 102.3° | 90.0° |
| C11 | C12 | C13 | H9 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.2° | 0.1° |
| C11 | C12 | C13 | H2 | 179.9° | 180.0° |
| C12 | C11 | C16 | H6 | 90.2° | 90.0° |
| C12 | C11 | C16 | H7 | 29.9° | 30.0° |
| C12 | C11 | C16 | H8 | 149.8° | 150.0° |
| C22 | C21 | C20 | H4 | 180.0° | 179.5° |
| C21 | C22 | N9 | C2 | 178.4° | 179.4° |
| C21 | C22 | N9 | C17 | 0.9° | 0.5° |
| C22 | C21 | C20 | C24 | 179.5° | 179.5° |
| C22 | C21 | C20 | N18 | 0.2° | 0.5° |
| N9 | C22 | C21 | C20 | 0.5° | 0.8° |
| C22 | N9 | C2 | C3 | 98.4° | 90.0° |
| C22 | N9 | C2 | C17 | 177.4° | 180.0° |
| C22 | N9 | C17 | N18 | 1.2° | 0.0° |
| C22 | N9 | C17 | O19 | 179.7° | 179.7° |
| N9 | C22 | C21 | H4 | 179.5° | 179.8° |
| C15 | C14 | C13 | C12 | 0.0° | 0.1° |
| C15 | C14 | C13 | H10 | 180.0° | 179.9° |
| C15 | C14 | C13 | H2 | 180.0° | 180.0° |
| C21 | C20 | C24 | F27 | 11.7° | 120.0° |
| C21 | C20 | C24 | N18 | 179.7° | 180.0° |
| C21 | C20 | C24 | C26 | 105.5° | 0.0° |
| C21 | C20 | C24 | F25 | 140.5° | 120.0° |
| C21 | C20 | N18 | C17 | 0.5° | 0.0° |
| C21 | C20 | N18 | H12 | 179.5° | 179.9° |
| C4 | C3 | C2 | F8 | 179.7° | 179.7° |
| C4 | C3 | C2 | N9 | 179.1° | 179.9° |
| C3 | C2 | N9 | C17 | 79.1° | 89.9° |
| C2 | C3 | C4 | H1 | 179.5° | 179.7° |
| C3 | C2 | C1 | H11 | 179.0° | 180.0° |
| N9 | C2 | C3 | F8 | 1.1° | 0.4° |
| C2 | N9 | C17 | N18 | 178.7° | 180.0° |
| C2 | N9 | C17 | O19 | 2.1° | 0.3° |
| N9 | C2 | C1 | H11 | 0.5° | 0.1° |
| C12 | C13 | C14 | H2 | 180.0° | 179.9° |
| C12 | C13 | C14 | H10 | 180.0° | 180.0° |
| C13 | C14 | C15 | H3 | 179.5° | 179.9° |
| C14 | C13 | C12 | H9 | 179.8° | 180.0° |
| F8 | C3 | C4 | H1 | 0.3° | 0.0° |
| F27 | C24 | C20 | C26 | 117.2° | 120.0° |
| F27 | C24 | C20 | F25 | 128.8° | 120.0° |
| F27 | C24 | C20 | N18 | 168.5° | 60.1° |
| F27 | C24 | C26 | F25 | 126.1° | 120.0° |
| F27 | C24 | C26 | C32 | 38.0° | 29.7° |
| F27 | C24 | C26 | C28 | 143.1° | 150.0° |
| N9 | C17 | N18 | C20 | 1.0° | 0.3° |
| N9 | C17 | N18 | O19 | 179.1° | 179.7° |
| N9 | C17 | N18 | H12 | 179.0° | 179.7° |
| C20 | C24 | C26 | F25 | 115.8° | 120.0° |
| C20 | C24 | C26 | C32 | 80.1° | 90.3° |
| C24 | C20 | N18 | C17 | 179.2° | 179.9° |
| C20 | C24 | C26 | C28 | 98.8° | 90.0° |
| C24 | C20 | C21 | H4 | 0.5° | 0.1° |
| C24 | C20 | N18 | H12 | 0.8° | 0.1° |
| N18 | C20 | C24 | C26 | 74.3° | 180.0° |
| N18 | C20 | C24 | F25 | 39.8° | 60.0° |
| C20 | N18 | C17 | H12 | 180.0° | 180.0° |
| C20 | N18 | C17 | O19 | 179.9° | 180.0° |
| N18 | C20 | C21 | H4 | 179.7° | 180.0° |
| C24 | C26 | C32 | C28 | 178.9° | 179.7° |
| C24 | C26 | C32 | C31 | 178.5° | 179.7° |
| C24 | C26 | C28 | C29 | 178.7° | 180.0° |
| C24 | C26 | C28 | H5 | 1.3° | 0.0° |
| C24 | C26 | C32 | H16 | 1.5° | 0.0° |
| F25 | C24 | C26 | C32 | 164.2° | 149.7° |
| F25 | C24 | C26 | C28 | 17.0° | 30.0° |
| C26 | C32 | C31 | H16 | 180.0° | 179.7° |
| C26 | C32 | C31 | C30 | 0.1° | 0.6° |
| C32 | C26 | C28 | C29 | 0.2° | 0.3° |
| C32 | C26 | C28 | H5 | 179.8° | 179.8° |
| C26 | C32 | C31 | H15 | 179.9° | 179.7° |
| C31 | C32 | C26 | C28 | 0.4° | 0.6° |
| C32 | C31 | C30 | H15 | 180.0° | 179.7° |
| C32 | C31 | C30 | C29 | 0.4° | 0.4° |
| C32 | C31 | C30 | H14 | 179.6° | 179.7° |
| O19 | C17 | N18 | H12 | 0.1° | 0.0° |
| C26 | C28 | C29 | H5 | 180.0° | 179.9° |
| C26 | C28 | C29 | C30 | 0.4° | 0.1° |
| C26 | C28 | C29 | H13 | 179.7° | 180.0° |
| C28 | C26 | C32 | H16 | 179.6° | 179.7° |
| C31 | C30 | C29 | C28 | 0.7° | 0.1° |
| C31 | C30 | C29 | H14 | 180.0° | 179.9° |
| C31 | C30 | C29 | H13 | 179.4° | 180.0° |
| C30 | C31 | C32 | H16 | 179.9° | 179.7° |
| C28 | C29 | C30 | H13 | 180.0° | 179.9° |
| C28 | C29 | C30 | H14 | 179.4° | 180.0° |
| C30 | C29 | C28 | H5 | 179.6° | 180.0° |
| C29 | C30 | C31 | H15 | 179.6° | 180.0° |
| H2 | C13 | C12 | H9 | 0.2° | 0.0° |
| H2 | C13 | C14 | H10 | 0.0° | 0.0° |
| H3 | C15 | C14 | H10 | 0.6° | 0.0° |
| H5 | C28 | C29 | H13 | 0.3° | 0.1° |
| H6 | C16 | H7 | H8 | 120.0° | 120.0° |
| H13 | C29 | C30 | H14 | 0.6° | 0.1° |
| H14 | C30 | C31 | H15 | 0.4° | 0.1° |
| H15 | C31 | C32 | H16 | 0.1° | 0.1° |
