UV5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C21 | doub | 1.21Å | 1.23Å | |
| F25 | C24 | sing | 1.40Å | 1.35Å | |
| O30 | C6 | doub | 1.22Å | 1.27Å | |
| N20 | C21 | sing | 1.34Å | 1.37Å | |
| N20 | C19 | doub | 1.30Å | 1.37Å | |
| F27 | C24 | sing | 1.40Å | 1.34Å | |
| C21 | N16 | sing | 1.34Å | 1.40Å | |
| C24 | C19 | sing | 1.51Å | 1.51Å | |
| C24 | F26 | sing | 1.40Å | 1.30Å | |
| C2 | C28 | doub | 1.34Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.46Å | 1.39Å | Aromatic |
| C6 | C3 | sing | 1.47Å | 1.57Å | |
| C6 | N29 | sing | 1.35Å | 1.34Å | |
| C19 | C18 | sing | 1.52Å | 1.40Å | |
| C28 | N1 | sing | 1.37Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| N1 | C9 | sing | 1.37Å | 1.39Å | Aromatic |
| N1 | C5 | sing | 1.37Å | 1.40Å | Aromatic |
| N16 | C9 | sing | 1.39Å | 1.41Å | |
| N16 | C17 | sing | 1.35Å | 1.39Å | |
| C31 | N29 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | N7 | doub | 1.33Å | 1.35Å | Aromatic |
| C18 | C17 | sing | 1.52Å | 1.40Å | |
| C8 | N7 | sing | 1.34Å | 1.35Å | Aromatic |
| C8 | C10 | sing | 1.48Å | 1.39Å | |
| C15 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | O22 | doub | 1.21Å | 1.24Å | |
| C10 | N11 | sing | 1.33Å | 1.34Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| N11 | C12 | doub | 1.32Å | 1.32Å | Aromatic |
| C13 | C12 | 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 | |
| C28 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| N29 | H7 | sing | 0.97Å | 1.00Å | |
| C31 | H8 | sing | 1.09Å | 1.10Å | |
| C31 | H9 | sing | 1.09Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C21 | N20 | 119.0° | 117.6° |
| O23 | C21 | N16 | 121.0° | 117.6° |
| F25 | C24 | F27 | 112.3° | 109.5° |
| F25 | C24 | C19 | 107.5° | 109.5° |
| F25 | C24 | F26 | 110.2° | 109.5° |
| O30 | C6 | C3 | 120.8° | 120.0° |
| O30 | C6 | N29 | 124.0° | 120.0° |
| C21 | N20 | C19 | 120.4° | 122.9° |
| N20 | C21 | N16 | 120.0° | 124.8° |
| N20 | C19 | C24 | 113.9° | 121.0° |
| N20 | C19 | C18 | 121.1° | 118.0° |
| F27 | C24 | C19 | 106.3° | 109.5° |
| F27 | C24 | F26 | 109.7° | 109.4° |
| C21 | N16 | C9 | 119.0° | 119.4° |
| C21 | N16 | C17 | 120.0° | 121.2° |
| C19 | C24 | F26 | 110.8° | 109.5° |
| C24 | C19 | C18 | 125.0° | 121.0° |
| C28 | C2 | C3 | 121.3° | 119.6° |
| C2 | C28 | N1 | 119.7° | 121.0° |
| C2 | C28 | H4 | 120.1° | 119.5° |
| C28 | C2 | H11 | 119.3° | 120.2° |
| C2 | C3 | C6 | 119.6° | 120.6° |
| C2 | C3 | C4 | 118.4° | 118.7° |
| C3 | C2 | H11 | 119.4° | 120.2° |
| C3 | C6 | N29 | 114.5° | 120.0° |
| C6 | C3 | C4 | 121.9° | 120.6° |
| C6 | N29 | C31 | 116.3° | 120.0° |
| C6 | N29 | H7 | 121.8° | 120.0° |
| C19 | C18 | C17 | 118.7° | 116.2° |
| C19 | C18 | H12 | 107.1° | 108.1° |
| C19 | C18 | H13 | 107.1° | 108.0° |
| C28 | N1 | C9 | 132.9° | 131.4° |
| C28 | N1 | C5 | 120.7° | 121.3° |
| N1 | C28 | H4 | 120.2° | 119.4° |
| C3 | C4 | C5 | 121.2° | 119.2° |
| C3 | C4 | H1 | 119.4° | 120.4° |
| C9 | N1 | C5 | 106.4° | 107.3° |
| N1 | C9 | N16 | 120.9° | 126.6° |
| N1 | C9 | C8 | 108.4° | 106.8° |
| N1 | C5 | C4 | 118.7° | 120.2° |
| N1 | C5 | N7 | 107.1° | 108.6° |
| C9 | N16 | C17 | 120.8° | 119.4° |
| N16 | C9 | C8 | 130.8° | 126.6° |
| N16 | C17 | C18 | 119.7° | 116.9° |
| N16 | C17 | O22 | 117.3° | 121.6° |
| C31 | N29 | H7 | 121.9° | 120.0° |
| N29 | C31 | H8 | 109.5° | 109.5° |
| N29 | C31 | H9 | 109.5° | 109.5° |
| N29 | C31 | H10 | 109.5° | 109.5° |
| C4 | C5 | N7 | 134.2° | 131.2° |
| C5 | C4 | H1 | 119.4° | 120.4° |
| C9 | C8 | N7 | 107.3° | 108.0° |
| C9 | C8 | C10 | 121.8° | 126.0° |
| C5 | N7 | C8 | 110.7° | 109.3° |
| C18 | C17 | O22 | 123.0° | 121.5° |
| C17 | C18 | H12 | 107.1° | 108.2° |
| C17 | C18 | H13 | 107.1° | 108.1° |
| N7 | C8 | C10 | 130.7° | 126.0° |
| C8 | C10 | C15 | 120.3° | 119.8° |
| C8 | C10 | N11 | 119.9° | 119.8° |
| C10 | C15 | C14 | 120.4° | 119.1° |
| C15 | C10 | N11 | 119.6° | 120.5° |
| C10 | C15 | H3 | 119.8° | 120.4° |
| C15 | C14 | C13 | 118.3° | 118.5° |
| C14 | C15 | H3 | 119.8° | 120.5° |
| C15 | C14 | H5 | 120.9° | 120.7° |
| C10 | N11 | C12 | 121.4° | 121.6° |
| C14 | C13 | C12 | 119.3° | 119.4° |
| C14 | C13 | H2 | 120.4° | 120.3° |
| C13 | C14 | H5 | 120.9° | 120.8° |
| N11 | C12 | C13 | 121.0° | 120.9° |
| N11 | C12 | H6 | 119.5° | 119.5° |
| C12 | C13 | H2 | 120.3° | 120.3° |
| C13 | C12 | H6 | 119.5° | 119.6° |
| H8 | C31 | H9 | 109.5° | 109.4° |
| H8 | C31 | H10 | 109.5° | 109.5° |
| H9 | C31 | H10 | 109.4° | 109.4° |
| H12 | C18 | H13 | 109.5° | 108.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C21 | N20 | N16 | 179.9° | 180.0° |
| O23 | C21 | N20 | C19 | 179.3° | 179.7° |
| O23 | C21 | N16 | C9 | 3.1° | 0.0° |
| O23 | C21 | N16 | C17 | 178.7° | 180.0° |
| F25 | C24 | C19 | N20 | 59.5° | 120.0° |
| F25 | C24 | F27 | C19 | 117.3° | 120.1° |
| F25 | C24 | F27 | F26 | 122.9° | 120.0° |
| F25 | C24 | C19 | F26 | 120.5° | 120.0° |
| F25 | C24 | C19 | C18 | 121.9° | 60.0° |
| O30 | C6 | C3 | C2 | 50.6° | 179.7° |
| O30 | C6 | C3 | N29 | 171.4° | 180.0° |
| O30 | C6 | C3 | C4 | 126.4° | 0.0° |
| O30 | C6 | N29 | C31 | 6.7° | 0.0° |
| O30 | C6 | N29 | H7 | 173.3° | 180.0° |
| C21 | N20 | C19 | C24 | 179.3° | 179.7° |
| C21 | N20 | C19 | C18 | 0.7° | 0.3° |
| N20 | C21 | N16 | C9 | 176.9° | 180.0° |
| N20 | C21 | N16 | C17 | 1.3° | 0.0° |
| N20 | C19 | C24 | F27 | 61.0° | 120.0° |
| C19 | N20 | C21 | N16 | 0.8° | 0.3° |
| N20 | C19 | C24 | C18 | 178.6° | 180.0° |
| N20 | C19 | C24 | F26 | 179.9° | 0.0° |
| N20 | C19 | C18 | C17 | 1.1° | 0.0° |
| N20 | C19 | C18 | H12 | 120.2° | 121.8° |
| N20 | C19 | C18 | H13 | 122.4° | 121.6° |
| F27 | C24 | C19 | F26 | 119.1° | 119.9° |
| F27 | C24 | C19 | C18 | 117.6° | 60.0° |
| C21 | N16 | C9 | N1 | 90.3° | 93.1° |
| C21 | N16 | C9 | C17 | 175.5° | 180.0° |
| C21 | N16 | C9 | C8 | 90.4° | 86.9° |
| C21 | N16 | C17 | C18 | 1.8° | 0.2° |
| C21 | N16 | C17 | O22 | 179.5° | 180.0° |
| C24 | C19 | C18 | C17 | 179.6° | 180.0° |
| C24 | C19 | C18 | H12 | 58.3° | 58.2° |
| C24 | C19 | C18 | H13 | 59.1° | 58.4° |
| F26 | C24 | C19 | C18 | 1.4° | 180.0° |
| C28 | C2 | C3 | H11 | 180.0° | 180.0° |
| C28 | C2 | C3 | C6 | 177.4° | 180.0° |
| C2 | C28 | N1 | H4 | 180.0° | 179.9° |
| C28 | C2 | C3 | C4 | 0.3° | 0.3° |
| C2 | C28 | N1 | C9 | 179.3° | 179.9° |
| C2 | C28 | N1 | C5 | 1.3° | 0.2° |
| C2 | C3 | C6 | C4 | 177.0° | 179.7° |
| C2 | C3 | C6 | N29 | 138.1° | 0.3° |
| C3 | C2 | C28 | N1 | 0.7° | 0.0° |
| C2 | C3 | C4 | C5 | 0.8° | 0.3° |
| C2 | C3 | C4 | H1 | 179.2° | 179.7° |
| C3 | C2 | C28 | H4 | 179.3° | 180.0° |
| C3 | C6 | N29 | C31 | 177.8° | 180.0° |
| C6 | C3 | C4 | C5 | 177.8° | 180.0° |
| C6 | C3 | C4 | H1 | 2.1° | 0.0° |
| C3 | C6 | N29 | H7 | 2.2° | 0.1° |
| C6 | C3 | C2 | H11 | 2.5° | 0.0° |
| N29 | C6 | C3 | C4 | 44.9° | 180.0° |
| C6 | N29 | C31 | H7 | 180.0° | 179.9° |
| C6 | N29 | C31 | H8 | 180.0° | 60.0° |
| C6 | N29 | C31 | H9 | 60.0° | 60.0° |
| C6 | N29 | C31 | H10 | 60.0° | 180.0° |
| C19 | C18 | C17 | N16 | 1.6° | 0.3° |
| C19 | C18 | C17 | H12 | 121.3° | 121.8° |
| C19 | C18 | C17 | H13 | 121.3° | 121.5° |
| C19 | C18 | C17 | O22 | 179.7° | 180.0° |
| C19 | C18 | H12 | H13 | 115.8° | 116.6° |
| C28 | N1 | C9 | C5 | 178.2° | 179.7° |
| C28 | N1 | C9 | N16 | 0.9° | 0.2° |
| C28 | N1 | C5 | C4 | 0.8° | 0.2° |
| C28 | N1 | C9 | C8 | 179.7° | 179.8° |
| C28 | N1 | C5 | N7 | 179.1° | 179.7° |
| N1 | C28 | C2 | H11 | 179.3° | 179.9° |
| C3 | C4 | C5 | N1 | 0.2° | 0.0° |
| C3 | C4 | C5 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | N7 | 179.8° | 180.0° |
| C4 | C3 | C2 | H11 | 179.6° | 179.7° |
| N1 | C9 | N16 | C8 | 179.3° | 180.0° |
| N1 | C9 | N16 | C17 | 85.3° | 86.9° |
| C9 | N1 | C5 | C4 | 179.3° | 180.0° |
| C9 | N1 | C5 | N7 | 0.7° | 0.0° |
| N1 | C9 | C8 | N7 | 1.8° | 0.0° |
| N1 | C9 | C8 | C10 | 177.8° | 180.0° |
| C9 | N1 | C28 | H4 | 0.7° | 0.0° |
| C5 | N1 | C9 | N16 | 179.0° | 180.0° |
| N1 | C5 | C4 | N7 | 179.9° | 180.0° |
| C5 | N1 | C9 | C8 | 1.5° | 0.0° |
| N1 | C5 | N7 | C8 | 0.4° | 0.1° |
| N1 | C5 | C4 | H1 | 179.7° | 180.0° |
| C5 | N1 | C28 | H4 | 178.7° | 179.7° |
| C9 | N16 | C17 | C18 | 177.3° | 179.7° |
| N16 | C9 | C8 | N7 | 178.8° | 179.9° |
| N16 | C9 | C8 | C10 | 2.8° | 0.0° |
| C9 | N16 | C17 | O22 | 4.0° | 0.0° |
| C17 | N16 | C9 | C8 | 94.0° | 93.2° |
| N16 | C17 | C18 | O22 | 178.7° | 179.7° |
| N16 | C17 | C18 | H12 | 119.7° | 122.0° |
| N16 | C17 | C18 | H13 | 122.9° | 121.3° |
| N29 | C31 | H8 | H9 | 120.0° | 120.0° |
| N29 | C31 | H8 | H10 | 120.0° | 120.0° |
| N29 | C31 | H9 | H10 | 120.0° | 120.0° |
| C4 | C5 | N7 | C8 | 179.6° | 180.0° |
| C9 | C8 | N7 | C5 | 1.4° | 0.1° |
| C9 | C8 | N7 | C10 | 175.6° | 179.9° |
| C9 | C8 | C10 | C15 | 2.2° | 154.4° |
| C9 | C8 | C10 | N11 | 173.3° | 25.9° |
| C5 | N7 | C8 | C10 | 176.9° | 180.0° |
| N7 | C5 | C4 | H1 | 0.2° | 0.0° |
| C17 | C18 | H12 | H13 | 115.8° | 116.8° |
| N7 | C8 | C10 | C15 | 177.2° | 25.5° |
| N7 | C8 | C10 | N11 | 1.7° | 154.2° |
| C8 | C10 | C15 | N11 | 175.5° | 179.7° |
| C8 | C10 | C15 | C14 | 177.4° | 179.9° |
| C8 | C10 | N11 | C12 | 178.3° | 179.9° |
| C8 | C10 | C15 | H3 | 2.6° | 0.0° |
| C10 | C15 | C14 | H3 | 180.0° | 180.0° |
| C10 | C15 | C14 | C13 | 0.1° | 0.0° |
| C15 | C10 | N11 | C12 | 2.8° | 0.3° |
| C10 | C15 | C14 | H5 | 179.9° | 180.0° |
| C14 | C15 | C10 | N11 | 1.9° | 0.2° |
| C15 | C14 | C13 | H5 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.7° | 0.3° |
| C15 | C14 | C13 | H2 | 179.3° | 180.0° |
| O22 | C17 | C18 | H12 | 59.0° | 58.2° |
| O22 | C17 | C18 | H13 | 58.4° | 58.5° |
| C10 | N11 | C12 | C13 | 2.0° | 0.0° |
| N11 | C10 | C15 | H3 | 178.1° | 179.7° |
| C10 | N11 | C12 | H6 | 178.0° | 180.0° |
| C14 | C13 | C12 | N11 | 0.1° | 0.3° |
| C14 | C13 | C12 | H2 | 180.0° | 179.7° |
| C13 | C14 | C15 | H3 | 179.9° | 180.0° |
| C14 | C13 | C12 | H6 | 179.9° | 179.8° |
| N11 | C12 | C13 | H6 | 180.0° | 179.9° |
| N11 | C12 | C13 | H2 | 179.9° | 180.0° |
| C12 | C13 | C14 | H5 | 179.3° | 179.7° |
| H2 | C13 | C14 | H5 | 0.7° | 0.1° |
| H2 | C13 | C12 | H6 | 0.1° | 0.1° |
| H3 | C15 | C14 | H5 | 0.2° | 0.0° |
| H4 | C28 | C2 | H11 | 0.7° | 0.0° |
| H7 | N29 | C31 | H8 | 0.0° | 120.0° |
| H7 | N29 | C31 | H9 | 120.0° | 120.0° |
| H7 | N29 | C31 | H10 | 120.0° | 0.0° |
| H8 | C31 | H9 | H10 | 120.0° | 120.0° |
