UO6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | S16 | doub | 1.42Å | 1.51Å | |
| O19 | S16 | doub | 1.42Å | 1.51Å | |
| S16 | O18 | sing | 1.52Å | 1.51Å | |
| S16 | C13 | sing | 1.76Å | 1.82Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| O21 | S20 | doub | 1.42Å | 1.51Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| O22 | S20 | doub | 1.42Å | 1.51Å | |
| C11 | S20 | sing | 1.76Å | 1.81Å | |
| C11 | C10 | doub | 1.40Å | 1.38Å | Aromatic |
| C15 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| S20 | O23 | sing | 1.52Å | 1.51Å | |
| C10 | N09 | sing | 1.37Å | 1.45Å | |
| N09 | N08 | doub | 1.29Å | 1.21Å | |
| N08 | C06 | sing | 1.37Å | 1.45Å | |
| O29 | P26 | doub | 1.48Å | 1.51Å | |
| C06 | N07 | doub | 1.33Å | 1.32Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.38Å | Aromatic |
| N07 | C02 | sing | 1.31Å | 1.32Å | Aromatic |
| C24 | C05 | sing | 1.51Å | 1.53Å | |
| C24 | O25 | sing | 1.43Å | 1.40Å | |
| C05 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C02 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| O28 | P26 | sing | 1.61Å | 1.51Å | |
| P26 | O25 | sing | 1.61Å | 1.65Å | |
| P26 | O27 | sing | 1.61Å | 1.51Å | |
| C04 | C03 | sing | 1.41Å | 1.38Å | Aromatic |
| C04 | C30 | sing | 1.47Å | 1.52Å | |
| C03 | O32 | sing | 1.36Å | 1.40Å | |
| C30 | O31 | doub | 1.21Å | 1.19Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C30 | H9 | sing | 1.08Å | 1.08Å | |
| O27 | H10 | sing | 0.97Å | 0.95Å | |
| O28 | H11 | sing | 0.97Å | 0.95Å | |
| O32 | H12 | sing | 0.97Å | 0.95Å | |
| O18 | H13 | sing | 0.97Å | 0.95Å | |
| O23 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | S16 | O19 | 111.4° | 123.2° |
| O17 | S16 | O18 | 101.0° | 106.4° |
| O17 | S16 | C13 | 111.4° | 106.4° |
| O19 | S16 | O18 | 111.3° | 106.4° |
| O19 | S16 | C13 | 110.3° | 106.4° |
| O18 | S16 | C13 | 111.2° | 107.2° |
| S16 | O18 | H13 | 109.5° | 114.0° |
| S16 | C13 | C12 | 120.0° | 119.8° |
| S16 | C13 | C14 | 119.9° | 119.8° |
| C12 | C13 | C14 | 120.0° | 120.4° |
| C13 | C12 | C11 | 119.9° | 120.2° |
| C13 | C12 | H4 | 120.0° | 120.0° |
| C13 | C14 | C15 | 120.1° | 120.2° |
| C13 | C14 | H5 | 120.0° | 119.9° |
| C12 | C11 | S20 | 120.2° | 120.1° |
| C12 | C11 | C10 | 120.1° | 119.8° |
| C11 | C12 | H4 | 120.1° | 119.9° |
| O21 | S20 | O22 | 101.4° | 123.1° |
| O21 | S20 | C11 | 111.2° | 106.4° |
| O21 | S20 | O23 | 111.1° | 106.5° |
| C14 | C15 | C10 | 119.8° | 119.8° |
| C15 | C14 | H5 | 120.0° | 119.9° |
| C14 | C15 | H6 | 120.1° | 120.1° |
| O22 | S20 | C11 | 111.3° | 106.4° |
| O22 | S20 | O23 | 111.5° | 106.4° |
| S20 | C11 | C10 | 119.7° | 120.1° |
| C11 | S20 | O23 | 110.0° | 107.2° |
| C11 | C10 | C15 | 120.1° | 119.7° |
| C11 | C10 | N09 | 119.8° | 120.2° |
| C15 | C10 | N09 | 120.1° | 120.2° |
| C10 | C15 | H6 | 120.1° | 120.1° |
| S20 | O23 | H14 | 109.5° | 114.0° |
| C10 | N09 | N08 | 120.1° | 120.0° |
| N09 | N08 | C06 | 119.5° | 120.0° |
| N08 | C06 | N07 | 118.9° | 119.6° |
| N08 | C06 | C05 | 119.3° | 119.6° |
| O29 | P26 | O28 | 109.3° | 109.5° |
| O29 | P26 | O25 | 109.7° | 109.5° |
| O29 | P26 | O27 | 109.4° | 109.5° |
| N07 | C06 | C05 | 121.8° | 120.8° |
| C06 | N07 | C02 | 121.2° | 122.1° |
| C06 | C05 | C24 | 120.7° | 120.5° |
| C06 | C05 | C04 | 118.4° | 118.9° |
| N07 | C02 | C01 | 119.8° | 119.5° |
| N07 | C02 | C03 | 120.4° | 121.0° |
| C05 | C24 | O25 | 108.2° | 109.5° |
| C24 | C05 | C04 | 120.9° | 120.6° |
| C05 | C24 | H7 | 109.8° | 109.5° |
| C05 | C24 | H8 | 109.8° | 109.4° |
| C24 | O25 | P26 | 118.7° | 123.0° |
| O25 | C24 | H7 | 109.8° | 109.4° |
| O25 | C24 | H8 | 109.8° | 109.4° |
| C05 | C04 | C03 | 118.3° | 118.2° |
| C05 | C04 | C30 | 121.2° | 121.0° |
| C01 | C02 | C03 | 119.8° | 119.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.4° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.4° |
| C02 | C03 | C04 | 119.8° | 119.0° |
| C02 | C03 | O32 | 120.2° | 120.4° |
| O28 | P26 | O25 | 109.5° | 109.5° |
| O28 | P26 | O27 | 109.3° | 109.5° |
| P26 | O28 | H11 | 109.5° | 114.0° |
| O25 | P26 | O27 | 109.5° | 109.5° |
| P26 | O27 | H10 | 109.5° | 114.0° |
| C03 | C04 | C30 | 120.5° | 120.9° |
| C04 | C03 | O32 | 119.9° | 120.5° |
| C04 | C30 | O31 | 119.7° | 120.0° |
| C04 | C30 | H9 | 120.2° | 120.0° |
| C03 | O32 | H12 | 109.5° | 114.1° |
| O31 | C30 | H9 | 120.1° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H7 | C24 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | S16 | O19 | O18 | 111.9° | 123.0° |
| O17 | S16 | O19 | C13 | 124.2° | 122.9° |
| O17 | S16 | O18 | C13 | 118.3° | 113.5° |
| O17 | S16 | C13 | C12 | 48.3° | 23.5° |
| O17 | S16 | C13 | C14 | 131.6° | 156.5° |
| O17 | S16 | O18 | H13 | 0.0° | 66.6° |
| O19 | S16 | O18 | C13 | 123.4° | 113.5° |
| O19 | S16 | C13 | C12 | 172.5° | 156.5° |
| O19 | S16 | C13 | C14 | 7.4° | 23.5° |
| O19 | S16 | O18 | H13 | 118.4° | 66.4° |
| O18 | S16 | C13 | C12 | 63.5° | 90.0° |
| O18 | S16 | C13 | C14 | 116.6° | 90.0° |
| S16 | C13 | C12 | C14 | 179.9° | 180.0° |
| S16 | C13 | C12 | C11 | 180.0° | 180.0° |
| S16 | C13 | C14 | C15 | 180.0° | 179.7° |
| S16 | C13 | C12 | H4 | 0.0° | 0.0° |
| S16 | C13 | C14 | H5 | 0.0° | 0.0° |
| C13 | S16 | O18 | H13 | 118.3° | 179.9° |
| C13 | C12 | C11 | H4 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.3° |
| C13 | C12 | C11 | S20 | 179.9° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C12 | C13 | C14 | H5 | 179.9° | 180.0° |
| C14 | C13 | C12 | C11 | 0.1° | 0.0° |
| C13 | C14 | C15 | H5 | 180.0° | 179.7° |
| C13 | C14 | C15 | C10 | 0.0° | 0.5° |
| C14 | C13 | C12 | H4 | 179.9° | 180.0° |
| C13 | C14 | C15 | H6 | 180.0° | 180.0° |
| C12 | C11 | S20 | O21 | 114.0° | 83.6° |
| C12 | C11 | S20 | O22 | 1.7° | 143.5° |
| C12 | C11 | S20 | C10 | 180.0° | 180.0° |
| C12 | C11 | C10 | C15 | 0.0° | 0.2° |
| C12 | C11 | S20 | O23 | 122.4° | 30.0° |
| C12 | C11 | C10 | N09 | 180.0° | 180.0° |
| O21 | S20 | O22 | C11 | 118.3° | 122.9° |
| O21 | S20 | O22 | O23 | 118.3° | 123.0° |
| O21 | S20 | C11 | O23 | 123.6° | 113.6° |
| O21 | S20 | C11 | C10 | 66.0° | 96.5° |
| O21 | S20 | O23 | H14 | 0.0° | 66.4° |
| C14 | C15 | C10 | C11 | 0.0° | 0.5° |
| C14 | C15 | C10 | H6 | 180.0° | 179.4° |
| C14 | C15 | C10 | N09 | 180.0° | 179.7° |
| O22 | S20 | C11 | O23 | 124.2° | 113.5° |
| O22 | S20 | C11 | C10 | 178.3° | 36.4° |
| O22 | S20 | O23 | H14 | 112.3° | 66.5° |
| S20 | C11 | C10 | C15 | 180.0° | 179.8° |
| S20 | C11 | C10 | N09 | 0.0° | 0.1° |
| S20 | C11 | C12 | H4 | 0.1° | 0.0° |
| C11 | S20 | O23 | H14 | 123.6° | 180.0° |
| C11 | C10 | C15 | N09 | 180.0° | 179.8° |
| C10 | C11 | S20 | O23 | 57.6° | 149.9° |
| C11 | C10 | N09 | N08 | 180.0° | 180.0° |
| C10 | C11 | C12 | H4 | 179.9° | 180.0° |
| C11 | C10 | C15 | H6 | 179.9° | 180.0° |
| C15 | C10 | N09 | N08 | 0.0° | 0.2° |
| C10 | C15 | C14 | H5 | 180.0° | 179.7° |
| C10 | N09 | N08 | C06 | 180.0° | 179.9° |
| N09 | C10 | C15 | H6 | 0.1° | 0.2° |
| N09 | N08 | C06 | N07 | 0.1° | 0.1° |
| N09 | N08 | C06 | C05 | 180.0° | 179.4° |
| N08 | C06 | N07 | C05 | 179.9° | 179.4° |
| N08 | C06 | N07 | C02 | 180.0° | 180.0° |
| N08 | C06 | C05 | C24 | 0.2° | 0.3° |
| N08 | C06 | C05 | C04 | 180.0° | 179.7° |
| O29 | P26 | O25 | C24 | 66.4° | 55.0° |
| O29 | P26 | O28 | O25 | 120.2° | 120.0° |
| O29 | P26 | O28 | O27 | 119.8° | 120.0° |
| O29 | P26 | O25 | O27 | 120.1° | 120.0° |
| O29 | P26 | O27 | H10 | 0.0° | 60.0° |
| O29 | P26 | O28 | H11 | 0.0° | 180.0° |
| N07 | C06 | C05 | C24 | 179.9° | 179.7° |
| N07 | C06 | C05 | C04 | 0.1° | 0.3° |
| C06 | N07 | C02 | C01 | 180.0° | 179.7° |
| C06 | N07 | C02 | C03 | 0.0° | 0.5° |
| C05 | C06 | N07 | C02 | 0.0° | 0.6° |
| C06 | C05 | C24 | C04 | 179.8° | 180.0° |
| C06 | C05 | C24 | O25 | 77.9° | 90.0° |
| C06 | C05 | C04 | C03 | 0.1° | 0.0° |
| C06 | C05 | C04 | C30 | 180.0° | 180.0° |
| C06 | C05 | C24 | H7 | 41.9° | 29.9° |
| C06 | C05 | C24 | H8 | 162.3° | 150.0° |
| N07 | C02 | C01 | C03 | 180.0° | 179.8° |
| N07 | C02 | C03 | C04 | 0.0° | 0.2° |
| N07 | C02 | C03 | O32 | 180.0° | 179.7° |
| N07 | C02 | C01 | H1 | 0.0° | 90.3° |
| N07 | C02 | C01 | H2 | 120.0° | 29.7° |
| N07 | C02 | C01 | H3 | 120.0° | 149.8° |
| C05 | C24 | O25 | H7 | 119.8° | 120.0° |
| C05 | C24 | O25 | H8 | 119.8° | 119.9° |
| C05 | C24 | O25 | P26 | 171.9° | 180.0° |
| C24 | C05 | C04 | C03 | 179.9° | 180.0° |
| C24 | C05 | C04 | C30 | 0.2° | 0.0° |
| C05 | C24 | H7 | H8 | 120.6° | 120.0° |
| O25 | C24 | C05 | C04 | 101.9° | 90.0° |
| C24 | O25 | P26 | O28 | 53.6° | 65.0° |
| C24 | O25 | P26 | O27 | 173.5° | 175.0° |
| O25 | C24 | H7 | H8 | 120.6° | 120.0° |
| C05 | C04 | C03 | C02 | 0.1° | 0.1° |
| C05 | C04 | C03 | C30 | 179.9° | 179.9° |
| C05 | C04 | C03 | O32 | 179.9° | 180.0° |
| C05 | C04 | C30 | O31 | 177.1° | 180.0° |
| C04 | C05 | C24 | H7 | 138.3° | 150.0° |
| C04 | C05 | C24 | H8 | 17.9° | 30.0° |
| C05 | C04 | C30 | H9 | 2.9° | 0.1° |
| C01 | C02 | C03 | C04 | 180.0° | 180.0° |
| C01 | C02 | C03 | O32 | 0.0° | 0.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 119.9° |
| C02 | C01 | H2 | H3 | 120.0° | 119.9° |
| C02 | C03 | C04 | O32 | 180.0° | 180.0° |
| C02 | C03 | C04 | C30 | 179.9° | 180.0° |
| C03 | C02 | C01 | H1 | 180.0° | 89.9° |
| C03 | C02 | C01 | H2 | 60.0° | 150.0° |
| C03 | C02 | C01 | H3 | 60.0° | 30.0° |
| C02 | C03 | O32 | H12 | 178.8° | 90.0° |
| O28 | P26 | O25 | O27 | 119.9° | 120.0° |
| O28 | P26 | O27 | H10 | 119.8° | 60.0° |
| P26 | O25 | C24 | H7 | 52.1° | 60.0° |
| P26 | O25 | C24 | H8 | 68.3° | 60.1° |
| O25 | P26 | O27 | H10 | 120.2° | 180.0° |
| O25 | P26 | O28 | H11 | 120.2° | 60.0° |
| O27 | P26 | O28 | H11 | 119.8° | 60.0° |
| C03 | C04 | C30 | O31 | 2.7° | 0.0° |
| C03 | C04 | C30 | H9 | 177.3° | 180.0° |
| C04 | C03 | O32 | H12 | 1.2° | 90.0° |
| C30 | C04 | C03 | O32 | 0.1° | 0.1° |
| C04 | C30 | O31 | H9 | 180.0° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H5 | C14 | C15 | H6 | 0.0° | 0.3° |
