U0X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C11 | sing | 1.43Å | 1.50Å | |
| C11 | C12 | sing | 1.53Å | 1.49Å | |
| C11 | C10 | sing | 1.53Å | 1.44Å | |
| O17 | C12 | sing | 1.43Å | 1.42Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| O19 | C10 | sing | 1.43Å | 1.45Å | |
| C10 | C09 | sing | 1.53Å | 1.47Å | |
| C15 | C13 | sing | 1.53Å | 1.43Å | |
| C15 | F16 | sing | 1.40Å | 1.37Å | |
| C13 | O14 | sing | 1.43Å | 1.52Å | |
| O14 | C09 | sing | 1.43Å | 1.45Å | |
| C09 | O08 | sing | 1.43Å | 1.44Å | |
| O08 | C06 | sing | 1.43Å | 1.37Å | |
| C06 | O07 | sing | 1.43Å | 1.53Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| C02 | O07 | sing | 1.43Å | 1.45Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C01 | F23 | sing | 1.40Å | 1.39Å | |
| O20 | C05 | sing | 1.43Å | 1.44Å | |
| C05 | C04 | sing | 1.53Å | 1.50Å | |
| C04 | C03 | sing | 1.53Å | 1.47Å | |
| C04 | O21 | sing | 1.43Å | 1.47Å | |
| C03 | O22 | sing | 1.43Å | 1.46Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| O17 | H15 | sing | 0.97Å | 0.95Å | |
| O18 | H16 | sing | 0.97Å | 0.95Å | |
| O19 | H17 | sing | 0.97Å | 0.95Å | |
| O20 | H18 | sing | 0.97Å | 0.95Å | |
| O21 | H19 | sing | 0.97Å | 0.95Å | |
| O22 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C11 | C12 | 118.0° | 109.5° |
| O18 | C11 | C10 | 112.9° | 109.5° |
| O18 | C11 | H13 | 102.0° | 109.6° |
| C11 | O18 | H16 | 109.5° | 114.0° |
| C12 | C11 | C10 | 116.3° | 109.1° |
| C11 | C12 | O17 | 115.7° | 109.6° |
| C11 | C12 | C13 | 114.5° | 109.2° |
| C12 | C11 | H13 | 101.9° | 109.5° |
| C11 | C12 | H14 | 105.3° | 109.5° |
| C11 | C10 | O19 | 118.0° | 109.6° |
| C11 | C10 | C09 | 120.7° | 109.2° |
| C11 | C10 | H1 | 103.3° | 109.5° |
| C10 | C11 | H13 | 102.4° | 109.6° |
| O17 | C12 | C13 | 109.6° | 109.5° |
| O17 | C12 | H14 | 106.1° | 109.6° |
| C12 | O17 | H15 | 109.5° | 114.0° |
| C12 | C13 | C15 | 110.7° | 109.5° |
| C12 | C13 | O14 | 107.7° | 109.4° |
| C12 | C13 | H2 | 108.3° | 109.4° |
| C13 | C12 | H14 | 104.6° | 109.5° |
| O19 | C10 | C09 | 106.1° | 109.5° |
| O19 | C10 | H1 | 103.2° | 109.5° |
| C10 | O19 | H17 | 109.5° | 114.1° |
| C10 | C09 | O14 | 112.2° | 109.4° |
| C10 | C09 | O08 | 92.4° | 109.5° |
| C09 | C10 | H1 | 102.9° | 109.5° |
| C10 | C09 | H12 | 112.2° | 109.5° |
| C13 | C15 | F16 | 109.5° | 109.5° |
| C15 | C13 | O14 | 111.0° | 109.5° |
| C15 | C13 | H2 | 110.1° | 109.5° |
| C13 | C15 | H3 | 109.5° | 109.5° |
| C13 | C15 | H4 | 109.4° | 109.5° |
| F16 | C15 | H3 | 109.5° | 109.4° |
| F16 | C15 | H4 | 109.5° | 109.4° |
| C13 | O14 | C09 | 114.0° | 114.1° |
| O14 | C13 | H2 | 108.9° | 109.4° |
| O14 | C09 | O08 | 113.2° | 109.5° |
| O14 | C09 | H12 | 112.6° | 109.5° |
| C09 | O08 | C06 | 114.2° | 114.0° |
| O08 | C09 | H12 | 112.8° | 109.5° |
| O08 | C06 | O07 | 107.8° | 109.5° |
| O08 | C06 | C05 | 109.9° | 109.5° |
| O08 | C06 | H11 | 112.8° | 109.5° |
| O07 | C06 | C05 | 105.9° | 109.4° |
| C06 | O07 | C02 | 112.2° | 114.1° |
| O07 | C06 | H11 | 110.2° | 109.4° |
| C06 | C05 | O20 | 104.4° | 109.6° |
| C06 | C05 | C04 | 109.9° | 109.2° |
| C06 | C05 | H10 | 109.7° | 109.5° |
| C05 | C06 | H11 | 110.0° | 109.5° |
| O07 | C02 | C01 | 106.8° | 109.5° |
| O07 | C02 | C03 | 107.3° | 109.4° |
| O07 | C02 | H7 | 110.3° | 109.5° |
| C01 | C02 | C03 | 113.9° | 109.5° |
| C02 | C01 | F23 | 106.1° | 109.5° |
| C02 | C01 | H5 | 110.3° | 109.5° |
| C02 | C01 | H6 | 110.3° | 109.5° |
| C01 | C02 | H7 | 109.0° | 109.4° |
| C02 | C03 | C04 | 108.3° | 109.2° |
| C02 | C03 | O22 | 108.1° | 109.5° |
| C03 | C02 | H7 | 109.4° | 109.5° |
| C02 | C03 | H8 | 110.0° | 109.5° |
| F23 | C01 | H5 | 110.3° | 109.5° |
| F23 | C01 | H6 | 110.3° | 109.5° |
| O20 | C05 | C04 | 111.0° | 109.5° |
| O20 | C05 | H10 | 111.4° | 109.5° |
| C05 | O20 | H18 | 109.5° | 114.0° |
| C05 | C04 | C03 | 110.0° | 109.0° |
| C05 | C04 | O21 | 109.1° | 109.6° |
| C05 | C04 | H9 | 108.7° | 109.6° |
| C04 | C05 | H10 | 110.4° | 109.5° |
| C03 | C04 | O21 | 111.0° | 109.5° |
| C04 | C03 | O22 | 109.0° | 109.5° |
| C04 | C03 | H8 | 110.6° | 109.6° |
| C03 | C04 | H9 | 109.0° | 109.5° |
| O21 | C04 | H9 | 109.1° | 109.5° |
| C04 | O21 | H19 | 109.5° | 114.0° |
| O22 | C03 | H8 | 110.8° | 109.5° |
| C03 | O22 | H20 | 109.5° | 114.0° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C11 | C12 | C10 | 138.9° | 119.9° |
| O18 | C11 | C12 | H13 | 110.6° | 120.2° |
| O18 | C11 | C10 | H13 | 108.9° | 120.3° |
| O18 | C11 | C12 | O17 | 23.9° | 57.0° |
| O18 | C11 | C12 | C13 | 152.9° | 62.9° |
| O18 | C11 | C10 | O19 | 47.8° | 177.2° |
| O18 | C11 | C10 | C09 | 179.2° | 62.9° |
| O18 | C11 | C10 | H1 | 65.2° | 57.0° |
| O18 | C11 | C12 | H14 | 92.8° | 177.2° |
| C12 | C11 | C10 | H13 | 110.2° | 119.9° |
| C11 | C12 | O17 | C13 | 131.3° | 119.8° |
| C11 | C12 | O17 | H14 | 116.3° | 120.2° |
| C11 | C12 | C13 | H14 | 114.7° | 119.9° |
| C12 | C11 | C10 | O19 | 171.3° | 63.0° |
| C12 | C11 | C10 | C09 | 38.3° | 57.0° |
| C11 | C12 | C13 | C15 | 154.1° | 177.6° |
| C11 | C12 | C13 | O14 | 32.5° | 57.5° |
| C12 | C11 | C10 | H1 | 75.8° | 176.9° |
| C11 | C12 | C13 | H2 | 85.1° | 62.4° |
| C11 | C12 | O17 | H15 | 180.0° | 180.0° |
| C12 | C11 | O18 | H16 | 180.0° | 180.0° |
| C10 | C11 | C12 | O17 | 115.0° | 176.9° |
| C10 | C11 | C12 | C13 | 13.9° | 56.9° |
| C11 | C10 | O19 | C09 | 139.1° | 119.7° |
| C11 | C10 | O19 | H1 | 113.0° | 120.2° |
| C11 | C10 | C09 | H1 | 114.2° | 119.9° |
| C11 | C10 | C09 | O14 | 9.3° | 57.6° |
| C11 | C10 | C09 | O08 | 125.6° | 62.4° |
| C11 | C10 | C09 | H12 | 118.5° | 177.6° |
| C10 | C11 | C12 | H14 | 128.3° | 62.9° |
| C10 | C11 | O18 | H16 | 39.7° | 60.5° |
| C11 | C10 | O19 | H17 | 180.0° | 179.7° |
| O17 | C12 | C13 | H14 | 113.4° | 120.1° |
| O17 | C12 | C13 | C15 | 74.0° | 62.5° |
| O17 | C12 | C13 | O14 | 164.4° | 177.5° |
| O17 | C12 | C13 | H2 | 46.8° | 57.6° |
| O17 | C12 | C11 | H13 | 134.6° | 63.2° |
| C12 | C13 | C15 | O14 | 119.6° | 120.0° |
| C12 | C13 | C15 | H2 | 119.7° | 120.0° |
| C12 | C13 | C15 | F16 | 176.6° | 175.0° |
| C12 | C13 | O14 | H2 | 117.3° | 119.9° |
| C12 | C13 | O14 | C09 | 63.3° | 61.1° |
| C12 | C13 | C15 | H3 | 56.6° | 55.0° |
| C12 | C13 | C15 | H4 | 63.4° | 65.0° |
| C13 | C12 | C11 | H13 | 96.5° | 176.9° |
| C13 | C12 | O17 | H15 | 48.7° | 60.3° |
| O19 | C10 | C09 | H1 | 108.1° | 120.1° |
| O19 | C10 | C09 | O14 | 147.1° | 62.4° |
| O19 | C10 | C09 | O08 | 96.7° | 177.6° |
| O19 | C10 | C09 | H12 | 19.2° | 57.6° |
| O19 | C10 | C11 | H13 | 61.1° | 56.9° |
| C10 | C09 | O14 | C13 | 42.6° | 61.1° |
| C10 | C09 | O14 | O08 | 102.9° | 120.0° |
| C10 | C09 | O14 | H12 | 127.7° | 120.0° |
| C10 | C09 | O08 | H12 | 115.3° | 120.0° |
| C10 | C09 | O08 | C06 | 176.4° | 170.0° |
| C09 | C10 | C11 | H13 | 71.9° | 176.8° |
| C09 | C10 | O19 | H17 | 40.9° | 60.0° |
| C13 | C15 | F16 | H3 | 120.0° | 120.0° |
| C13 | C15 | F16 | H4 | 120.0° | 120.0° |
| C15 | C13 | O14 | H2 | 121.3° | 120.1° |
| C15 | C13 | O14 | C09 | 175.3° | 178.9° |
| C13 | C15 | H3 | H4 | 120.0° | 120.0° |
| C15 | C13 | C12 | H14 | 39.4° | 57.7° |
| F16 | C15 | C13 | O14 | 63.8° | 65.0° |
| F16 | C15 | C13 | H2 | 56.8° | 55.0° |
| F16 | C15 | H3 | H4 | 120.0° | 119.9° |
| C13 | O14 | C09 | O08 | 60.3° | 58.8° |
| O14 | C13 | C15 | H3 | 176.2° | 175.0° |
| O14 | C13 | C15 | H4 | 56.2° | 55.0° |
| C13 | O14 | C09 | H12 | 170.2° | 178.8° |
| O14 | C13 | C12 | H14 | 82.2° | 62.4° |
| O14 | C09 | O08 | H12 | 129.3° | 120.0° |
| O14 | C09 | O08 | C06 | 61.0° | 70.1° |
| O14 | C09 | C10 | H1 | 104.9° | 177.5° |
| C09 | O14 | C13 | H2 | 53.9° | 58.8° |
| C09 | O08 | C06 | O07 | 66.5° | 69.9° |
| C09 | O08 | C06 | C05 | 178.5° | 170.1° |
| O08 | C09 | C10 | H1 | 11.4° | 57.5° |
| C09 | O08 | C06 | H11 | 55.4° | 50.0° |
| O08 | C06 | O07 | C05 | 117.6° | 120.0° |
| O08 | C06 | O07 | H11 | 123.5° | 120.0° |
| O08 | C06 | C05 | H11 | 124.8° | 120.0° |
| O08 | C06 | O07 | C02 | 57.9° | 58.9° |
| O08 | C06 | C05 | O20 | 58.8° | 57.6° |
| O08 | C06 | C05 | C04 | 60.2° | 62.4° |
| O08 | C06 | C05 | H10 | 178.2° | 177.7° |
| C06 | O08 | C09 | H12 | 68.3° | 49.9° |
| O07 | C06 | C05 | H11 | 119.0° | 119.9° |
| C06 | O07 | C02 | C01 | 173.7° | 178.9° |
| C06 | O07 | C02 | C03 | 63.8° | 61.1° |
| O07 | C06 | C05 | O20 | 175.0° | 177.6° |
| O07 | C06 | C05 | C04 | 55.9° | 57.6° |
| C06 | O07 | C02 | H7 | 55.3° | 58.9° |
| O07 | C06 | C05 | H10 | 65.6° | 62.3° |
| C05 | C06 | O07 | C02 | 59.7° | 61.1° |
| C06 | C05 | O20 | C04 | 118.3° | 119.7° |
| C06 | C05 | O20 | H10 | 118.3° | 120.2° |
| C06 | C05 | C04 | H10 | 121.1° | 119.9° |
| C06 | C05 | C04 | C03 | 60.8° | 57.0° |
| C06 | C05 | C04 | O21 | 177.3° | 176.8° |
| C06 | C05 | C04 | H9 | 58.4° | 62.9° |
| C06 | C05 | O20 | H18 | 180.0° | 60.2° |
| O07 | C02 | C01 | C03 | 118.3° | 120.0° |
| O07 | C02 | C01 | H7 | 119.2° | 120.0° |
| O07 | C02 | C03 | H7 | 119.7° | 120.0° |
| O07 | C02 | C01 | F23 | 66.7° | 65.0° |
| O07 | C02 | C03 | C04 | 63.8° | 57.6° |
| O07 | C02 | C03 | O22 | 178.2° | 177.5° |
| O07 | C02 | C01 | H5 | 52.7° | 175.0° |
| O07 | C02 | C01 | H6 | 173.8° | 55.0° |
| O07 | C02 | C03 | H8 | 57.2° | 62.3° |
| C02 | O07 | C06 | H11 | 178.6° | 178.9° |
| C01 | C02 | C03 | H7 | 122.3° | 120.0° |
| C02 | C01 | F23 | H5 | 119.4° | 120.0° |
| C02 | C01 | F23 | H6 | 119.4° | 120.0° |
| C01 | C02 | C03 | C04 | 178.2° | 177.6° |
| C01 | C02 | C03 | O22 | 60.2° | 62.5° |
| C02 | C01 | H5 | H6 | 121.5° | 120.0° |
| C01 | C02 | C03 | H8 | 60.8° | 57.7° |
| C03 | C02 | C01 | F23 | 51.6° | 175.1° |
| C02 | C03 | C04 | C05 | 63.3° | 57.0° |
| C02 | C03 | C04 | O22 | 117.4° | 119.9° |
| C02 | C03 | C04 | H8 | 120.6° | 119.9° |
| C02 | C03 | C04 | O21 | 175.8° | 176.8° |
| C02 | C03 | O22 | H8 | 120.6° | 120.1° |
| C03 | C02 | C01 | H5 | 171.0° | 55.0° |
| C03 | C02 | C01 | H6 | 67.9° | 65.0° |
| C02 | C03 | C04 | H9 | 55.7° | 63.0° |
| C02 | C03 | O22 | H20 | 180.0° | 60.0° |
| F23 | C01 | H5 | H6 | 121.6° | 120.0° |
| F23 | C01 | C02 | H7 | 174.1° | 55.1° |
| O20 | C05 | C04 | H10 | 124.0° | 120.1° |
| O20 | C05 | C04 | C03 | 175.7° | 177.0° |
| O20 | C05 | C04 | O21 | 62.3° | 63.2° |
| O20 | C05 | C04 | H9 | 56.5° | 57.0° |
| O20 | C05 | C06 | H11 | 66.0° | 62.5° |
| C05 | C04 | C03 | O21 | 120.9° | 119.9° |
| C05 | C04 | C03 | H9 | 119.0° | 120.0° |
| C05 | C04 | O21 | H9 | 118.6° | 120.3° |
| C05 | C04 | C03 | O22 | 179.3° | 176.9° |
| C05 | C04 | C03 | H8 | 57.3° | 63.0° |
| C04 | C05 | C06 | H11 | 175.0° | 177.6° |
| C04 | C05 | O20 | H18 | 61.7° | 180.0° |
| C05 | C04 | O21 | H19 | 180.0° | 60.4° |
| C03 | C04 | O21 | H9 | 120.1° | 120.1° |
| C04 | C03 | O22 | H8 | 121.9° | 120.2° |
| C04 | C03 | C02 | H7 | 55.8° | 62.4° |
| C03 | C04 | C05 | H10 | 60.3° | 62.9° |
| C03 | C04 | O21 | H19 | 58.6° | 180.0° |
| C04 | C03 | O22 | H20 | 62.5° | 179.7° |
| O21 | C04 | C03 | O22 | 58.4° | 63.2° |
| O21 | C04 | C03 | H8 | 63.6° | 56.9° |
| O21 | C04 | C05 | H10 | 61.7° | 56.9° |
| O22 | C03 | C02 | H7 | 62.1° | 57.5° |
| O22 | C03 | C04 | H9 | 61.7° | 56.9° |
| H1 | C10 | C09 | H12 | 127.2° | 62.5° |
| H1 | C10 | C11 | H13 | 174.1° | 63.3° |
| H1 | C10 | O19 | H17 | 67.0° | 60.1° |
| H2 | C13 | C15 | H3 | 63.2° | 65.0° |
| H2 | C13 | C15 | H4 | 176.9° | 175.0° |
| H2 | C13 | C12 | H14 | 160.1° | 177.8° |
| H5 | C01 | C02 | H7 | 66.5° | 64.9° |
| H6 | C01 | C02 | H7 | 54.6° | 175.1° |
| H7 | C02 | C03 | H8 | 176.9° | 177.6° |
| H8 | C03 | C04 | H9 | 176.3° | 177.0° |
| H8 | C03 | O22 | H20 | 59.4° | 60.2° |
| H9 | C04 | C05 | H10 | 179.5° | 177.1° |
| H9 | C04 | O21 | H19 | 61.4° | 59.9° |
| H10 | C05 | C06 | H11 | 53.4° | 57.7° |
| H10 | C05 | O20 | H18 | 61.7° | 59.9° |
| H13 | C11 | C12 | H14 | 17.8° | 57.0° |
| H13 | C11 | O18 | H16 | 69.4° | 59.8° |
| H14 | C12 | O17 | H15 | 63.7° | 59.8° |
