U1O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | sing | 1.51Å | 1.53Å | |
| O20 | C17 | doub | 1.21Å | 1.21Å | |
| C17 | N16 | sing | 1.35Å | 1.39Å | |
| N16 | C13 | sing | 1.40Å | 1.42Å | |
| C13 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C09 | sing | 1.40Å | 1.41Å | Aromatic |
| O15 | C10 | doub | 1.22Å | 1.22Å | |
| C12 | C11 | doub | 1.37Å | 1.40Å | Aromatic |
| C09 | C10 | sing | 1.47Å | 1.51Å | |
| C09 | C08 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | C05 | sing | 1.47Å | 1.51Å | |
| C11 | C08 | sing | 1.40Å | 1.40Å | Aromatic |
| C08 | S07 | sing | 1.75Å | 1.78Å | |
| C05 | C06 | doub | 1.40Å | 1.41Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.41Å | Aromatic |
| C06 | C01 | sing | 1.37Å | 1.40Å | Aromatic |
| S07 | C04 | sing | 1.75Å | 1.78Å | |
| C04 | C03 | doub | 1.40Å | 1.41Å | Aromatic |
| C01 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.37Å | 1.40Å | Aromatic |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| N16 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | O20 | 121.3° | 120.0° |
| C18 | C17 | N16 | 114.9° | 119.9° |
| C17 | C18 | H8 | 109.5° | 109.5° |
| C17 | C18 | H9 | 109.5° | 109.4° |
| C17 | C18 | H10 | 109.5° | 109.5° |
| O20 | C17 | N16 | 123.8° | 120.0° |
| C17 | N16 | C13 | 129.1° | 119.9° |
| C17 | N16 | H11 | 115.4° | 120.0° |
| N16 | C13 | C14 | 123.2° | 120.1° |
| N16 | C13 | C12 | 118.0° | 119.8° |
| C13 | N16 | H11 | 115.4° | 120.0° |
| C14 | C13 | C12 | 118.8° | 120.1° |
| C13 | C14 | C09 | 121.5° | 119.7° |
| C13 | C14 | H7 | 119.2° | 120.0° |
| C13 | C12 | C11 | 120.3° | 120.4° |
| C13 | C12 | H6 | 119.8° | 119.8° |
| C14 | C09 | C10 | 118.4° | 118.8° |
| C14 | C09 | C08 | 118.8° | 120.1° |
| C09 | C14 | H7 | 119.2° | 120.3° |
| O15 | C10 | C09 | 119.7° | 119.5° |
| O15 | C10 | C05 | 119.2° | 119.5° |
| C12 | C11 | C08 | 120.8° | 120.7° |
| C12 | C11 | H5 | 119.6° | 119.6° |
| C11 | C12 | H6 | 119.8° | 119.8° |
| C10 | C09 | C08 | 122.8° | 121.1° |
| C09 | C10 | C05 | 121.0° | 121.0° |
| C09 | C08 | C11 | 119.8° | 118.9° |
| C09 | C08 | S07 | 123.5° | 122.6° |
| C10 | C05 | C06 | 118.6° | 118.9° |
| C10 | C05 | C04 | 122.9° | 121.3° |
| C11 | C08 | S07 | 116.7° | 118.5° |
| C08 | C11 | H5 | 119.6° | 119.7° |
| C08 | S07 | C04 | 104.3° | 102.9° |
| C06 | C05 | C04 | 118.5° | 119.8° |
| C05 | C06 | C01 | 121.1° | 120.2° |
| C05 | C06 | H4 | 119.4° | 119.9° |
| C05 | C04 | S07 | 123.2° | 122.6° |
| C05 | C04 | C03 | 120.0° | 118.9° |
| C06 | C01 | C02 | 120.0° | 120.0° |
| C06 | C01 | H1 | 120.0° | 120.0° |
| C01 | C06 | H4 | 119.5° | 119.9° |
| S07 | C04 | C03 | 116.7° | 118.6° |
| C04 | C03 | C02 | 120.8° | 120.6° |
| C04 | C03 | H3 | 119.6° | 119.7° |
| C01 | C02 | C03 | 119.5° | 120.5° |
| C02 | C01 | H1 | 120.0° | 120.0° |
| C01 | C02 | H2 | 120.2° | 119.7° |
| C03 | C02 | H2 | 120.2° | 119.8° |
| C02 | C03 | H3 | 119.6° | 119.7° |
| H8 | C18 | H9 | 109.5° | 109.5° |
| H8 | C18 | H10 | 109.5° | 109.5° |
| H9 | C18 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | O20 | N16 | 177.1° | 180.0° |
| C18 | C17 | N16 | C13 | 179.1° | 175.4° |
| C17 | C18 | H8 | H9 | 120.0° | 119.9° |
| C17 | C18 | H8 | H10 | 120.0° | 120.0° |
| C17 | C18 | H9 | H10 | 120.0° | 120.0° |
| C18 | C17 | N16 | H11 | 0.9° | 4.6° |
| O20 | C17 | N16 | C13 | 3.7° | 4.6° |
| O20 | C17 | C18 | H8 | 0.0° | 120.0° |
| O20 | C17 | C18 | H9 | 120.0° | 0.0° |
| O20 | C17 | C18 | H10 | 120.0° | 120.0° |
| O20 | C17 | N16 | H11 | 176.3° | 175.4° |
| C17 | N16 | C13 | H11 | 180.0° | 180.0° |
| C17 | N16 | C13 | C14 | 22.2° | 35.1° |
| C17 | N16 | C13 | C12 | 157.2° | 144.3° |
| N16 | C17 | C18 | H8 | 177.3° | 60.0° |
| N16 | C17 | C18 | H9 | 62.6° | 180.0° |
| N16 | C17 | C18 | H10 | 57.3° | 60.0° |
| N16 | C13 | C14 | C12 | 179.4° | 179.5° |
| N16 | C13 | C14 | C09 | 178.7° | 180.0° |
| N16 | C13 | C12 | C11 | 179.0° | 179.6° |
| N16 | C13 | C12 | H6 | 1.0° | 0.5° |
| N16 | C13 | C14 | H7 | 1.3° | 0.5° |
| C13 | C14 | C09 | H7 | 180.0° | 179.4° |
| C14 | C13 | C12 | C11 | 0.4° | 0.1° |
| C13 | C14 | C09 | C10 | 178.4° | 179.4° |
| C13 | C14 | C09 | C08 | 0.7° | 0.9° |
| C14 | C13 | C12 | H6 | 179.6° | 179.9° |
| C14 | C13 | N16 | H11 | 157.8° | 144.9° |
| C12 | C13 | C14 | C09 | 0.7° | 0.6° |
| C13 | C12 | C11 | H6 | 180.0° | 180.0° |
| C13 | C12 | C11 | C08 | 0.1° | 0.1° |
| C13 | C12 | C11 | H5 | 179.9° | 179.9° |
| C12 | C13 | C14 | H7 | 179.3° | 180.0° |
| C12 | C13 | N16 | H11 | 22.8° | 35.6° |
| C14 | C09 | C10 | O15 | 7.9° | 25.2° |
| C14 | C09 | C10 | C08 | 179.1° | 179.8° |
| C14 | C09 | C10 | C05 | 168.5° | 154.9° |
| C14 | C09 | C08 | C11 | 0.4° | 0.7° |
| C14 | C09 | C08 | S07 | 178.7° | 179.2° |
| O15 | C10 | C09 | C05 | 176.4° | 179.9° |
| O15 | C10 | C09 | C08 | 171.2° | 154.6° |
| O15 | C10 | C05 | C06 | 7.5° | 24.9° |
| O15 | C10 | C05 | C04 | 172.2° | 155.0° |
| C12 | C11 | C08 | C09 | 0.1° | 0.2° |
| C12 | C11 | C08 | H5 | 180.0° | 180.0° |
| C12 | C11 | C08 | S07 | 178.6° | 179.7° |
| C10 | C09 | C08 | C11 | 178.7° | 179.6° |
| C10 | C09 | C08 | S07 | 0.3° | 0.6° |
| C09 | C10 | C05 | C06 | 168.9° | 155.1° |
| C09 | C10 | C05 | C04 | 11.3° | 24.9° |
| C10 | C09 | C14 | H7 | 1.6° | 0.1° |
| C08 | C09 | C10 | C05 | 12.4° | 25.4° |
| C09 | C08 | C11 | S07 | 178.5° | 179.9° |
| C09 | C08 | S07 | C04 | 11.2° | 21.1° |
| C09 | C08 | C11 | H5 | 179.9° | 179.8° |
| C08 | C09 | C14 | H7 | 179.3° | 179.7° |
| C10 | C05 | C06 | C04 | 179.7° | 180.0° |
| C10 | C05 | C06 | C01 | 179.7° | 178.9° |
| C10 | C05 | C04 | S07 | 2.3° | 1.5° |
| C10 | C05 | C04 | C03 | 179.4° | 178.8° |
| C10 | C05 | C06 | H4 | 0.3° | 0.5° |
| C11 | C08 | S07 | C04 | 170.4° | 159.1° |
| C08 | C11 | C12 | H6 | 179.9° | 179.8° |
| C08 | S07 | C04 | C05 | 12.2° | 21.6° |
| C08 | S07 | C04 | C03 | 169.5° | 158.8° |
| S07 | C08 | C11 | H5 | 1.4° | 0.3° |
| C05 | C06 | C01 | H4 | 180.0° | 179.4° |
| C06 | C05 | C04 | S07 | 177.4° | 178.5° |
| C06 | C05 | C04 | C03 | 0.9° | 1.2° |
| C05 | C06 | C01 | C02 | 1.2° | 0.5° |
| C05 | C06 | C01 | H1 | 178.8° | 179.8° |
| C04 | C05 | C06 | C01 | 0.0° | 1.1° |
| C05 | C04 | S07 | C03 | 178.3° | 179.7° |
| C05 | C04 | C03 | C02 | 0.6° | 0.7° |
| C05 | C04 | C03 | H3 | 179.4° | 179.3° |
| C04 | C05 | C06 | H4 | 180.0° | 179.4° |
| C06 | C01 | C02 | H1 | 180.0° | 179.8° |
| C06 | C01 | C02 | C03 | 1.5° | 0.1° |
| C06 | C01 | C02 | H2 | 178.5° | 179.9° |
| S07 | C04 | C03 | C02 | 177.8° | 179.0° |
| S07 | C04 | C03 | H3 | 2.2° | 1.0° |
| C04 | C03 | C02 | C01 | 0.6° | 0.0° |
| C04 | C03 | C02 | H3 | 180.0° | 180.0° |
| C04 | C03 | C02 | H2 | 179.4° | 180.0° |
| C01 | C02 | C03 | H2 | 180.0° | 180.0° |
| C01 | C02 | C03 | H3 | 179.4° | 180.0° |
| C02 | C01 | C06 | H4 | 178.8° | 179.9° |
| C03 | C02 | C01 | H1 | 178.5° | 179.7° |
| H1 | C01 | C02 | H2 | 1.5° | 0.4° |
| H1 | C01 | C06 | H4 | 1.2° | 0.3° |
| H2 | C02 | C03 | H3 | 0.6° | 0.0° |
| H5 | C11 | C12 | H6 | 0.2° | 0.1° |
| H8 | C18 | H9 | H10 | 120.0° | 120.0° |
