U6O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.33Å | 1.46Å | Aromatic |
| C02 | C03 | sing | 1.51Å | 1.50Å | |
| C01 | C04 | sing | 1.51Å | 1.49Å | |
| C01 | S05 | sing | 1.76Å | 1.59Å | Aromatic |
| S05 | C06 | sing | 1.76Å | 1.56Å | Aromatic |
| C02 | C07 | sing | 1.44Å | 1.58Å | Aromatic |
| C06 | C07 | doub | 1.37Å | 1.44Å | Aromatic |
| C06 | N08 | sing | 1.39Å | 1.42Å | |
| C07 | C09 | sing | 1.47Å | 1.49Å | |
| C09 | N10 | doub | 1.33Å | 1.37Å | Aromatic |
| N10 | C11 | sing | 1.34Å | 1.36Å | Aromatic |
| C11 | N12 | doub | 1.30Å | 1.35Å | Aromatic |
| C09 | O13 | sing | 1.34Å | 1.33Å | Aromatic |
| N12 | O13 | sing | 1.21Å | 1.36Å | Aromatic |
| C11 | C14 | sing | 1.51Å | 1.50Å | |
| N08 | C15 | sing | 1.35Å | 1.41Å | |
| C15 | O16 | doub | 1.22Å | 1.24Å | |
| C15 | C17 | sing | 1.47Å | 1.49Å | |
| C17 | C18 | sing | 1.51Å | 1.45Å | |
| C18 | C19 | sing | 1.55Å | 1.57Å | |
| C19 | C20 | sing | 1.55Å | 1.58Å | |
| C17 | C21 | doub | 1.34Å | 1.39Å | |
| C20 | C21 | sing | 1.51Å | 1.45Å | |
| C21 | C22 | sing | 1.47Å | 1.50Å | |
| C22 | O23 | doub | 1.21Å | 1.27Å | |
| C22 | O24 | sing | 1.35Å | 1.26Å | |
| C14 | C25 | sing | 1.53Å | 1.49Å | |
| C14 | C26 | sing | 1.53Å | 1.49Å | |
| C25 | C26 | sing | 1.53Å | 1.50Å | |
| C04 | H32 | sing | 1.09Å | 1.10Å | |
| C04 | H31 | sing | 1.09Å | 1.10Å | |
| C04 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C19 | H38 | sing | 1.09Å | 1.10Å | |
| C19 | H37 | sing | 1.09Å | 1.10Å | |
| C20 | H40 | sing | 1.09Å | 1.10Å | |
| C20 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| C26 | H45 | sing | 1.09Å | 1.10Å | |
| C26 | H44 | sing | 1.09Å | 1.10Å | |
| C03 | H27 | sing | 1.09Å | 1.10Å | |
| C03 | H28 | sing | 1.09Å | 1.10Å | |
| C03 | H29 | sing | 1.09Å | 1.10Å | |
| N08 | H33 | sing | 0.97Å | 1.00Å | |
| C14 | H34 | sing | 1.09Å | 1.10Å | |
| O24 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 127.7° | 122.9° |
| C02 | C01 | C04 | 122.3° | 124.5° |
| C02 | C01 | S05 | 110.5° | 111.0° |
| C01 | C02 | C07 | 106.3° | 114.3° |
| C03 | C02 | C07 | 126.0° | 122.8° |
| C02 | C03 | H27 | 109.5° | 109.5° |
| C02 | C03 | H28 | 109.4° | 109.5° |
| C02 | C03 | H29 | 109.5° | 109.5° |
| C04 | C01 | S05 | 127.3° | 124.5° |
| C01 | C04 | H32 | 109.5° | 109.5° |
| C01 | C04 | H31 | 109.4° | 109.4° |
| C01 | C04 | H30 | 109.4° | 109.4° |
| C01 | S05 | C06 | 103.7° | 91.9° |
| S05 | C06 | C07 | 109.9° | 109.8° |
| S05 | C06 | N08 | 131.7° | 125.1° |
| C02 | C07 | C06 | 109.7° | 113.0° |
| C02 | C07 | C09 | 128.4° | 123.5° |
| C07 | C06 | N08 | 118.4° | 125.1° |
| C06 | C07 | C09 | 121.9° | 123.5° |
| C06 | N08 | C15 | 124.6° | 120.0° |
| C06 | N08 | H33 | 117.7° | 120.0° |
| C07 | C09 | N10 | 126.6° | 126.7° |
| C07 | C09 | O13 | 124.1° | 126.7° |
| C09 | N10 | C11 | 107.1° | 105.5° |
| N10 | C09 | O13 | 109.2° | 106.6° |
| N10 | C11 | N12 | 107.4° | 107.7° |
| N10 | C11 | C14 | 128.8° | 126.2° |
| C11 | N12 | O13 | 109.3° | 110.6° |
| N12 | C11 | C14 | 123.8° | 126.1° |
| C09 | O13 | N12 | 106.9° | 109.6° |
| C11 | C14 | C25 | 117.4° | 117.5° |
| C11 | C14 | C26 | 114.0° | 117.5° |
| C11 | C14 | H34 | 117.4° | 115.5° |
| N08 | C15 | O16 | 121.2° | 120.0° |
| N08 | C15 | C17 | 114.5° | 120.0° |
| C15 | N08 | H33 | 117.7° | 120.0° |
| O16 | C15 | C17 | 124.3° | 120.0° |
| C15 | C17 | C18 | 121.5° | 124.8° |
| C15 | C17 | C21 | 125.0° | 124.7° |
| C17 | C18 | C19 | 102.7° | 104.9° |
| C18 | C17 | C21 | 113.5° | 110.5° |
| C17 | C18 | H35 | 111.1° | 110.4° |
| C17 | C18 | H36 | 111.1° | 110.3° |
| C18 | C19 | C20 | 106.0° | 101.9° |
| C19 | C18 | H35 | 111.1° | 110.4° |
| C19 | C18 | H36 | 111.1° | 110.3° |
| C18 | C19 | H38 | 110.3° | 110.9° |
| C18 | C19 | H37 | 110.3° | 110.9° |
| C19 | C20 | C21 | 103.4° | 105.0° |
| C20 | C19 | H38 | 110.3° | 111.0° |
| C20 | C19 | H37 | 110.4° | 111.0° |
| C19 | C20 | H40 | 111.0° | 110.3° |
| C19 | C20 | H39 | 111.0° | 110.3° |
| C17 | C21 | C20 | 111.8° | 110.6° |
| C17 | C21 | C22 | 123.7° | 124.7° |
| C20 | C21 | C22 | 124.5° | 124.7° |
| C21 | C20 | H40 | 111.0° | 110.5° |
| C21 | C20 | H39 | 111.0° | 110.2° |
| C21 | C22 | O23 | 121.9° | 120.0° |
| C21 | C22 | O24 | 119.0° | 120.0° |
| O23 | C22 | O24 | 119.1° | 120.0° |
| C22 | O24 | H1 | 109.5° | 117.0° |
| C25 | C14 | C26 | 60.4° | 60.0° |
| C14 | C25 | C26 | 59.9° | 60.0° |
| C14 | C25 | H42 | 120.0° | 117.5° |
| C14 | C25 | H43 | 120.0° | 117.5° |
| C25 | C14 | H34 | 117.6° | 117.5° |
| C14 | C26 | C25 | 59.6° | 60.0° |
| C14 | C26 | H45 | 120.1° | 117.5° |
| C14 | C26 | H44 | 120.1° | 117.5° |
| C26 | C14 | H34 | 117.5° | 117.5° |
| C26 | C25 | H42 | 120.0° | 117.5° |
| C26 | C25 | H43 | 120.0° | 117.5° |
| C25 | C26 | H45 | 120.1° | 117.5° |
| C25 | C26 | H44 | 120.1° | 117.5° |
| H32 | C04 | H31 | 109.5° | 109.5° |
| H32 | C04 | H30 | 109.4° | 109.4° |
| H31 | C04 | H30 | 109.5° | 109.5° |
| H35 | C18 | H36 | 109.5° | 110.3° |
| H38 | C19 | H37 | 109.5° | 110.8° |
| H40 | C20 | H39 | 109.4° | 110.4° |
| H42 | C25 | H43 | 109.5° | 115.6° |
| H45 | C26 | H44 | 109.5° | 115.6° |
| H27 | C03 | H28 | 109.5° | 109.5° |
| H27 | C03 | H29 | 109.5° | 109.5° |
| H28 | C03 | H29 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C07 | 179.5° | 180.0° |
| C02 | C01 | C04 | S05 | 179.9° | 179.7° |
| C02 | C01 | S05 | C06 | 0.4° | 0.3° |
| C01 | C02 | C07 | C06 | 0.8° | 0.1° |
| C01 | C02 | C07 | C09 | 178.3° | 180.0° |
| C02 | C01 | C04 | H32 | 179.9° | 90.0° |
| C02 | C01 | C04 | H31 | 60.1° | 150.0° |
| C02 | C01 | C04 | H30 | 59.9° | 30.0° |
| C01 | C02 | C03 | H27 | 90.2° | 90.0° |
| C01 | C02 | C03 | H28 | 149.7° | 150.0° |
| C01 | C02 | C03 | H29 | 29.7° | 30.0° |
| C03 | C02 | C01 | C04 | 0.4° | 0.0° |
| C03 | C02 | C01 | S05 | 179.7° | 179.7° |
| C03 | C02 | C07 | C06 | 179.6° | 180.0° |
| C03 | C02 | C07 | C09 | 2.1° | 0.1° |
| C02 | C03 | H27 | H28 | 120.0° | 120.0° |
| C02 | C03 | H27 | H29 | 120.0° | 120.0° |
| C02 | C03 | H28 | H29 | 120.0° | 120.0° |
| C04 | C01 | S05 | C06 | 179.5° | 180.0° |
| C04 | C01 | C02 | C07 | 179.1° | 180.0° |
| C01 | C04 | H32 | H31 | 120.0° | 120.0° |
| C01 | C04 | H32 | H30 | 120.0° | 120.0° |
| C01 | C04 | H31 | H30 | 120.0° | 120.0° |
| S05 | C01 | C02 | C07 | 0.8° | 0.3° |
| C01 | S05 | C06 | C07 | 0.1° | 0.3° |
| C01 | S05 | C06 | N08 | 177.3° | 179.9° |
| S05 | C01 | C04 | H32 | 0.0° | 89.7° |
| S05 | C01 | C04 | H31 | 120.0° | 30.3° |
| S05 | C01 | C04 | H30 | 120.0° | 150.3° |
| S05 | C06 | C07 | C02 | 0.6° | 0.2° |
| S05 | C06 | C07 | N08 | 177.7° | 179.8° |
| S05 | C06 | C07 | C09 | 178.2° | 179.7° |
| S05 | C06 | N08 | C15 | 2.9° | 0.3° |
| S05 | C06 | N08 | H33 | 177.1° | 179.7° |
| C02 | C07 | C06 | C09 | 177.6° | 179.9° |
| C02 | C07 | C06 | N08 | 178.2° | 180.0° |
| C02 | C07 | C09 | N10 | 178.2° | 180.0° |
| C02 | C07 | C09 | O13 | 1.6° | 0.2° |
| C07 | C02 | C03 | H27 | 90.2° | 90.0° |
| C07 | C02 | C03 | H28 | 29.8° | 30.1° |
| C07 | C02 | C03 | H29 | 149.8° | 150.0° |
| C06 | C07 | C09 | N10 | 1.0° | 0.1° |
| C06 | C07 | C09 | O13 | 175.5° | 179.7° |
| C07 | C06 | N08 | C15 | 174.2° | 179.9° |
| C07 | C06 | N08 | H33 | 5.8° | 0.0° |
| N08 | C06 | C07 | C09 | 4.1° | 0.1° |
| C06 | N08 | C15 | H33 | 180.0° | 179.9° |
| C06 | N08 | C15 | O16 | 2.8° | 0.1° |
| C06 | N08 | C15 | C17 | 177.0° | 180.0° |
| C07 | C09 | N10 | O13 | 177.0° | 179.8° |
| C07 | C09 | N10 | C11 | 178.6° | 180.0° |
| C07 | C09 | O13 | N12 | 178.5° | 179.9° |
| C09 | N10 | C11 | N12 | 1.2° | 0.0° |
| N10 | C09 | O13 | N12 | 1.4° | 0.3° |
| C09 | N10 | C11 | C14 | 178.3° | 179.8° |
| N10 | C11 | N12 | C14 | 179.6° | 179.8° |
| C11 | N10 | C09 | O13 | 1.6° | 0.2° |
| N10 | C11 | N12 | O13 | 0.4° | 0.2° |
| N10 | C11 | C14 | C25 | 31.9° | 120.3° |
| N10 | C11 | C14 | C26 | 35.9° | 171.1° |
| N10 | C11 | C14 | H34 | 179.1° | 25.4° |
| C11 | N12 | O13 | C09 | 0.6° | 0.3° |
| N12 | C11 | C14 | C25 | 148.6° | 60.0° |
| N12 | C11 | C14 | C26 | 143.6° | 8.6° |
| N12 | C11 | C14 | H34 | 0.3° | 154.3° |
| O13 | N12 | C11 | C14 | 179.2° | 180.0° |
| C11 | C14 | C25 | C26 | 103.5° | 107.5° |
| C11 | C14 | C25 | H34 | 148.9° | 145.0° |
| C11 | C14 | C26 | H34 | 143.1° | 145.0° |
| C11 | C14 | C25 | H42 | 147.1° | 0.0° |
| C11 | C14 | C25 | H43 | 5.9° | 145.1° |
| C11 | C14 | C26 | H45 | 0.3° | 145.0° |
| C11 | C14 | C26 | H44 | 141.6° | 0.0° |
| N08 | C15 | O16 | C17 | 179.8° | 179.9° |
| N08 | C15 | C17 | C18 | 4.2° | 104.0° |
| N08 | C15 | C17 | C21 | 173.9° | 75.7° |
| O16 | C15 | C17 | C18 | 176.0° | 75.9° |
| O16 | C15 | C17 | C21 | 5.9° | 104.4° |
| O16 | C15 | N08 | H33 | 177.2° | 180.0° |
| C15 | C17 | C18 | C21 | 178.3° | 179.8° |
| C15 | C17 | C18 | C19 | 168.5° | 163.3° |
| C15 | C17 | C21 | C20 | 178.6° | 179.9° |
| C15 | C17 | C21 | C22 | 0.7° | 0.0° |
| C15 | C17 | C18 | H35 | 49.6° | 44.4° |
| C15 | C17 | C18 | H36 | 72.6° | 77.8° |
| C17 | C15 | N08 | H33 | 3.0° | 0.1° |
| C17 | C18 | C19 | H35 | 118.9° | 118.9° |
| C17 | C18 | C19 | H36 | 118.9° | 118.8° |
| C17 | C18 | C19 | C20 | 15.3° | 25.3° |
| C18 | C17 | C21 | C20 | 0.4° | 0.3° |
| C18 | C17 | C21 | C22 | 178.9° | 179.7° |
| C17 | C18 | H35 | H36 | 123.1° | 122.2° |
| C17 | C18 | C19 | H38 | 104.1° | 92.9° |
| C17 | C18 | C19 | H37 | 134.8° | 143.5° |
| C18 | C19 | C20 | H38 | 119.4° | 118.1° |
| C18 | C19 | C20 | H37 | 119.5° | 118.2° |
| C19 | C18 | C17 | C21 | 9.8° | 16.9° |
| C18 | C19 | C20 | C21 | 15.7° | 25.1° |
| C19 | C18 | H35 | H36 | 123.1° | 122.2° |
| C18 | C19 | H38 | H37 | 121.6° | 123.7° |
| C18 | C19 | C20 | H40 | 134.7° | 144.2° |
| C18 | C19 | C20 | H39 | 103.3° | 93.6° |
| C19 | C20 | C21 | C17 | 10.3° | 16.4° |
| C19 | C20 | C21 | H40 | 119.0° | 118.9° |
| C19 | C20 | C21 | H39 | 119.0° | 118.8° |
| C19 | C20 | C21 | C22 | 169.0° | 163.5° |
| C20 | C19 | C18 | H35 | 134.2° | 144.2° |
| C20 | C19 | C18 | H36 | 103.6° | 93.6° |
| C20 | C19 | H38 | H37 | 121.6° | 123.8° |
| C19 | C20 | H40 | H39 | 122.8° | 122.2° |
| C17 | C21 | C20 | C22 | 179.3° | 179.9° |
| C17 | C21 | C22 | O23 | 88.4° | 5.6° |
| C17 | C21 | C22 | O24 | 90.7° | 174.5° |
| C21 | C17 | C18 | H35 | 128.7° | 135.9° |
| C21 | C17 | C18 | H36 | 109.1° | 101.9° |
| C17 | C21 | C20 | H40 | 129.4° | 135.3° |
| C17 | C21 | C20 | H39 | 108.7° | 102.4° |
| C20 | C21 | C22 | O23 | 92.4° | 174.3° |
| C20 | C21 | C22 | O24 | 88.5° | 5.6° |
| C21 | C20 | C19 | H38 | 103.7° | 93.0° |
| C21 | C20 | C19 | H37 | 135.2° | 143.3° |
| C21 | C20 | H40 | H39 | 122.8° | 122.2° |
| C21 | C22 | O23 | O24 | 179.1° | 180.0° |
| C22 | C21 | C20 | H40 | 49.9° | 44.6° |
| C22 | C21 | C20 | H39 | 72.0° | 77.7° |
| C21 | C22 | O24 | H1 | 179.2° | 180.0° |
| O23 | C22 | O24 | H1 | 0.0° | 0.0° |
| C25 | C14 | C26 | H34 | 107.8° | 107.5° |
| C14 | C25 | C26 | H42 | 109.5° | 107.5° |
| C14 | C25 | C26 | H43 | 109.5° | 107.5° |
| C14 | C25 | H42 | H43 | 144.8° | 145.8° |
| C25 | C14 | C26 | H45 | 109.4° | 107.5° |
| C25 | C14 | C26 | H44 | 109.4° | 107.5° |
| C14 | C26 | H45 | H44 | 144.9° | 145.7° |
| C26 | C25 | H42 | H43 | 144.7° | 145.6° |
| C25 | C26 | H45 | H44 | 144.9° | 145.7° |
| H32 | C04 | H31 | H30 | 120.0° | 120.0° |
| H35 | C18 | C19 | H38 | 14.8° | 26.0° |
| H35 | C18 | C19 | H37 | 106.3° | 97.6° |
| H36 | C18 | C19 | H38 | 137.0° | 148.2° |
| H36 | C18 | C19 | H37 | 15.9° | 24.6° |
| H38 | C19 | C20 | H40 | 15.3° | 26.1° |
| H38 | C19 | C20 | H39 | 137.2° | 148.3° |
| H37 | C19 | C20 | H40 | 105.8° | 97.7° |
| H37 | C19 | C20 | H39 | 16.1° | 24.5° |
| H42 | C25 | C26 | H45 | 141.1° | 145.0° |
| H42 | C25 | C26 | H44 | 0.1° | 0.0° |
| H42 | C25 | C14 | H34 | 1.8° | 145.0° |
| H43 | C25 | C26 | H45 | 0.1° | 0.1° |
| H43 | C25 | C26 | H44 | 141.1° | 144.9° |
| H43 | C25 | C14 | H34 | 142.9° | 0.1° |
| H45 | C26 | C14 | H34 | 142.8° | 0.0° |
| H44 | C26 | C14 | H34 | 1.6° | 145.1° |
| H27 | C03 | H28 | H29 | 120.0° | 120.0° |
