U71
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O36 | PA6 | doub | 1.48Å | 1.57Å | |
| O21 | PA1 | doub | 1.48Å | 1.55Å | |
| PA6 | O46 | sing | 1.61Å | 1.52Å | |
| PA6 | O26 | sing | 1.61Å | 1.47Å | |
| PA6 | O16 | sing | 1.61Å | 1.61Å | |
| O31 | PA1 | sing | 1.61Å | 1.50Å | |
| PA1 | O11 | sing | 1.61Å | 1.59Å | |
| PA1 | O41 | sing | 1.61Å | 1.53Å | |
| O16 | C6 | sing | 1.43Å | 1.45Å | |
| O11 | C1 | sing | 1.43Å | 1.43Å | |
| O45 | PA5 | doub | 1.48Å | 1.49Å | |
| C6 | C1 | sing | 1.53Å | 1.51Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| O32 | PA2 | doub | 1.48Å | 1.54Å | |
| O22 | PA2 | sing | 1.61Å | 1.57Å | |
| O25 | PA5 | sing | 1.61Å | 1.54Å | |
| O15 | PA5 | sing | 1.61Å | 1.58Å | |
| O15 | C5 | sing | 1.43Å | 1.46Å | |
| PA5 | O35 | sing | 1.61Å | 1.52Å | |
| O12 | PA2 | sing | 1.61Å | 1.63Å | |
| O12 | C2 | sing | 1.43Å | 1.45Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| PA2 | O42 | sing | 1.61Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C4 | O14 | sing | 1.43Å | 1.45Å | |
| C3 | O13 | sing | 1.43Å | 1.47Å | |
| O34 | PA4 | doub | 1.48Å | 1.54Å | |
| O14 | PA4 | sing | 1.61Å | 1.56Å | |
| O13 | PA3 | sing | 1.61Å | 1.57Å | |
| O43 | PA3 | doub | 1.48Å | 1.50Å | |
| PA4 | O24 | sing | 1.61Å | 1.50Å | |
| PA4 | O44 | sing | 1.61Å | 1.57Å | |
| PA3 | O33 | sing | 1.61Å | 1.52Å | |
| PA3 | O23 | sing | 1.61Å | 1.57Å | |
| O54 | PB4 | doub | 1.48Å | 1.57Å | |
| O44 | PB4 | sing | 1.61Å | 1.65Å | |
| O74 | PB4 | sing | 1.61Å | 1.48Å | |
| PB4 | O64 | sing | 1.61Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O25 | H7 | sing | 0.97Å | 0.95Å | |
| O35 | H8 | sing | 0.97Å | 0.95Å | |
| O26 | H9 | sing | 0.97Å | 0.95Å | |
| O46 | H10 | sing | 0.97Å | 0.95Å | |
| O31 | H11 | sing | 0.97Å | 0.95Å | |
| O41 | H12 | sing | 0.97Å | 0.95Å | |
| O42 | H13 | sing | 0.97Å | 0.95Å | |
| O22 | H14 | sing | 0.97Å | 0.95Å | |
| O33 | H15 | sing | 0.97Å | 0.95Å | |
| O23 | H16 | sing | 0.97Å | 0.95Å | |
| O24 | H17 | sing | 0.97Å | 0.95Å | |
| O64 | H18 | sing | 0.97Å | 0.95Å | |
| O74 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O36 | PA6 | O46 | 109.9° | 109.4° |
| O36 | PA6 | O26 | 117.0° | 109.5° |
| O36 | PA6 | O16 | 104.6° | 109.5° |
| O21 | PA1 | O31 | 118.0° | 109.5° |
| O21 | PA1 | O11 | 100.6° | 109.5° |
| O21 | PA1 | O41 | 110.7° | 109.5° |
| O46 | PA6 | O26 | 110.4° | 109.4° |
| O46 | PA6 | O16 | 104.7° | 109.5° |
| PA6 | O46 | H10 | 109.5° | 114.0° |
| O26 | PA6 | O16 | 109.4° | 109.5° |
| PA6 | O26 | H9 | 109.5° | 114.0° |
| PA6 | O16 | C6 | 123.4° | 123.0° |
| O31 | PA1 | O11 | 106.5° | 109.5° |
| O31 | PA1 | O41 | 117.7° | 109.4° |
| PA1 | O31 | H11 | 109.5° | 113.9° |
| O11 | PA1 | O41 | 99.8° | 109.4° |
| PA1 | O11 | C1 | 123.7° | 123.0° |
| PA1 | O41 | H12 | 109.5° | 114.0° |
| O16 | C6 | C1 | 109.2° | 109.5° |
| O16 | C6 | C5 | 107.3° | 109.5° |
| O16 | C6 | H6 | 110.9° | 109.4° |
| O11 | C1 | C6 | 107.1° | 109.5° |
| O11 | C1 | C2 | 109.8° | 109.5° |
| O11 | C1 | H1 | 111.0° | 109.4° |
| O45 | PA5 | O25 | 113.6° | 109.4° |
| O45 | PA5 | O15 | 100.4° | 109.5° |
| O45 | PA5 | O35 | 114.5° | 109.5° |
| C1 | C6 | C5 | 109.7° | 109.5° |
| C6 | C1 | C2 | 109.8° | 109.5° |
| C6 | C1 | H1 | 109.8° | 109.5° |
| C1 | C6 | H6 | 110.0° | 109.5° |
| C6 | C5 | O15 | 111.5° | 109.5° |
| C6 | C5 | C4 | 109.5° | 109.5° |
| C6 | C5 | H5 | 107.7° | 109.5° |
| C5 | C6 | H6 | 109.6° | 109.5° |
| C1 | C2 | O12 | 108.4° | 109.5° |
| C1 | C2 | C3 | 110.0° | 109.5° |
| C2 | C1 | H1 | 109.3° | 109.5° |
| C1 | C2 | H2 | 108.8° | 109.5° |
| O32 | PA2 | O22 | 115.1° | 109.5° |
| O32 | PA2 | O12 | 103.9° | 109.5° |
| O32 | PA2 | O42 | 113.3° | 109.5° |
| O22 | PA2 | O12 | 105.7° | 109.4° |
| O22 | PA2 | O42 | 111.1° | 109.4° |
| PA2 | O22 | H14 | 109.5° | 114.0° |
| O25 | PA5 | O15 | 106.6° | 109.5° |
| O25 | PA5 | O35 | 113.4° | 109.5° |
| PA5 | O25 | H7 | 109.5° | 113.9° |
| PA5 | O15 | C5 | 125.2° | 123.0° |
| O15 | PA5 | O35 | 107.0° | 109.5° |
| O15 | C5 | C4 | 111.3° | 109.4° |
| O15 | C5 | H5 | 108.8° | 109.5° |
| PA5 | O35 | H8 | 109.5° | 114.0° |
| PA2 | O12 | C2 | 124.3° | 123.0° |
| O12 | PA2 | O42 | 107.0° | 109.5° |
| O12 | C2 | C3 | 110.5° | 109.4° |
| O12 | C2 | H2 | 110.0° | 109.5° |
| C5 | C4 | C3 | 108.6° | 109.5° |
| C5 | C4 | O14 | 110.4° | 109.5° |
| C5 | C4 | H4 | 109.1° | 109.5° |
| C4 | C5 | H5 | 108.0° | 109.5° |
| PA2 | O42 | H13 | 109.5° | 114.0° |
| C2 | C3 | C4 | 110.5° | 109.5° |
| C2 | C3 | O13 | 110.7° | 109.5° |
| C3 | C2 | H2 | 109.1° | 109.5° |
| C2 | C3 | H3 | 108.5° | 109.4° |
| C3 | C4 | O14 | 109.5° | 109.5° |
| C4 | C3 | O13 | 109.5° | 109.5° |
| C4 | C3 | H3 | 108.6° | 109.5° |
| C3 | C4 | H4 | 109.1° | 109.4° |
| C4 | O14 | PA4 | 119.8° | 123.1° |
| O14 | C4 | H4 | 110.1° | 109.5° |
| C3 | O13 | PA3 | 123.1° | 123.0° |
| O13 | C3 | H3 | 109.1° | 109.5° |
| O34 | PA4 | O14 | 113.4° | 109.4° |
| O34 | PA4 | O24 | 113.7° | 109.5° |
| O34 | PA4 | O44 | 112.6° | 109.5° |
| O14 | PA4 | O24 | 111.3° | 109.4° |
| O14 | PA4 | O44 | 100.2° | 109.5° |
| O13 | PA3 | O43 | 100.9° | 109.5° |
| O13 | PA3 | O33 | 109.3° | 109.5° |
| O13 | PA3 | O23 | 105.2° | 109.5° |
| O43 | PA3 | O33 | 115.4° | 109.5° |
| O43 | PA3 | O23 | 112.3° | 109.5° |
| O24 | PA4 | O44 | 104.4° | 109.5° |
| PA4 | O24 | H17 | 109.5° | 114.0° |
| PA4 | O44 | PB4 | 132.5° | 134.0° |
| O33 | PA3 | O23 | 112.6° | 109.5° |
| PA3 | O33 | H15 | 109.5° | 114.0° |
| PA3 | O23 | H16 | 109.5° | 114.0° |
| O54 | PB4 | O44 | 105.8° | 109.4° |
| O54 | PB4 | O74 | 116.7° | 109.5° |
| O54 | PB4 | O64 | 111.4° | 109.5° |
| O44 | PB4 | O74 | 104.5° | 109.5° |
| O44 | PB4 | O64 | 101.0° | 109.4° |
| O74 | PB4 | O64 | 115.3° | 109.5° |
| PB4 | O74 | H19 | 109.5° | 114.1° |
| PB4 | O64 | H18 | 109.5° | 113.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O36 | PA6 | O46 | O26 | 130.5° | 120.0° |
| O36 | PA6 | O46 | O16 | 111.9° | 120.0° |
| O36 | PA6 | O26 | O16 | 118.6° | 120.1° |
| O36 | PA6 | O16 | C6 | 129.3° | 55.0° |
| O36 | PA6 | O26 | H9 | 0.0° | 180.0° |
| O36 | PA6 | O46 | H10 | 158.1° | 59.9° |
| O21 | PA1 | O31 | O11 | 112.0° | 120.0° |
| O21 | PA1 | O31 | O41 | 137.1° | 120.0° |
| O21 | PA1 | O11 | O41 | 113.4° | 120.0° |
| O21 | PA1 | O11 | C1 | 169.6° | 54.9° |
| O21 | PA1 | O31 | H11 | 0.0° | 60.0° |
| O21 | PA1 | O41 | H12 | 0.0° | 180.0° |
| O46 | PA6 | O26 | O16 | 114.7° | 120.0° |
| O46 | PA6 | O16 | C6 | 115.1° | 175.0° |
| O46 | PA6 | O26 | H9 | 126.6° | 60.0° |
| O26 | PA6 | O16 | C6 | 3.2° | 65.0° |
| O26 | PA6 | O46 | H10 | 71.5° | 60.1° |
| PA6 | O16 | C6 | C1 | 130.5° | 120.0° |
| PA6 | O16 | C6 | C5 | 110.6° | 120.0° |
| PA6 | O16 | C6 | H6 | 9.0° | 0.0° |
| O16 | PA6 | O26 | H9 | 118.6° | 60.0° |
| O16 | PA6 | O46 | H10 | 46.1° | 180.0° |
| O31 | PA1 | O11 | O41 | 123.0° | 119.9° |
| O31 | PA1 | O11 | C1 | 46.0° | 175.0° |
| O31 | PA1 | O41 | H12 | 140.0° | 60.0° |
| PA1 | O11 | C1 | C6 | 140.1° | 120.0° |
| PA1 | O11 | C1 | C2 | 100.7° | 120.0° |
| PA1 | O11 | C1 | H1 | 20.2° | 0.1° |
| O11 | PA1 | O31 | H11 | 112.0° | 180.0° |
| O11 | PA1 | O41 | H12 | 105.3° | 60.0° |
| O41 | PA1 | O11 | C1 | 77.0° | 65.1° |
| O41 | PA1 | O31 | H11 | 137.1° | 60.0° |
| O16 | C6 | C1 | O11 | 65.7° | 60.0° |
| O16 | C6 | C1 | C5 | 117.3° | 120.0° |
| O16 | C6 | C1 | H6 | 122.0° | 120.0° |
| O16 | C6 | C5 | H6 | 120.5° | 120.0° |
| O16 | C6 | C1 | C2 | 175.2° | 180.0° |
| O16 | C6 | C5 | O15 | 56.9° | 60.0° |
| O16 | C6 | C5 | C4 | 179.5° | 180.0° |
| O16 | C6 | C1 | H1 | 54.9° | 60.0° |
| O16 | C6 | C5 | H5 | 62.3° | 60.0° |
| O11 | C1 | C6 | C2 | 119.2° | 120.0° |
| O11 | C1 | C6 | H1 | 120.6° | 119.9° |
| O11 | C1 | C6 | C5 | 177.0° | 180.0° |
| O11 | C1 | C2 | H1 | 122.0° | 120.0° |
| O11 | C1 | C2 | O12 | 53.4° | 60.0° |
| O11 | C1 | C2 | C3 | 174.3° | 180.0° |
| O11 | C1 | C2 | H2 | 66.2° | 60.0° |
| O11 | C1 | C6 | H6 | 56.3° | 60.0° |
| O45 | PA5 | O25 | O15 | 109.7° | 120.0° |
| O45 | PA5 | O25 | O35 | 132.9° | 120.0° |
| O45 | PA5 | O15 | O35 | 119.8° | 120.0° |
| O45 | PA5 | O15 | C5 | 132.3° | 55.0° |
| O45 | PA5 | O25 | H7 | 0.0° | 180.0° |
| O45 | PA5 | O35 | H8 | 0.0° | 60.0° |
| C1 | C6 | C5 | H6 | 120.9° | 120.0° |
| C6 | C1 | C2 | H1 | 120.6° | 120.0° |
| C1 | C6 | C5 | O15 | 175.5° | 180.0° |
| C6 | C1 | C2 | O12 | 64.1° | 60.0° |
| C1 | C6 | C5 | C4 | 60.9° | 60.0° |
| C6 | C1 | C2 | C3 | 56.9° | 60.0° |
| C6 | C1 | C2 | H2 | 176.3° | 180.0° |
| C1 | C6 | C5 | H5 | 56.3° | 60.0° |
| C5 | C6 | C1 | C2 | 57.8° | 60.0° |
| C6 | C5 | O15 | PA5 | 117.4° | 120.0° |
| C6 | C5 | O15 | C4 | 122.5° | 120.0° |
| C6 | C5 | O15 | H5 | 118.6° | 120.0° |
| C6 | C5 | C4 | H5 | 117.0° | 120.0° |
| C6 | C5 | C4 | C3 | 61.5° | 60.0° |
| C6 | C5 | C4 | O14 | 178.5° | 180.0° |
| C5 | C6 | C1 | H1 | 62.4° | 60.0° |
| C6 | C5 | C4 | H4 | 57.3° | 60.0° |
| C1 | C2 | O12 | PA2 | 123.4° | 120.0° |
| C1 | C2 | O12 | C3 | 120.7° | 120.0° |
| C1 | C2 | O12 | H2 | 118.9° | 120.0° |
| C1 | C2 | C3 | H2 | 119.3° | 120.0° |
| C1 | C2 | C3 | C4 | 58.5° | 60.0° |
| C1 | C2 | C3 | O13 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 60.3° | 60.0° |
| C2 | C1 | C6 | H6 | 62.8° | 60.0° |
| O32 | PA2 | O22 | O12 | 114.0° | 120.0° |
| O32 | PA2 | O22 | O42 | 130.3° | 120.0° |
| O32 | PA2 | O12 | O42 | 120.1° | 120.0° |
| O32 | PA2 | O12 | C2 | 163.6° | 54.9° |
| O32 | PA2 | O42 | H13 | 0.0° | 179.9° |
| O32 | PA2 | O22 | H14 | 0.0° | 60.0° |
| O22 | PA2 | O12 | O42 | 118.4° | 119.9° |
| O22 | PA2 | O12 | C2 | 42.1° | 175.0° |
| O22 | PA2 | O42 | H13 | 131.3° | 60.0° |
| O25 | PA5 | O15 | O35 | 121.6° | 120.0° |
| O25 | PA5 | O15 | C5 | 13.6° | 65.0° |
| O25 | PA5 | O35 | H8 | 132.5° | 60.0° |
| PA5 | O15 | C5 | C4 | 120.1° | 120.0° |
| PA5 | O15 | C5 | H5 | 1.2° | 0.0° |
| O15 | PA5 | O25 | H7 | 109.7° | 60.0° |
| O15 | PA5 | O35 | H8 | 110.3° | 180.0° |
| C5 | O15 | PA5 | O35 | 107.9° | 175.0° |
| O15 | C5 | C4 | H5 | 119.3° | 120.0° |
| O15 | C5 | C4 | C3 | 174.8° | 180.0° |
| O15 | C5 | C4 | O14 | 54.8° | 60.0° |
| O15 | C5 | C4 | H4 | 66.4° | 60.0° |
| O15 | C5 | C6 | H6 | 63.6° | 59.9° |
| O35 | PA5 | O25 | H7 | 132.9° | 60.0° |
| PA2 | O12 | C2 | C3 | 115.9° | 120.0° |
| PA2 | O12 | C2 | H2 | 4.6° | 0.1° |
| O12 | PA2 | O42 | H13 | 113.8° | 59.9° |
| O12 | PA2 | O22 | H14 | 114.0° | 180.0° |
| C2 | O12 | PA2 | O42 | 76.3° | 65.1° |
| O12 | C2 | C3 | H2 | 121.0° | 120.0° |
| O12 | C2 | C3 | C4 | 61.2° | 60.0° |
| O12 | C2 | C3 | O13 | 60.3° | 60.0° |
| O12 | C2 | C1 | H1 | 175.4° | 180.0° |
| O12 | C2 | C3 | H3 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 61.0° | 60.0° |
| C5 | C4 | C3 | O14 | 120.6° | 120.1° |
| C5 | C4 | C3 | H4 | 118.9° | 120.0° |
| C5 | C4 | O14 | H4 | 120.6° | 120.0° |
| C5 | C4 | C3 | O13 | 176.8° | 180.0° |
| C5 | C4 | O14 | PA4 | 113.4° | 120.0° |
| C5 | C4 | C3 | H3 | 57.9° | 60.0° |
| C4 | C5 | C6 | H6 | 60.0° | 60.0° |
| O42 | PA2 | O22 | H14 | 130.3° | 60.0° |
| C2 | C3 | C4 | O13 | 122.2° | 120.0° |
| C2 | C3 | C4 | H3 | 118.8° | 120.0° |
| C2 | C3 | C4 | O14 | 178.5° | 180.0° |
| C2 | C3 | O13 | H3 | 119.3° | 119.9° |
| C2 | C3 | O13 | PA3 | 82.3° | 120.0° |
| C3 | C2 | C1 | H1 | 63.7° | 60.0° |
| C2 | C3 | C4 | H4 | 57.9° | 60.0° |
| C3 | C4 | O14 | H4 | 120.0° | 119.9° |
| C4 | C3 | O13 | H3 | 118.6° | 120.0° |
| C3 | C4 | O14 | PA4 | 127.1° | 120.0° |
| C4 | C3 | O13 | PA3 | 155.7° | 120.0° |
| C4 | C3 | C2 | H2 | 177.8° | 180.0° |
| C3 | C4 | C5 | H5 | 55.5° | 60.1° |
| O14 | C4 | C3 | O13 | 56.3° | 60.0° |
| C4 | O14 | PA4 | O34 | 68.9° | 54.9° |
| C4 | O14 | PA4 | O24 | 60.8° | 65.0° |
| C4 | O14 | PA4 | O44 | 170.8° | 175.0° |
| O14 | C4 | C3 | H3 | 62.7° | 60.1° |
| O14 | C4 | C5 | H5 | 64.6° | 60.0° |
| C3 | O13 | PA3 | O43 | 85.1° | 55.0° |
| C3 | O13 | PA3 | O33 | 36.9° | 175.0° |
| C3 | O13 | PA3 | O23 | 158.0° | 65.0° |
| O13 | C3 | C2 | H2 | 60.8° | 60.0° |
| O13 | C3 | C4 | H4 | 64.3° | 60.0° |
| O34 | PA4 | O14 | O24 | 129.8° | 119.9° |
| O34 | PA4 | O14 | O44 | 120.3° | 120.0° |
| O34 | PA4 | O24 | O44 | 123.1° | 120.0° |
| O34 | PA4 | O44 | PB4 | 36.6° | 44.9° |
| O34 | PA4 | O24 | H17 | 0.0° | 180.0° |
| O14 | PA4 | O24 | O44 | 107.3° | 120.0° |
| O14 | PA4 | O44 | PB4 | 84.2° | 165.0° |
| PA4 | O14 | C4 | H4 | 7.2° | 0.1° |
| O14 | PA4 | O24 | H17 | 129.6° | 60.1° |
| O13 | PA3 | O43 | O33 | 117.6° | 120.0° |
| O13 | PA3 | O43 | O23 | 111.6° | 120.0° |
| O13 | PA3 | O33 | O23 | 116.5° | 120.0° |
| PA3 | O13 | C3 | H3 | 37.0° | 0.0° |
| O13 | PA3 | O33 | H15 | 112.8° | 180.0° |
| O13 | PA3 | O23 | H16 | 108.8° | 60.0° |
| O43 | PA3 | O33 | O23 | 130.7° | 120.0° |
| O43 | PA3 | O33 | H15 | 0.0° | 60.0° |
| O43 | PA3 | O23 | H16 | 0.0° | 180.0° |
| O24 | PA4 | O44 | PB4 | 160.5° | 75.0° |
| PA4 | O44 | PB4 | O54 | 32.9° | 45.1° |
| PA4 | O44 | PB4 | O74 | 90.9° | 75.0° |
| PA4 | O44 | PB4 | O64 | 149.1° | 165.0° |
| O44 | PA4 | O24 | H17 | 123.1° | 59.9° |
| O33 | PA3 | O23 | H16 | 132.3° | 60.0° |
| O23 | PA3 | O33 | H15 | 130.7° | 60.0° |
| O54 | PB4 | O44 | O74 | 123.8° | 120.0° |
| O54 | PB4 | O44 | O64 | 116.2° | 120.0° |
| O54 | PB4 | O74 | O64 | 133.6° | 120.1° |
| O54 | PB4 | O64 | H18 | 0.0° | 60.0° |
| O54 | PB4 | O74 | H19 | 0.0° | 180.0° |
| O44 | PB4 | O74 | O64 | 110.0° | 120.0° |
| O44 | PB4 | O64 | H18 | 112.0° | 180.0° |
| O44 | PB4 | O74 | H19 | 116.5° | 60.0° |
| O74 | PB4 | O64 | H18 | 136.0° | 60.1° |
| O64 | PB4 | O74 | H19 | 133.6° | 59.9° |
| H1 | C1 | C2 | H2 | 55.7° | 60.0° |
| H1 | C1 | C6 | H6 | 176.9° | 179.9° |
| H2 | C2 | C3 | H3 | 58.9° | 60.0° |
| H3 | C3 | C4 | H4 | 176.7° | 180.0° |
| H4 | C4 | C5 | H5 | 174.3° | 180.0° |
| H5 | C5 | C6 | H6 | 177.2° | 179.9° |
