UEV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | PA1 | doub | 1.48Å | 1.51Å | |
| O41 | PA1 | sing | 1.61Å | 1.59Å | |
| PA1 | O31 | sing | 1.61Å | 1.58Å | |
| PA1 | O11 | sing | 1.61Å | 1.62Å | |
| O42 | PA2 | doub | 1.48Å | 1.61Å | |
| O26 | PA6 | doub | 1.48Å | 1.53Å | |
| O11 | C1 | sing | 1.43Å | 1.44Å | |
| O32 | PA2 | sing | 1.61Å | 1.61Å | |
| PA2 | O22 | sing | 1.61Å | 1.49Å | |
| PA2 | O12 | sing | 1.61Å | 1.60Å | |
| O12 | C2 | sing | 1.43Å | 1.41Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C6 | sing | 1.53Å | 1.51Å | |
| PA6 | O16 | sing | 1.61Å | 1.60Å | |
| PA6 | O46 | sing | 1.61Å | 1.62Å | |
| PA6 | O36 | sing | 1.61Å | 1.57Å | |
| O16 | C6 | sing | 1.43Å | 1.45Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C3 | O13 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| O23 | PA3 | doub | 1.48Å | 1.60Å | |
| C5 | O15 | sing | 1.43Å | 1.44Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| O13 | PA3 | sing | 1.61Å | 1.60Å | |
| O15 | PA5 | sing | 1.61Å | 1.60Å | |
| C4 | O14 | sing | 1.43Å | 1.45Å | |
| O25 | PA5 | doub | 1.48Å | 1.49Å | |
| PA3 | O43 | sing | 1.61Å | 1.60Å | |
| PA3 | O33 | sing | 1.61Å | 1.49Å | |
| PA5 | O35 | sing | 1.61Å | 1.56Å | |
| PA5 | O45 | sing | 1.61Å | 1.58Å | |
| O14 | PA4 | sing | 1.61Å | 1.66Å | |
| O65 | PB5 | doub | 1.48Å | 1.57Å | |
| O45 | PB5 | sing | 1.61Å | 1.65Å | |
| O24 | PA4 | doub | 1.48Å | 1.50Å | |
| O44 | PA4 | sing | 1.61Å | 1.59Å | |
| PB5 | O55 | sing | 1.61Å | 1.51Å | |
| PB5 | O75 | sing | 1.61Å | 1.59Å | |
| PA4 | O34 | sing | 1.61Å | 1.59Å | |
| 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 | |
| O22 | H7 | sing | 0.97Å | 0.95Å | |
| O31 | H8 | sing | 0.97Å | 0.95Å | |
| O32 | H9 | sing | 0.97Å | 0.95Å | |
| O33 | H10 | sing | 0.97Å | 0.95Å | |
| O34 | H11 | sing | 0.97Å | 0.95Å | |
| O35 | H12 | sing | 0.97Å | 0.95Å | |
| O36 | H13 | sing | 0.97Å | 0.95Å | |
| O41 | H14 | sing | 0.97Å | 0.95Å | |
| O43 | H15 | sing | 0.97Å | 0.95Å | |
| O44 | H16 | sing | 0.97Å | 0.95Å | |
| O46 | H17 | sing | 0.97Å | 0.95Å | |
| O55 | H18 | sing | 0.97Å | 0.95Å | |
| O75 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | PA1 | O41 | 109.7° | 109.4° |
| O21 | PA1 | O31 | 115.5° | 109.5° |
| O21 | PA1 | O11 | 106.9° | 109.5° |
| O41 | PA1 | O31 | 113.7° | 109.5° |
| O41 | PA1 | O11 | 97.5° | 109.5° |
| PA1 | O41 | H14 | 109.5° | 113.9° |
| O31 | PA1 | O11 | 111.9° | 109.5° |
| PA1 | O31 | H8 | 109.5° | 114.0° |
| PA1 | O11 | C1 | 125.4° | 123.0° |
| O42 | PA2 | O32 | 113.8° | 109.5° |
| O42 | PA2 | O22 | 113.9° | 109.4° |
| O42 | PA2 | O12 | 98.0° | 109.5° |
| O26 | PA6 | O16 | 106.7° | 109.5° |
| O26 | PA6 | O46 | 114.1° | 109.5° |
| O26 | PA6 | O36 | 113.6° | 109.4° |
| O11 | C1 | C2 | 107.5° | 109.5° |
| O11 | C1 | C6 | 108.9° | 109.5° |
| O11 | C1 | H1 | 110.5° | 109.5° |
| O32 | PA2 | O22 | 116.2° | 109.5° |
| O32 | PA2 | O12 | 106.6° | 109.5° |
| PA2 | O32 | H9 | 109.5° | 113.9° |
| O22 | PA2 | O12 | 106.0° | 109.5° |
| PA2 | O22 | H7 | 109.5° | 114.0° |
| PA2 | O12 | C2 | 121.3° | 122.9° |
| O12 | C2 | C1 | 107.3° | 109.4° |
| O12 | C2 | C3 | 109.0° | 109.5° |
| O12 | C2 | H2 | 110.9° | 109.5° |
| C2 | C1 | C6 | 111.2° | 109.4° |
| C1 | C2 | C3 | 111.1° | 109.5° |
| C2 | C1 | H1 | 109.3° | 109.5° |
| C1 | C2 | H2 | 109.3° | 109.5° |
| C1 | C6 | O16 | 106.9° | 109.5° |
| C1 | C6 | C5 | 110.8° | 109.5° |
| C6 | C1 | H1 | 109.4° | 109.5° |
| C1 | C6 | H6 | 109.9° | 109.5° |
| O16 | PA6 | O46 | 100.8° | 109.5° |
| O16 | PA6 | O36 | 106.5° | 109.5° |
| PA6 | O16 | C6 | 124.4° | 123.0° |
| O46 | PA6 | O36 | 113.7° | 109.5° |
| PA6 | O46 | H17 | 109.5° | 114.0° |
| PA6 | O36 | H13 | 109.5° | 114.0° |
| O16 | C6 | C5 | 108.5° | 109.4° |
| O16 | C6 | H6 | 110.8° | 109.4° |
| C2 | C3 | O13 | 109.9° | 109.5° |
| C2 | C3 | C4 | 109.1° | 109.5° |
| C3 | C2 | H2 | 109.3° | 109.5° |
| C2 | C3 | H3 | 109.3° | 109.5° |
| C6 | C5 | O15 | 109.1° | 109.5° |
| C6 | C5 | C4 | 111.0° | 109.4° |
| C6 | C5 | H5 | 109.5° | 109.5° |
| C5 | C6 | H6 | 109.9° | 109.5° |
| O13 | C3 | C4 | 108.5° | 109.4° |
| C3 | O13 | PA3 | 124.9° | 123.0° |
| O13 | C3 | H3 | 110.7° | 109.4° |
| C3 | C4 | C5 | 108.2° | 109.4° |
| C3 | C4 | O14 | 110.0° | 109.5° |
| C4 | C3 | H3 | 109.3° | 109.4° |
| C3 | C4 | H4 | 109.6° | 109.5° |
| O23 | PA3 | O13 | 98.5° | 109.5° |
| O23 | PA3 | O43 | 115.8° | 109.4° |
| O23 | PA3 | O33 | 116.0° | 109.5° |
| O15 | C5 | C4 | 107.6° | 109.5° |
| C5 | O15 | PA5 | 127.1° | 123.0° |
| O15 | C5 | H5 | 110.4° | 109.5° |
| C5 | C4 | O14 | 108.6° | 109.5° |
| C5 | C4 | H4 | 109.7° | 109.5° |
| C4 | C5 | H5 | 109.3° | 109.4° |
| O13 | PA3 | O43 | 98.2° | 109.5° |
| O13 | PA3 | O33 | 111.5° | 109.5° |
| O15 | PA5 | O25 | 109.7° | 109.5° |
| O15 | PA5 | O35 | 104.7° | 109.5° |
| O15 | PA5 | O45 | 103.4° | 109.5° |
| C4 | O14 | PA4 | 124.5° | 123.0° |
| O14 | C4 | H4 | 110.7° | 109.5° |
| O25 | PA5 | O35 | 118.4° | 109.5° |
| O25 | PA5 | O45 | 114.8° | 109.4° |
| O43 | PA3 | O33 | 113.9° | 109.5° |
| PA3 | O43 | H15 | 109.5° | 113.9° |
| PA3 | O33 | H10 | 109.5° | 114.0° |
| O35 | PA5 | O45 | 104.4° | 109.5° |
| PA5 | O35 | H12 | 109.5° | 114.0° |
| PA5 | O45 | PB5 | 134.8° | 134.0° |
| O14 | PA4 | O24 | 104.1° | 109.5° |
| O14 | PA4 | O44 | 100.4° | 109.5° |
| O14 | PA4 | O34 | 103.4° | 109.5° |
| O65 | PB5 | O45 | 108.1° | 109.5° |
| O65 | PB5 | O55 | 111.4° | 109.5° |
| O65 | PB5 | O75 | 110.5° | 109.5° |
| O45 | PB5 | O55 | 103.3° | 109.5° |
| O45 | PB5 | O75 | 109.2° | 109.4° |
| O24 | PA4 | O44 | 114.9° | 109.5° |
| O24 | PA4 | O34 | 116.7° | 109.4° |
| O44 | PA4 | O34 | 114.4° | 109.5° |
| PA4 | O44 | H16 | 109.5° | 114.0° |
| O55 | PB5 | O75 | 113.8° | 109.4° |
| PB5 | O55 | H18 | 109.5° | 114.0° |
| PB5 | O75 | H19 | 109.5° | 114.0° |
| PA4 | O34 | H11 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | PA1 | O41 | O31 | 131.1° | 120.0° |
| O21 | PA1 | O41 | O11 | 111.0° | 120.0° |
| O21 | PA1 | O31 | O11 | 122.6° | 120.0° |
| O21 | PA1 | O11 | C1 | 132.8° | 55.0° |
| O21 | PA1 | O31 | H8 | 0.0° | 60.0° |
| O21 | PA1 | O41 | H14 | 163.0° | 180.0° |
| O41 | PA1 | O31 | O11 | 109.3° | 120.0° |
| O41 | PA1 | O11 | C1 | 113.9° | 65.0° |
| O41 | PA1 | O31 | H8 | 128.1° | 59.9° |
| O31 | PA1 | O11 | C1 | 5.4° | 175.0° |
| O31 | PA1 | O41 | H14 | 65.9° | 60.0° |
| PA1 | O11 | C1 | C2 | 134.9° | 120.0° |
| PA1 | O11 | C1 | C6 | 104.5° | 120.0° |
| PA1 | O11 | C1 | H1 | 15.7° | 0.0° |
| O11 | PA1 | O31 | H8 | 122.6° | 180.0° |
| O11 | PA1 | O41 | H14 | 52.0° | 60.0° |
| O42 | PA2 | O32 | O22 | 135.2° | 120.0° |
| O42 | PA2 | O32 | O12 | 106.9° | 120.0° |
| O42 | PA2 | O22 | O12 | 106.6° | 120.0° |
| O42 | PA2 | O12 | C2 | 132.2° | 55.0° |
| O42 | PA2 | O22 | H7 | 125.6° | 60.0° |
| O42 | PA2 | O32 | H9 | 0.0° | 180.0° |
| O26 | PA6 | O16 | O46 | 119.5° | 120.0° |
| O26 | PA6 | O16 | O36 | 121.7° | 120.0° |
| O26 | PA6 | O46 | O36 | 132.6° | 119.9° |
| O26 | PA6 | O16 | C6 | 92.3° | 55.0° |
| O26 | PA6 | O36 | H13 | 0.0° | 180.0° |
| O26 | PA6 | O46 | H17 | 0.0° | 59.9° |
| O11 | C1 | C2 | O12 | 67.1° | 60.0° |
| O11 | C1 | C2 | C6 | 119.1° | 120.0° |
| O11 | C1 | C2 | H1 | 120.0° | 120.0° |
| O11 | C1 | C6 | H1 | 120.8° | 120.0° |
| O11 | C1 | C6 | O16 | 70.2° | 60.0° |
| O11 | C1 | C2 | C3 | 173.8° | 180.0° |
| O11 | C1 | C6 | C5 | 171.8° | 180.0° |
| O11 | C1 | C2 | H2 | 53.1° | 60.0° |
| O11 | C1 | C6 | H6 | 50.1° | 60.0° |
| O32 | PA2 | O22 | O12 | 118.2° | 120.0° |
| O32 | PA2 | O12 | C2 | 14.4° | 65.0° |
| O32 | PA2 | O22 | H7 | 99.2° | 60.0° |
| O22 | PA2 | O12 | C2 | 110.1° | 175.0° |
| O22 | PA2 | O32 | H9 | 135.3° | 60.0° |
| PA2 | O12 | C2 | C1 | 129.7° | 120.0° |
| PA2 | O12 | C2 | C3 | 109.8° | 120.0° |
| PA2 | O12 | C2 | H2 | 10.5° | 0.0° |
| O12 | PA2 | O22 | H7 | 19.0° | 180.0° |
| O12 | PA2 | O32 | H9 | 106.9° | 60.0° |
| O12 | C2 | C1 | C3 | 119.1° | 120.0° |
| O12 | C2 | C1 | H2 | 120.3° | 120.0° |
| O12 | C2 | C1 | C6 | 173.8° | 180.0° |
| O12 | C2 | C3 | H2 | 121.3° | 120.0° |
| O12 | C2 | C3 | O13 | 64.4° | 60.0° |
| O12 | C2 | C3 | C4 | 176.8° | 180.0° |
| O12 | C2 | C1 | H1 | 52.8° | 60.0° |
| O12 | C2 | C3 | H3 | 57.4° | 60.0° |
| C2 | C1 | C6 | H1 | 120.9° | 120.0° |
| C2 | C1 | C6 | O16 | 171.6° | 180.0° |
| C1 | C2 | C3 | H2 | 120.6° | 120.0° |
| C2 | C1 | C6 | C5 | 53.5° | 60.0° |
| C1 | C2 | C3 | O13 | 177.6° | 180.0° |
| C1 | C2 | C3 | C4 | 58.8° | 60.0° |
| C1 | C2 | C3 | H3 | 60.7° | 60.0° |
| C2 | C1 | C6 | H6 | 68.2° | 60.0° |
| C1 | C6 | O16 | PA6 | 135.0° | 120.0° |
| C1 | C6 | O16 | C5 | 119.5° | 120.0° |
| C1 | C6 | O16 | H6 | 119.7° | 120.0° |
| C6 | C1 | C2 | C3 | 54.7° | 60.0° |
| C1 | C6 | C5 | H6 | 121.6° | 120.1° |
| C1 | C6 | C5 | O15 | 60.7° | 60.0° |
| C1 | C6 | C5 | C4 | 57.7° | 60.0° |
| C6 | C1 | C2 | H2 | 65.9° | 60.0° |
| C1 | C6 | C5 | H5 | 178.4° | 180.0° |
| O16 | PA6 | O46 | O36 | 113.5° | 120.0° |
| PA6 | O16 | C6 | C5 | 105.5° | 120.0° |
| PA6 | O16 | C6 | H6 | 15.3° | 0.0° |
| O16 | PA6 | O36 | H13 | 117.2° | 60.0° |
| O16 | PA6 | O46 | H17 | 114.0° | 180.0° |
| O46 | PA6 | O16 | C6 | 148.2° | 175.0° |
| O46 | PA6 | O36 | H13 | 132.8° | 60.0° |
| O36 | PA6 | O16 | C6 | 29.4° | 65.0° |
| O36 | PA6 | O46 | H17 | 132.5° | 60.0° |
| O16 | C6 | C5 | H6 | 121.3° | 119.9° |
| O16 | C6 | C5 | O15 | 56.4° | 60.0° |
| O16 | C6 | C5 | C4 | 174.8° | 180.0° |
| O16 | C6 | C1 | H1 | 50.7° | 60.0° |
| O16 | C6 | C5 | H5 | 64.5° | 60.0° |
| C2 | C3 | O13 | C4 | 119.2° | 120.0° |
| C2 | C3 | O13 | H3 | 120.9° | 120.1° |
| C2 | C3 | C4 | H3 | 119.5° | 120.0° |
| C2 | C3 | C4 | C5 | 61.3° | 60.0° |
| C2 | C3 | O13 | PA3 | 129.0° | 120.0° |
| C2 | C3 | C4 | O14 | 179.9° | 180.0° |
| C3 | C2 | C1 | H1 | 66.3° | 60.0° |
| C2 | C3 | C4 | H4 | 58.2° | 60.0° |
| C6 | C5 | C4 | C3 | 61.5° | 60.0° |
| C6 | C5 | O15 | C4 | 120.5° | 120.0° |
| C6 | C5 | O15 | H5 | 120.3° | 120.0° |
| C6 | C5 | C4 | H5 | 120.8° | 120.0° |
| C6 | C5 | O15 | PA5 | 120.7° | 120.0° |
| C6 | C5 | C4 | O14 | 179.1° | 180.0° |
| C5 | C6 | C1 | H1 | 67.4° | 59.9° |
| C6 | C5 | C4 | H4 | 58.0° | 60.0° |
| O13 | C3 | C4 | H3 | 120.8° | 119.9° |
| C3 | O13 | PA3 | O23 | 93.3° | 55.0° |
| O13 | C3 | C4 | C5 | 179.0° | 180.0° |
| O13 | C3 | C4 | O14 | 60.5° | 60.0° |
| C3 | O13 | PA3 | O43 | 148.8° | 65.0° |
| C3 | O13 | PA3 | O33 | 29.1° | 175.0° |
| O13 | C3 | C2 | H2 | 57.0° | 60.0° |
| O13 | C3 | C4 | H4 | 61.4° | 60.1° |
| C3 | C4 | C5 | O15 | 57.8° | 60.0° |
| C3 | C4 | C5 | O14 | 119.4° | 120.0° |
| C3 | C4 | C5 | H4 | 119.5° | 120.0° |
| C4 | C3 | O13 | PA3 | 111.8° | 120.0° |
| C3 | C4 | O14 | H4 | 121.3° | 120.0° |
| C3 | C4 | O14 | PA4 | 146.4° | 120.0° |
| C4 | C3 | C2 | H2 | 61.9° | 60.0° |
| C3 | C4 | C5 | H5 | 177.7° | 180.0° |
| O23 | PA3 | O13 | O43 | 117.8° | 120.0° |
| O23 | PA3 | O13 | O33 | 122.4° | 120.0° |
| O23 | PA3 | O43 | O33 | 138.4° | 120.0° |
| O23 | PA3 | O33 | H10 | 0.0° | 60.0° |
| O23 | PA3 | O43 | H15 | 0.0° | 180.0° |
| O15 | C5 | C4 | H5 | 119.9° | 120.0° |
| O15 | C5 | C4 | O14 | 61.6° | 60.0° |
| C5 | O15 | PA5 | O25 | 97.2° | 55.0° |
| C5 | O15 | PA5 | O35 | 134.8° | 65.0° |
| C5 | O15 | PA5 | O45 | 25.7° | 175.0° |
| O15 | C5 | C4 | H4 | 177.3° | 180.0° |
| O15 | C5 | C6 | H6 | 177.7° | 179.9° |
| C4 | C5 | O15 | PA5 | 118.8° | 120.0° |
| C5 | C4 | O14 | H4 | 120.5° | 120.0° |
| C5 | C4 | O14 | PA4 | 95.3° | 120.0° |
| C5 | C4 | C3 | H3 | 58.2° | 60.0° |
| C4 | C5 | C6 | H6 | 64.0° | 60.0° |
| O13 | PA3 | O43 | O33 | 117.9° | 120.0° |
| PA3 | O13 | C3 | H3 | 8.2° | 0.1° |
| O13 | PA3 | O33 | H10 | 111.7° | 180.0° |
| O13 | PA3 | O43 | H15 | 103.7° | 60.0° |
| O15 | PA5 | O25 | O35 | 120.0° | 120.0° |
| O15 | PA5 | O25 | O45 | 115.8° | 120.0° |
| O15 | PA5 | O35 | O45 | 108.3° | 120.0° |
| O15 | PA5 | O45 | PB5 | 127.8° | 165.0° |
| PA5 | O15 | C5 | H5 | 0.4° | 0.0° |
| O15 | PA5 | O35 | H12 | 122.5° | 60.0° |
| C4 | O14 | PA4 | O24 | 45.6° | 55.1° |
| C4 | O14 | PA4 | O44 | 73.7° | 65.0° |
| C4 | O14 | PA4 | O34 | 167.9° | 175.0° |
| O14 | C4 | C3 | H3 | 60.4° | 60.0° |
| O14 | C4 | C5 | H5 | 58.2° | 60.0° |
| O25 | PA5 | O35 | O45 | 129.1° | 120.0° |
| O25 | PA5 | O45 | PB5 | 8.4° | 45.1° |
| O25 | PA5 | O35 | H12 | 0.0° | 180.0° |
| O43 | PA3 | O33 | H10 | 138.3° | 60.0° |
| O33 | PA3 | O43 | H15 | 138.4° | 60.0° |
| O35 | PA5 | O45 | PB5 | 122.9° | 74.9° |
| PA5 | O45 | PB5 | O65 | 19.5° | 44.9° |
| PA5 | O45 | PB5 | O55 | 137.7° | 75.1° |
| PA5 | O45 | PB5 | O75 | 100.8° | 165.0° |
| O45 | PA5 | O35 | H12 | 129.1° | 60.0° |
| O14 | PA4 | O24 | O44 | 108.8° | 120.0° |
| O14 | PA4 | O24 | O34 | 113.2° | 120.0° |
| O14 | PA4 | O44 | O34 | 110.0° | 120.0° |
| PA4 | O14 | C4 | H4 | 25.1° | 0.0° |
| O14 | PA4 | O34 | H11 | 113.6° | 179.9° |
| O14 | PA4 | O44 | H16 | 111.1° | 60.1° |
| O65 | PB5 | O45 | O55 | 118.2° | 120.0° |
| O65 | PB5 | O45 | O75 | 120.3° | 120.0° |
| O65 | PB5 | O55 | O75 | 125.8° | 120.0° |
| O65 | PB5 | O55 | H18 | 0.0° | 180.0° |
| O65 | PB5 | O75 | H19 | 0.0° | 60.0° |
| O45 | PB5 | O55 | O75 | 118.3° | 119.9° |
| O45 | PB5 | O55 | H18 | 115.9° | 59.9° |
| O45 | PB5 | O75 | H19 | 118.9° | 180.0° |
| O24 | PA4 | O44 | O34 | 139.0° | 120.0° |
| O24 | PA4 | O34 | H11 | 0.0° | 60.0° |
| O24 | PA4 | O44 | H16 | 0.0° | 179.9° |
| O44 | PA4 | O34 | H11 | 138.2° | 60.0° |
| O55 | PB5 | O75 | H19 | 126.3° | 60.0° |
| O75 | PB5 | O55 | H18 | 125.8° | 60.0° |
| O34 | PA4 | O44 | H16 | 138.9° | 60.0° |
| H1 | C1 | C2 | H2 | 173.1° | 180.0° |
| H1 | C1 | C6 | H6 | 170.9° | 180.0° |
| H2 | C2 | C3 | H3 | 178.7° | 180.0° |
| H3 | C3 | C4 | H4 | 177.7° | 180.0° |
| H4 | C4 | C5 | H5 | 62.8° | 60.0° |
| H5 | C5 | C6 | H6 | 56.8° | 59.9° |
