O81
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O35 | P5 | doub | 1.48Å | 1.58Å | |
| O44 | P4 | doub | 1.48Å | 1.60Å | |
| P5 | O45 | sing | 1.61Å | 1.56Å | |
| P5 | O25 | sing | 1.61Å | 1.45Å | |
| P5 | O15 | sing | 1.61Å | 1.62Å | |
| P4 | O24 | sing | 1.61Å | 1.50Å | |
| P4 | O34 | sing | 1.61Å | 1.60Å | |
| P4 | O14 | sing | 1.61Å | 1.65Å | |
| O15 | C5 | sing | 1.43Å | 1.39Å | |
| O14 | C4 | sing | 1.43Å | 1.36Å | |
| O36 | P6 | doub | 1.48Å | 1.57Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C4 | C3 | sing | 1.53Å | 1.49Å | |
| O16 | P6 | sing | 1.61Å | 1.56Å | |
| O16 | C6 | sing | 1.43Å | 1.39Å | |
| O43 | P3 | doub | 1.48Å | 1.56Å | |
| P6 | O26 | sing | 1.61Å | 1.52Å | |
| P6 | O46 | sing | 1.61Å | 1.55Å | |
| C6 | C1 | sing | 1.53Å | 1.50Å | |
| C3 | O13 | sing | 1.43Å | 1.39Å | |
| C3 | C2 | sing | 1.53Å | 1.49Å | |
| O13 | P3 | sing | 1.61Å | 1.58Å | |
| P3 | O23 | sing | 1.61Å | 1.53Å | |
| P3 | O33 | sing | 1.61Å | 1.60Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O11 | sing | 1.43Å | 1.38Å | |
| C2 | O12 | sing | 1.43Å | 1.40Å | |
| O12 | P2 | sing | 1.61Å | 1.62Å | |
| O21 | P1 | doub | 1.48Å | 1.57Å | |
| O11 | P1 | sing | 1.61Å | 1.61Å | |
| O42 | P2 | doub | 1.48Å | 1.63Å | |
| P2 | O32 | sing | 1.61Å | 1.63Å | |
| P2 | O22 | sing | 1.61Å | 1.50Å | |
| P1 | O31 | sing | 1.61Å | 1.44Å | |
| P1 | O41 | sing | 1.61Å | 1.54Å | |
| O47 | P7 | doub | 1.48Å | 1.55Å | |
| O41 | P7 | sing | 1.61Å | 1.59Å | |
| O37 | P7 | sing | 1.61Å | 1.58Å | |
| P7 | O27 | sing | 1.61Å | 1.49Å | |
| O27 | H1 | sing | 0.97Å | 0.95Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| O32 | H8 | sing | 0.97Å | 0.95Å | |
| O22 | H9 | sing | 0.97Å | 0.95Å | |
| O33 | H10 | sing | 0.97Å | 0.95Å | |
| O23 | H11 | sing | 0.97Å | 0.95Å | |
| O34 | H12 | sing | 0.97Å | 0.95Å | |
| O24 | H13 | sing | 0.97Å | 0.95Å | |
| O45 | H14 | sing | 0.97Å | 0.95Å | |
| O25 | H15 | sing | 0.97Å | 0.95Å | |
| O46 | H16 | sing | 0.97Å | 0.95Å | |
| O26 | H17 | sing | 0.97Å | 0.95Å | |
| O31 | H18 | sing | 0.97Å | 0.95Å | |
| O37 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O35 | P5 | O45 | 105.6° | 109.5° |
| O35 | P5 | O25 | 117.3° | 109.5° |
| O35 | P5 | O15 | 105.8° | 109.4° |
| O44 | P4 | O24 | 117.0° | 109.5° |
| O44 | P4 | O34 | 106.2° | 109.5° |
| O44 | P4 | O14 | 105.7° | 109.5° |
| O45 | P5 | O25 | 109.4° | 109.5° |
| O45 | P5 | O15 | 106.6° | 109.5° |
| P5 | O45 | H14 | 109.5° | 114.0° |
| O25 | P5 | O15 | 111.5° | 109.5° |
| P5 | O25 | H15 | 109.5° | 114.0° |
| P5 | O15 | C5 | 121.8° | 123.0° |
| O24 | P4 | O34 | 109.2° | 109.5° |
| O24 | P4 | O14 | 113.0° | 109.5° |
| P4 | O24 | H13 | 109.5° | 114.0° |
| O34 | P4 | O14 | 105.0° | 109.5° |
| P4 | O34 | H12 | 109.5° | 114.0° |
| P4 | O14 | C4 | 120.9° | 123.0° |
| O15 | C5 | C4 | 106.7° | 109.5° |
| O15 | C5 | C6 | 111.9° | 109.5° |
| O15 | C5 | H2 | 110.9° | 109.5° |
| O14 | C4 | C5 | 103.9° | 109.5° |
| O14 | C4 | C3 | 110.4° | 109.5° |
| O14 | C4 | H4 | 113.0° | 109.4° |
| O36 | P6 | O16 | 98.2° | 109.5° |
| O36 | P6 | O26 | 117.2° | 109.5° |
| O36 | P6 | O46 | 108.0° | 109.5° |
| C4 | C5 | C6 | 109.0° | 109.5° |
| C5 | C4 | C3 | 107.7° | 109.5° |
| C4 | C5 | H2 | 109.1° | 109.4° |
| C5 | C4 | H4 | 110.6° | 109.5° |
| C5 | C6 | O16 | 104.3° | 109.5° |
| C5 | C6 | C1 | 112.8° | 109.5° |
| C6 | C5 | H2 | 109.2° | 109.5° |
| C5 | C6 | H3 | 109.9° | 109.5° |
| C4 | C3 | O13 | 107.0° | 109.5° |
| C4 | C3 | C2 | 115.7° | 109.5° |
| C3 | C4 | H4 | 110.9° | 109.5° |
| C4 | C3 | H5 | 109.0° | 109.5° |
| P6 | O16 | C6 | 120.6° | 123.0° |
| O16 | P6 | O26 | 109.6° | 109.5° |
| O16 | P6 | O46 | 107.6° | 109.5° |
| O16 | C6 | C1 | 108.4° | 109.5° |
| O16 | C6 | H3 | 111.5° | 109.5° |
| O43 | P3 | O13 | 103.0° | 109.5° |
| O43 | P3 | O23 | 115.6° | 109.5° |
| O43 | P3 | O33 | 108.8° | 109.5° |
| O26 | P6 | O46 | 114.7° | 109.5° |
| P6 | O26 | H17 | 109.5° | 114.0° |
| P6 | O46 | H16 | 109.5° | 114.0° |
| C6 | C1 | C2 | 107.9° | 109.5° |
| C6 | C1 | O11 | 111.1° | 109.5° |
| C1 | C6 | H3 | 109.9° | 109.4° |
| C6 | C1 | H7 | 108.9° | 109.4° |
| O13 | C3 | C2 | 105.3° | 109.5° |
| C3 | O13 | P3 | 117.5° | 123.0° |
| O13 | C3 | H5 | 110.5° | 109.4° |
| C3 | C2 | C1 | 104.7° | 109.5° |
| C3 | C2 | O12 | 107.7° | 109.4° |
| C2 | C3 | H5 | 109.2° | 109.5° |
| C3 | C2 | H6 | 110.7° | 109.5° |
| O13 | P3 | O23 | 105.5° | 109.4° |
| O13 | P3 | O33 | 109.9° | 109.5° |
| O23 | P3 | O33 | 113.5° | 109.4° |
| P3 | O23 | H11 | 109.5° | 114.0° |
| P3 | O33 | H10 | 109.5° | 114.0° |
| C2 | C1 | O11 | 109.7° | 109.5° |
| C1 | C2 | O12 | 111.1° | 109.5° |
| C1 | C2 | H6 | 110.3° | 109.5° |
| C2 | C1 | H7 | 108.6° | 109.5° |
| C1 | O11 | P1 | 117.3° | 123.0° |
| O11 | C1 | H7 | 110.6° | 109.5° |
| C2 | O12 | P2 | 124.2° | 123.0° |
| O12 | C2 | H6 | 112.1° | 109.5° |
| O12 | P2 | O42 | 108.3° | 109.5° |
| O12 | P2 | O32 | 107.1° | 109.5° |
| O12 | P2 | O22 | 111.8° | 109.5° |
| O21 | P1 | O11 | 111.8° | 109.5° |
| O21 | P1 | O31 | 112.9° | 109.5° |
| O21 | P1 | O41 | 113.6° | 109.5° |
| O11 | P1 | O31 | 111.2° | 109.5° |
| O11 | P1 | O41 | 101.6° | 109.5° |
| O42 | P2 | O32 | 110.8° | 109.5° |
| O42 | P2 | O22 | 113.3° | 109.4° |
| O32 | P2 | O22 | 105.4° | 109.5° |
| P2 | O32 | H8 | 109.5° | 114.0° |
| P2 | O22 | H9 | 109.5° | 114.0° |
| O31 | P1 | O41 | 105.1° | 109.5° |
| P1 | O31 | H18 | 109.5° | 114.0° |
| P1 | O41 | P7 | 133.0° | 134.0° |
| O47 | P7 | O41 | 106.8° | 109.5° |
| O47 | P7 | O37 | 114.9° | 109.5° |
| O47 | P7 | O27 | 113.1° | 109.5° |
| O41 | P7 | O37 | 101.8° | 109.5° |
| O41 | P7 | O27 | 103.7° | 109.5° |
| O37 | P7 | O27 | 114.9° | 109.4° |
| P7 | O37 | H19 | 109.5° | 114.0° |
| P7 | O27 | H1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O35 | P5 | O45 | O25 | 127.1° | 120.0° |
| O35 | P5 | O45 | O15 | 112.2° | 120.0° |
| O35 | P5 | O25 | O15 | 122.2° | 119.9° |
| O35 | P5 | O15 | C5 | 142.5° | 55.1° |
| O35 | P5 | O45 | H14 | 164.5° | 180.0° |
| O35 | P5 | O25 | H15 | 0.0° | 60.0° |
| O44 | P4 | O24 | O34 | 120.5° | 120.0° |
| O44 | P4 | O24 | O14 | 123.1° | 120.0° |
| O44 | P4 | O34 | O14 | 111.7° | 120.0° |
| O44 | P4 | O14 | C4 | 142.4° | 55.0° |
| O44 | P4 | O34 | H12 | 127.1° | 60.0° |
| O44 | P4 | O24 | H13 | 0.0° | 180.0° |
| O45 | P5 | O25 | O15 | 117.7° | 120.0° |
| O45 | P5 | O15 | C5 | 105.5° | 64.9° |
| O45 | P5 | O25 | H15 | 120.2° | 60.0° |
| O25 | P5 | O15 | C5 | 13.9° | 175.0° |
| O25 | P5 | O45 | H14 | 68.4° | 60.0° |
| P5 | O15 | C5 | C4 | 133.3° | 120.0° |
| P5 | O15 | C5 | C6 | 107.6° | 120.0° |
| P5 | O15 | C5 | H2 | 14.6° | 0.1° |
| O15 | P5 | O45 | H14 | 52.3° | 60.0° |
| O15 | P5 | O25 | H15 | 122.1° | 179.9° |
| O24 | P4 | O34 | O14 | 121.4° | 120.0° |
| O24 | P4 | O14 | C4 | 13.2° | 64.9° |
| O24 | P4 | O34 | H12 | 106.0° | 60.0° |
| O34 | P4 | O14 | C4 | 105.6° | 175.0° |
| O34 | P4 | O24 | H13 | 120.5° | 60.0° |
| P4 | O14 | C4 | C5 | 143.3° | 120.0° |
| P4 | O14 | C4 | C3 | 101.5° | 120.0° |
| P4 | O14 | C4 | H4 | 23.3° | 0.0° |
| O14 | P4 | O34 | H12 | 15.4° | 180.0° |
| O14 | P4 | O24 | H13 | 123.1° | 60.0° |
| O15 | C5 | C4 | O14 | 68.8° | 60.0° |
| O15 | C5 | C4 | C6 | 121.0° | 120.0° |
| O15 | C5 | C4 | H2 | 119.8° | 120.0° |
| O15 | C5 | C6 | H2 | 123.2° | 120.0° |
| O15 | C5 | C4 | C3 | 174.2° | 180.0° |
| O15 | C5 | C6 | O16 | 66.3° | 60.0° |
| O15 | C5 | C6 | C1 | 176.4° | 180.0° |
| O15 | C5 | C6 | H3 | 53.4° | 60.0° |
| O15 | C5 | C4 | H4 | 52.9° | 60.0° |
| O14 | C4 | C5 | C3 | 117.1° | 120.0° |
| O14 | C4 | C5 | H4 | 121.6° | 120.0° |
| O14 | C4 | C5 | C6 | 170.2° | 180.0° |
| O14 | C4 | C3 | H4 | 126.0° | 120.0° |
| O14 | C4 | C3 | O13 | 70.3° | 60.0° |
| O14 | C4 | C3 | C2 | 172.7° | 180.0° |
| O14 | C4 | C5 | H2 | 51.0° | 60.0° |
| O14 | C4 | C3 | H5 | 49.2° | 60.0° |
| O36 | P6 | O16 | O26 | 122.8° | 120.0° |
| O36 | P6 | O16 | O46 | 111.9° | 120.0° |
| O36 | P6 | O16 | C6 | 140.9° | 55.0° |
| O36 | P6 | O26 | O46 | 128.2° | 120.0° |
| O36 | P6 | O46 | H16 | 0.0° | 60.0° |
| O36 | P6 | O26 | H17 | 0.0° | 180.0° |
| C4 | C5 | C6 | H2 | 119.1° | 120.0° |
| C5 | C4 | C3 | H4 | 121.2° | 120.0° |
| C4 | C5 | C6 | O16 | 176.0° | 180.0° |
| C4 | C5 | C6 | C1 | 58.6° | 60.0° |
| C5 | C4 | C3 | O13 | 176.9° | 180.0° |
| C5 | C4 | C3 | C2 | 59.9° | 60.0° |
| C4 | C5 | C6 | H3 | 64.3° | 60.0° |
| C5 | C4 | C3 | H5 | 63.6° | 60.0° |
| C6 | C5 | C4 | C3 | 53.2° | 60.0° |
| C5 | C6 | O16 | P6 | 128.3° | 120.0° |
| C5 | C6 | O16 | C1 | 120.3° | 120.0° |
| C5 | C6 | O16 | H3 | 118.6° | 120.0° |
| C5 | C6 | C1 | H3 | 123.0° | 120.0° |
| C5 | C6 | C1 | C2 | 62.8° | 60.0° |
| C5 | C6 | C1 | O11 | 176.9° | 180.0° |
| C6 | C5 | C4 | H4 | 68.1° | 60.0° |
| C5 | C6 | C1 | H7 | 54.9° | 60.0° |
| C4 | C3 | O13 | C2 | 123.7° | 120.0° |
| C4 | C3 | O13 | H5 | 118.6° | 120.0° |
| C4 | C3 | C2 | H5 | 123.5° | 120.0° |
| C4 | C3 | O13 | P3 | 135.5° | 120.0° |
| C4 | C3 | C2 | C1 | 62.9° | 60.0° |
| C4 | C3 | C2 | O12 | 55.4° | 60.0° |
| C3 | C4 | C5 | H2 | 66.0° | 60.0° |
| C4 | C3 | C2 | H6 | 178.3° | 180.0° |
| O16 | P6 | O26 | O46 | 121.1° | 120.0° |
| P6 | O16 | C6 | C1 | 111.3° | 120.0° |
| P6 | O16 | C6 | H3 | 9.8° | 0.0° |
| O16 | P6 | O46 | H16 | 105.1° | 180.0° |
| O16 | P6 | O26 | H17 | 110.7° | 60.0° |
| C6 | O16 | P6 | O26 | 18.1° | 65.0° |
| C6 | O16 | P6 | O46 | 107.2° | 175.0° |
| O16 | C6 | C1 | H3 | 122.1° | 120.0° |
| O16 | C6 | C1 | C2 | 177.7° | 180.0° |
| O16 | C6 | C1 | O11 | 62.0° | 60.0° |
| O16 | C6 | C5 | H2 | 56.9° | 60.0° |
| O16 | C6 | C1 | H7 | 60.0° | 60.0° |
| O43 | P3 | O13 | C3 | 71.8° | 55.0° |
| O43 | P3 | O13 | O23 | 121.6° | 120.0° |
| O43 | P3 | O13 | O33 | 115.8° | 120.1° |
| O43 | P3 | O23 | O33 | 126.6° | 120.0° |
| O43 | P3 | O33 | H10 | 0.0° | 60.0° |
| O43 | P3 | O23 | H11 | 0.0° | 180.0° |
| O26 | P6 | O46 | H16 | 132.7° | 60.0° |
| O46 | P6 | O26 | H17 | 128.2° | 60.0° |
| C6 | C1 | C2 | C3 | 60.2° | 60.0° |
| C6 | C1 | C2 | O11 | 121.2° | 120.0° |
| C6 | C1 | C2 | H7 | 117.9° | 119.9° |
| C6 | C1 | O11 | H7 | 121.0° | 120.0° |
| C6 | C1 | C2 | O12 | 55.8° | 60.0° |
| C6 | C1 | O11 | P1 | 123.5° | 120.0° |
| C1 | C6 | C5 | H2 | 60.5° | 60.0° |
| C6 | C1 | C2 | H6 | 179.3° | 180.0° |
| O13 | C3 | C2 | H5 | 118.6° | 120.0° |
| C3 | O13 | P3 | O23 | 166.6° | 65.0° |
| C3 | O13 | P3 | O33 | 43.9° | 175.0° |
| O13 | C3 | C2 | C1 | 179.2° | 180.0° |
| O13 | C3 | C2 | O12 | 62.5° | 60.0° |
| O13 | C3 | C4 | H4 | 55.7° | 60.0° |
| O13 | C3 | C2 | H6 | 60.4° | 60.0° |
| C2 | C3 | O13 | P3 | 100.8° | 120.0° |
| C3 | C2 | C1 | O12 | 116.0° | 120.0° |
| C3 | C2 | C1 | H6 | 119.2° | 120.0° |
| C3 | C2 | C1 | O11 | 178.7° | 180.0° |
| C3 | C2 | O12 | H6 | 122.0° | 120.0° |
| C3 | C2 | O12 | P2 | 131.2° | 120.0° |
| C2 | C3 | C4 | H4 | 61.3° | 60.1° |
| C3 | C2 | C1 | H7 | 57.7° | 60.0° |
| O13 | P3 | O23 | O33 | 120.4° | 120.0° |
| P3 | O13 | C3 | H5 | 17.0° | 0.0° |
| O13 | P3 | O33 | H10 | 112.1° | 180.0° |
| O13 | P3 | O23 | H11 | 113.0° | 60.0° |
| O23 | P3 | O33 | H10 | 130.1° | 60.0° |
| O33 | P3 | O23 | H11 | 126.6° | 60.0° |
| C2 | C1 | O11 | H7 | 119.8° | 120.0° |
| C1 | C2 | O12 | H6 | 123.9° | 120.0° |
| C1 | C2 | O12 | P2 | 114.7° | 120.0° |
| C2 | C1 | O11 | P1 | 117.3° | 120.0° |
| C2 | C1 | C6 | H3 | 60.2° | 60.0° |
| C1 | C2 | C3 | H5 | 60.6° | 60.0° |
| O11 | C1 | C2 | O12 | 65.4° | 60.0° |
| C1 | O11 | P1 | O21 | 70.1° | 55.0° |
| C1 | O11 | P1 | O31 | 57.1° | 65.0° |
| C1 | O11 | P1 | O41 | 168.5° | 175.0° |
| O11 | C1 | C6 | H3 | 60.1° | 60.0° |
| O11 | C1 | C2 | H6 | 59.5° | 60.0° |
| C2 | O12 | P2 | O42 | 97.3° | 55.0° |
| C2 | O12 | P2 | O32 | 143.2° | 175.0° |
| C2 | O12 | P2 | O22 | 28.2° | 65.0° |
| O12 | C2 | C3 | H5 | 178.9° | 180.0° |
| O12 | C2 | C1 | H7 | 173.6° | 180.0° |
| O12 | P2 | O42 | O32 | 117.2° | 120.0° |
| O12 | P2 | O42 | O22 | 124.7° | 120.0° |
| O12 | P2 | O32 | O22 | 119.2° | 120.0° |
| P2 | O12 | C2 | H6 | 9.1° | 0.0° |
| O12 | P2 | O32 | H8 | 118.0° | 180.0° |
| O12 | P2 | O22 | H9 | 122.8° | 60.1° |
| O21 | P1 | O11 | O31 | 127.1° | 120.0° |
| O21 | P1 | O11 | O41 | 121.4° | 120.0° |
| O21 | P1 | O31 | O41 | 124.3° | 120.0° |
| O21 | P1 | O41 | P7 | 25.0° | 45.1° |
| O21 | P1 | O31 | H18 | 0.0° | 180.0° |
| O11 | P1 | O31 | O41 | 109.2° | 120.0° |
| O11 | P1 | O41 | P7 | 95.2° | 165.0° |
| P1 | O11 | C1 | H7 | 2.5° | 0.1° |
| O11 | P1 | O31 | H18 | 126.6° | 60.0° |
| O42 | P2 | O32 | O22 | 122.9° | 120.0° |
| O42 | P2 | O32 | H8 | 0.0° | 60.0° |
| O42 | P2 | O22 | H9 | 0.0° | 180.0° |
| O32 | P2 | O22 | H9 | 121.3° | 60.0° |
| O22 | P2 | O32 | H8 | 122.9° | 59.9° |
| O31 | P1 | O41 | P7 | 148.9° | 75.0° |
| P1 | O41 | P7 | O47 | 17.1° | 44.9° |
| P1 | O41 | P7 | O37 | 103.7° | 165.0° |
| P1 | O41 | P7 | O27 | 136.8° | 75.1° |
| O41 | P1 | O31 | H18 | 124.2° | 60.0° |
| O47 | P7 | O41 | O37 | 120.8° | 120.0° |
| O47 | P7 | O41 | O27 | 119.7° | 120.0° |
| O47 | P7 | O37 | O27 | 133.8° | 120.0° |
| O47 | P7 | O27 | H1 | 0.0° | 180.0° |
| O47 | P7 | O37 | H19 | 0.0° | 60.0° |
| O41 | P7 | O37 | O27 | 111.3° | 120.0° |
| O41 | P7 | O27 | H1 | 115.3° | 59.9° |
| O41 | P7 | O37 | H19 | 114.9° | 179.9° |
| O37 | P7 | O27 | H1 | 134.6° | 60.0° |
| O27 | P7 | O37 | H19 | 133.8° | 60.0° |
| H2 | C5 | C6 | H3 | 176.5° | 180.0° |
| H2 | C5 | C4 | H4 | 172.7° | 180.0° |
| H3 | C6 | C1 | H7 | 177.9° | 180.0° |
| H4 | C4 | C3 | H5 | 175.2° | 179.9° |
| H5 | C3 | C2 | H6 | 58.3° | 60.0° |
| H6 | C2 | C1 | H7 | 61.5° | 60.0° |
