I0P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | P1 | sing | 1.61Å | 1.51Å | |
| P1 | O41 | sing | 1.61Å | 1.51Å | |
| P1 | O31 | doub | 1.48Å | 1.50Å | |
| P1 | O11 | sing | 1.61Å | 1.62Å | |
| O11 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | C6 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C6 | O16 | sing | 1.43Å | 1.42Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| O16 | P6 | sing | 1.61Å | 1.61Å | |
| P6 | O46 | sing | 1.61Å | 1.51Å | |
| P6 | O26 | sing | 1.61Å | 1.51Å | |
| P6 | O36 | doub | 1.48Å | 1.50Å | |
| C5 | O15 | sing | 1.43Å | 1.42Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| O15 | P5 | sing | 1.61Å | 1.61Å | |
| P5 | O45 | doub | 1.48Å | 1.49Å | |
| P5 | O35 | sing | 1.61Å | 1.51Å | |
| P5 | O25 | sing | 1.61Å | 1.51Å | |
| C2 | O12 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | O13 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | O14 | sing | 1.43Å | 1.42Å | |
| O14 | P4 | sing | 1.61Å | 1.60Å | |
| P4 | O24 | doub | 1.48Å | 1.50Å | |
| P4 | O44 | sing | 1.61Å | 1.52Å | |
| P4 | O34 | sing | 1.61Å | 1.51Å | |
| O21 | H21 | sing | 0.97Å | 0.95Å | |
| O41 | H41 | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O46 | H46 | sing | 0.97Å | 0.95Å | |
| O26 | H26 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O35 | H35 | sing | 0.97Å | 0.95Å | |
| O25 | H25 | sing | 0.97Å | 0.95Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å | |
| O44 | H44 | sing | 0.97Å | 0.95Å | |
| O34 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | P1 | O41 | 114.9° | 109.5° |
| O21 | P1 | O31 | 114.5° | 109.5° |
| O21 | P1 | O11 | 102.7° | 109.5° |
| P1 | O21 | H21 | 109.5° | 114.0° |
| O41 | P1 | O31 | 112.1° | 109.5° |
| O41 | P1 | O11 | 106.2° | 109.4° |
| P1 | O41 | H41 | 109.5° | 114.0° |
| O31 | P1 | O11 | 105.2° | 109.5° |
| P1 | O11 | C1 | 119.4° | 123.0° |
| O11 | C1 | C6 | 111.0° | 109.5° |
| O11 | C1 | C2 | 109.7° | 109.5° |
| O11 | C1 | H1 | 108.6° | 109.5° |
| C6 | C1 | C2 | 110.7° | 109.5° |
| C1 | C6 | O16 | 106.9° | 109.5° |
| C1 | C6 | C5 | 109.3° | 109.5° |
| C6 | C1 | H1 | 107.6° | 109.4° |
| C1 | C6 | H6 | 111.3° | 109.5° |
| C1 | C2 | O12 | 108.0° | 109.5° |
| C1 | C2 | C3 | 111.0° | 109.5° |
| C2 | C1 | H1 | 109.0° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| O16 | C6 | C5 | 109.8° | 109.4° |
| C6 | O16 | P6 | 123.1° | 123.0° |
| O16 | C6 | H6 | 110.9° | 109.4° |
| C6 | C5 | O15 | 110.5° | 109.4° |
| C6 | C5 | C4 | 109.7° | 109.4° |
| C5 | C6 | H6 | 108.5° | 109.5° |
| C6 | C5 | H5 | 108.5° | 109.5° |
| O16 | P6 | O46 | 105.1° | 109.5° |
| O16 | P6 | O26 | 105.6° | 109.5° |
| O16 | P6 | O36 | 101.5° | 109.4° |
| O46 | P6 | O26 | 114.0° | 109.5° |
| O46 | P6 | O36 | 114.8° | 109.5° |
| P6 | O46 | H46 | 109.5° | 114.0° |
| O26 | P6 | O36 | 114.1° | 109.5° |
| P6 | O26 | H26 | 109.5° | 114.0° |
| O15 | C5 | C4 | 109.1° | 109.5° |
| C5 | O15 | P5 | 127.1° | 123.0° |
| O15 | C5 | H5 | 109.1° | 109.5° |
| C5 | C4 | C3 | 112.7° | 109.5° |
| C5 | C4 | O14 | 107.5° | 109.4° |
| C4 | C5 | H5 | 109.9° | 109.5° |
| C5 | C4 | H4 | 109.5° | 109.5° |
| O15 | P5 | O45 | 103.5° | 109.5° |
| O15 | P5 | O35 | 106.9° | 109.4° |
| O15 | P5 | O25 | 103.6° | 109.5° |
| O45 | P5 | O35 | 114.1° | 109.5° |
| O45 | P5 | O25 | 115.5° | 109.5° |
| O35 | P5 | O25 | 111.9° | 109.5° |
| P5 | O35 | H35 | 109.5° | 114.0° |
| P5 | O25 | H25 | 109.5° | 114.0° |
| O12 | C2 | C3 | 109.8° | 109.4° |
| O12 | C2 | H2 | 110.8° | 109.5° |
| C2 | O12 | H12 | 109.5° | 114.0° |
| C2 | C3 | O13 | 106.4° | 109.5° |
| C2 | C3 | C4 | 112.1° | 109.5° |
| C3 | C2 | H2 | 107.7° | 109.5° |
| C2 | C3 | H3 | 110.4° | 109.4° |
| O13 | C3 | C4 | 111.2° | 109.5° |
| O13 | C3 | H3 | 111.3° | 109.5° |
| C3 | O13 | H13 | 109.5° | 114.0° |
| C3 | C4 | O14 | 111.9° | 109.5° |
| C3 | C4 | H4 | 104.9° | 109.5° |
| C4 | C3 | H3 | 105.4° | 109.4° |
| C4 | O14 | P4 | 123.3° | 123.0° |
| O14 | C4 | H4 | 110.3° | 109.5° |
| O14 | P4 | O24 | 104.3° | 109.5° |
| O14 | P4 | O44 | 104.3° | 109.5° |
| O14 | P4 | O34 | 104.2° | 109.5° |
| O24 | P4 | O44 | 114.6° | 109.4° |
| O24 | P4 | O34 | 115.9° | 109.5° |
| O44 | P4 | O34 | 111.8° | 109.5° |
| P4 | O44 | H44 | 109.5° | 114.0° |
| P4 | O34 | H34 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | P1 | O41 | O31 | 132.9° | 120.1° |
| O21 | P1 | O41 | O11 | 112.7° | 120.0° |
| O21 | P1 | O31 | O11 | 111.9° | 120.0° |
| O21 | P1 | O11 | C1 | 170.6° | 175.0° |
| O21 | P1 | O41 | H41 | 132.9° | 59.9° |
| O41 | P1 | O31 | O11 | 115.0° | 119.9° |
| O41 | P1 | O11 | C1 | 68.5° | 65.0° |
| O41 | P1 | O21 | H21 | 131.8° | 60.1° |
| O31 | P1 | O11 | C1 | 50.5° | 55.0° |
| O31 | P1 | O21 | H21 | 0.0° | 60.0° |
| O31 | P1 | O41 | H41 | 0.0° | 180.0° |
| P1 | O11 | C1 | C6 | 135.3° | 120.0° |
| P1 | O11 | C1 | C2 | 101.9° | 120.0° |
| O11 | P1 | O21 | H21 | 113.4° | 180.0° |
| O11 | P1 | O41 | H41 | 114.4° | 60.1° |
| P1 | O11 | C1 | H1 | 17.1° | 0.0° |
| O11 | C1 | C6 | C2 | 122.2° | 120.0° |
| O11 | C1 | C6 | H1 | 118.8° | 120.0° |
| O11 | C1 | C2 | H1 | 118.9° | 120.0° |
| O11 | C1 | C6 | O16 | 57.2° | 60.0° |
| O11 | C1 | C6 | C5 | 175.9° | 180.0° |
| O11 | C1 | C2 | O12 | 59.5° | 60.1° |
| O11 | C1 | C2 | C3 | 180.0° | 180.0° |
| O11 | C1 | C6 | H6 | 64.2° | 60.0° |
| O11 | C1 | C2 | H2 | 61.2° | 59.9° |
| C6 | C1 | C2 | H1 | 118.2° | 120.0° |
| C1 | C6 | O16 | C5 | 118.5° | 120.0° |
| C1 | C6 | O16 | H6 | 121.5° | 120.0° |
| C1 | C6 | C5 | H6 | 121.6° | 120.0° |
| C1 | C6 | O16 | P6 | 123.9° | 120.0° |
| C1 | C6 | C5 | O15 | 179.7° | 180.0° |
| C1 | C6 | C5 | C4 | 60.0° | 60.0° |
| C6 | C1 | C2 | O12 | 63.4° | 60.0° |
| C6 | C1 | C2 | C3 | 57.0° | 60.0° |
| C6 | C1 | C2 | H2 | 175.9° | 180.0° |
| C1 | C6 | C5 | H5 | 60.1° | 60.0° |
| C2 | C1 | C6 | O16 | 179.3° | 180.0° |
| C2 | C1 | C6 | C5 | 61.9° | 60.0° |
| C1 | C2 | O12 | C3 | 121.2° | 120.0° |
| C1 | C2 | O12 | H2 | 119.9° | 120.0° |
| C1 | C2 | C3 | H2 | 119.9° | 120.1° |
| C1 | C2 | C3 | O13 | 172.7° | 180.0° |
| C1 | C2 | C3 | C4 | 50.9° | 59.9° |
| C2 | C1 | C6 | H6 | 58.0° | 60.0° |
| C1 | C2 | O12 | H12 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 66.4° | 60.0° |
| O16 | C6 | C5 | H6 | 121.4° | 120.0° |
| C6 | O16 | P6 | O46 | 62.3° | 65.0° |
| C6 | O16 | P6 | O26 | 58.5° | 175.0° |
| C6 | O16 | P6 | O36 | 177.8° | 55.0° |
| O16 | C6 | C5 | O15 | 62.7° | 60.0° |
| O16 | C6 | C5 | C4 | 177.0° | 180.0° |
| O16 | C6 | C1 | H1 | 61.7° | 60.0° |
| O16 | C6 | C5 | H5 | 56.9° | 60.0° |
| C5 | C6 | O16 | P6 | 117.6° | 120.0° |
| C6 | C5 | O15 | C4 | 120.7° | 120.0° |
| C6 | C5 | O15 | H5 | 119.2° | 120.0° |
| C6 | C5 | C4 | H5 | 119.2° | 120.0° |
| C6 | C5 | O15 | P5 | 107.6° | 120.1° |
| C6 | C5 | C4 | C3 | 54.9° | 60.0° |
| C6 | C5 | C4 | O14 | 178.7° | 180.0° |
| C5 | C6 | C1 | H1 | 57.1° | 60.0° |
| C6 | C5 | C4 | H4 | 61.4° | 60.0° |
| O16 | P6 | O46 | O26 | 115.2° | 120.0° |
| O16 | P6 | O46 | O36 | 110.6° | 120.0° |
| O16 | P6 | O26 | O36 | 110.5° | 120.0° |
| P6 | O16 | C6 | H6 | 2.3° | 0.0° |
| O16 | P6 | O46 | H46 | 110.6° | 60.0° |
| O16 | P6 | O26 | H26 | 110.5° | 180.0° |
| O46 | P6 | O26 | O36 | 134.6° | 120.0° |
| O46 | P6 | O26 | H26 | 134.6° | 60.0° |
| O26 | P6 | O46 | H46 | 134.2° | 60.0° |
| O36 | P6 | O46 | H46 | 0.0° | 180.0° |
| O36 | P6 | O26 | H26 | 0.0° | 60.0° |
| O15 | C5 | C4 | H5 | 119.6° | 120.0° |
| C5 | O15 | P5 | O45 | 119.6° | 54.9° |
| C5 | O15 | P5 | O35 | 1.1° | 65.1° |
| C5 | O15 | P5 | O25 | 119.5° | 174.9° |
| O15 | C5 | C4 | C3 | 176.1° | 180.0° |
| O15 | C5 | C4 | O14 | 60.1° | 60.0° |
| O15 | C5 | C6 | H6 | 58.7° | 60.0° |
| O15 | C5 | C4 | H4 | 59.8° | 59.9° |
| C4 | C5 | O15 | P5 | 131.7° | 120.0° |
| C5 | C4 | C3 | C2 | 50.6° | 60.0° |
| C5 | C4 | C3 | O13 | 169.6° | 180.0° |
| C5 | C4 | C3 | O14 | 121.3° | 120.0° |
| C5 | C4 | C3 | H4 | 119.1° | 120.0° |
| C5 | C4 | O14 | H4 | 119.4° | 120.0° |
| C5 | C4 | O14 | P4 | 150.8° | 120.0° |
| C4 | C5 | C6 | H6 | 61.6° | 60.0° |
| C5 | C4 | C3 | H3 | 69.6° | 60.0° |
| O15 | P5 | O45 | O35 | 115.8° | 120.0° |
| O15 | P5 | O45 | O25 | 112.5° | 120.0° |
| O15 | P5 | O35 | O25 | 112.8° | 120.0° |
| P5 | O15 | C5 | H5 | 11.6° | 0.1° |
| O15 | P5 | O35 | H35 | 113.8° | 60.0° |
| O15 | P5 | O25 | H25 | 112.4° | 179.9° |
| O45 | P5 | O35 | O25 | 133.5° | 120.0° |
| O45 | P5 | O35 | H35 | 0.0° | 180.0° |
| O45 | P5 | O25 | H25 | 0.0° | 60.1° |
| O35 | P5 | O25 | H25 | 132.8° | 60.0° |
| O25 | P5 | O35 | H35 | 133.5° | 60.0° |
| O12 | C2 | C3 | H2 | 120.7° | 120.0° |
| O12 | C2 | C3 | O13 | 53.4° | 60.0° |
| O12 | C2 | C3 | C4 | 68.5° | 60.0° |
| O12 | C2 | C1 | H1 | 178.4° | 180.0° |
| O12 | C2 | C3 | H3 | 174.3° | 180.0° |
| C2 | C3 | O13 | C4 | 122.4° | 120.0° |
| C2 | C3 | O13 | H3 | 120.3° | 120.0° |
| C2 | C3 | C4 | H3 | 120.2° | 120.0° |
| C2 | C3 | C4 | O14 | 171.9° | 180.0° |
| C3 | C2 | C1 | H1 | 61.2° | 60.0° |
| C2 | C3 | C4 | H4 | 68.5° | 60.0° |
| C3 | C2 | O12 | H12 | 58.8° | 60.1° |
| C2 | C3 | O13 | H13 | 180.0° | 60.0° |
| O13 | C3 | C4 | H3 | 120.8° | 120.0° |
| O13 | C3 | C4 | O14 | 69.1° | 60.0° |
| O13 | C3 | C2 | H2 | 67.4° | 59.9° |
| O13 | C3 | C4 | H4 | 50.5° | 60.0° |
| C3 | C4 | O14 | H4 | 116.4° | 120.0° |
| C3 | C4 | O14 | P4 | 85.0° | 120.0° |
| C4 | C3 | C2 | H2 | 170.8° | 180.0° |
| C3 | C4 | C5 | H5 | 64.3° | 60.0° |
| C4 | C3 | O13 | H13 | 57.6° | 180.0° |
| C4 | O14 | P4 | O24 | 46.9° | 55.0° |
| C4 | O14 | P4 | O44 | 73.7° | 175.0° |
| C4 | O14 | P4 | O34 | 168.9° | 65.0° |
| O14 | C4 | C5 | H5 | 59.5° | 60.0° |
| O14 | C4 | C3 | H3 | 51.7° | 60.0° |
| O14 | P4 | O24 | O44 | 113.5° | 120.0° |
| O14 | P4 | O24 | O34 | 113.9° | 120.0° |
| O14 | P4 | O44 | O34 | 112.0° | 120.0° |
| P4 | O14 | C4 | H4 | 31.4° | 0.0° |
| O14 | P4 | O44 | H44 | 113.5° | 180.0° |
| O14 | P4 | O34 | H34 | 114.0° | 60.0° |
| O24 | P4 | O44 | O34 | 134.5° | 120.0° |
| O24 | P4 | O44 | H44 | 0.0° | 60.0° |
| O24 | P4 | O34 | H34 | 0.0° | 180.0° |
| O44 | P4 | O34 | H34 | 133.9° | 60.0° |
| O34 | P4 | O44 | H44 | 134.5° | 60.0° |
| H1 | C1 | C6 | H6 | 177.0° | 180.0° |
| H1 | C1 | C2 | H2 | 57.7° | 60.1° |
| H6 | C6 | C5 | H5 | 178.3° | 179.9° |
| H2 | C2 | O12 | H12 | 60.1° | 60.0° |
| H2 | C2 | C3 | H3 | 53.6° | 60.1° |
| H5 | C5 | C4 | H4 | 179.4° | 180.0° |
| H4 | C4 | C3 | H3 | 171.3° | 180.0° |
| H3 | C3 | O13 | H13 | 59.7° | 60.0° |
