A1I43
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | P01 | doub | 1.48Å | 1.52Å | |
| O31 | P01 | sing | 1.61Å | 1.51Å | |
| P01 | O11 | sing | 1.61Å | 1.52Å | |
| P01 | O12 | sing | 1.61Å | 1.63Å | |
| O32 | P02 | doub | 1.48Å | 1.48Å | |
| O12 | P02 | sing | 1.61Å | 1.60Å | |
| P02 | O22 | sing | 1.61Å | 1.48Å | |
| P02 | O13 | sing | 1.61Å | 1.60Å | |
| O23 | P03 | doub | 1.48Å | 1.48Å | |
| O13 | P03 | sing | 1.61Å | 1.60Å | |
| P03 | O14 | sing | 1.61Å | 1.60Å | |
| P03 | O33 | sing | 1.61Å | 1.48Å | |
| O14 | P04 | sing | 1.61Å | 1.60Å | |
| O34 | P04 | doub | 1.48Å | 1.48Å | |
| P04 | O15 | sing | 1.61Å | 1.60Å | |
| P04 | O24 | sing | 1.61Å | 1.48Å | |
| O15 | P05 | sing | 1.61Å | 1.60Å | |
| O25 | P05 | doub | 1.48Å | 1.48Å | |
| P05 | O35 | sing | 1.61Å | 1.48Å | |
| P05 | O16 | sing | 1.61Å | 1.60Å | |
| O16 | P06 | sing | 1.61Å | 1.60Å | |
| P06 | O26 | doub | 1.48Å | 1.48Å | |
| P06 | O36 | sing | 1.61Å | 1.48Å | |
| P06 | O17 | sing | 1.61Å | 1.60Å | |
| O17 | P07 | sing | 1.61Å | 1.60Å | |
| O27 | P07 | doub | 1.48Å | 1.48Å | |
| P07 | O18 | sing | 1.61Å | 1.60Å | |
| P07 | O37 | sing | 1.61Å | 1.48Å | |
| O18 | P08 | sing | 1.61Å | 1.60Å | |
| O38 | P08 | doub | 1.48Å | 1.48Å | |
| P08 | O28 | sing | 1.61Å | 1.48Å | |
| P08 | O19 | sing | 1.61Å | 1.60Å | |
| O39 | P09 | doub | 1.48Å | 1.48Å | |
| O29 | P09 | sing | 1.61Å | 1.48Å | |
| O19 | P09 | sing | 1.61Å | 1.60Å | |
| P09 | O40 | sing | 1.61Å | 1.60Å | |
| O60 | P10 | doub | 1.48Å | 1.48Å | |
| O40 | P10 | sing | 1.61Å | 1.60Å | |
| P10 | O41 | sing | 1.61Å | 1.60Å | |
| P10 | O50 | sing | 1.61Å | 1.48Å | |
| O61 | P11 | doub | 1.48Å | 1.48Å | |
| O41 | P11 | sing | 1.61Å | 1.60Å | |
| P11 | O42 | sing | 1.61Å | 1.60Å | |
| P11 | O51 | sing | 1.61Å | 1.48Å | |
| O42 | P12 | sing | 1.61Å | 1.63Å | |
| O62 | P12 | doub | 1.48Å | 1.52Å | |
| P12 | O52 | sing | 1.61Å | 1.52Å | |
| P12 | O43 | sing | 1.61Å | 1.51Å | |
| O22 | H1 | sing | 0.97Å | 0.95Å | |
| O33 | H2 | sing | 0.97Å | 0.95Å | |
| O24 | H3 | sing | 0.97Å | 0.95Å | |
| O35 | H4 | sing | 0.97Å | 0.95Å | |
| O36 | H5 | sing | 0.97Å | 0.95Å | |
| O37 | H6 | sing | 0.97Å | 0.95Å | |
| O28 | H7 | sing | 0.97Å | 0.95Å | |
| O29 | H8 | sing | 0.97Å | 0.95Å | |
| O50 | H9 | sing | 0.97Å | 0.95Å | |
| O51 | H10 | sing | 0.97Å | 0.95Å | |
| O52 | H11 | sing | 0.97Å | 0.95Å | |
| O43 | H12 | sing | 0.97Å | 0.95Å | |
| O11 | H13 | sing | 0.97Å | 0.95Å | |
| O31 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | P01 | O31 | 113.1° | 109.5° |
| O21 | P01 | O11 | 112.6° | 109.5° |
| O21 | P01 | O12 | 105.6° | 109.5° |
| O31 | P01 | O11 | 113.1° | 109.5° |
| O31 | P01 | O12 | 105.9° | 109.5° |
| P01 | O31 | H14 | 109.5° | 114.0° |
| O11 | P01 | O12 | 105.8° | 109.5° |
| P01 | O11 | H13 | 109.5° | 114.0° |
| P01 | O12 | P02 | 136.1° | 134.0° |
| O32 | P02 | O12 | 108.8° | 109.5° |
| O32 | P02 | O22 | 119.1° | 109.5° |
| O32 | P02 | O13 | 108.9° | 109.5° |
| O12 | P02 | O22 | 108.9° | 109.5° |
| O12 | P02 | O13 | 100.5° | 109.5° |
| O22 | P02 | O13 | 109.1° | 109.5° |
| P02 | O22 | H1 | 109.5° | 114.0° |
| P02 | O13 | P03 | 132.7° | 134.0° |
| O23 | P03 | O13 | 108.9° | 109.5° |
| O23 | P03 | O14 | 108.8° | 109.5° |
| O23 | P03 | O33 | 119.2° | 109.5° |
| O13 | P03 | O14 | 100.5° | 109.5° |
| O13 | P03 | O33 | 108.8° | 109.4° |
| O14 | P03 | O33 | 109.0° | 109.4° |
| P03 | O14 | P04 | 132.6° | 134.0° |
| P03 | O33 | H2 | 109.5° | 114.0° |
| O14 | P04 | O34 | 108.9° | 109.5° |
| O14 | P04 | O15 | 100.5° | 109.5° |
| O14 | P04 | O24 | 109.1° | 109.5° |
| O34 | P04 | O15 | 108.8° | 109.5° |
| O34 | P04 | O24 | 119.1° | 109.5° |
| O15 | P04 | O24 | 108.9° | 109.5° |
| P04 | O15 | P05 | 134.3° | 134.0° |
| P04 | O24 | H3 | 109.5° | 114.0° |
| O15 | P05 | O25 | 108.6° | 109.5° |
| O15 | P05 | O35 | 109.1° | 109.5° |
| O15 | P05 | O16 | 100.8° | 109.5° |
| O25 | P05 | O35 | 119.0° | 109.5° |
| O25 | P05 | O16 | 108.9° | 109.4° |
| O35 | P05 | O16 | 108.8° | 109.5° |
| P05 | O35 | H4 | 109.5° | 114.0° |
| P05 | O16 | P06 | 132.4° | 134.0° |
| O16 | P06 | O26 | 108.7° | 109.5° |
| O16 | P06 | O36 | 109.1° | 109.5° |
| O16 | P06 | O17 | 100.8° | 109.5° |
| O26 | P06 | O36 | 119.3° | 109.5° |
| O26 | P06 | O17 | 108.4° | 109.5° |
| O36 | P06 | O17 | 108.9° | 109.4° |
| P06 | O36 | H5 | 109.5° | 114.0° |
| P06 | O17 | P07 | 132.5° | 134.0° |
| O17 | P07 | O27 | 108.8° | 109.5° |
| O17 | P07 | O18 | 100.4° | 109.5° |
| O17 | P07 | O37 | 109.0° | 109.5° |
| O27 | P07 | O18 | 108.8° | 109.5° |
| O27 | P07 | O37 | 119.1° | 109.4° |
| O18 | P07 | O37 | 109.0° | 109.5° |
| P07 | O18 | P08 | 132.4° | 134.0° |
| P07 | O37 | H6 | 109.5° | 114.0° |
| O18 | P08 | O38 | 108.8° | 109.5° |
| O18 | P08 | O28 | 109.0° | 109.4° |
| O18 | P08 | O19 | 100.4° | 109.5° |
| O38 | P08 | O28 | 119.2° | 109.5° |
| O38 | P08 | O19 | 109.0° | 109.5° |
| O28 | P08 | O19 | 108.9° | 109.5° |
| P08 | O28 | H7 | 109.5° | 114.0° |
| P08 | O19 | P09 | 132.6° | 134.0° |
| O39 | P09 | O29 | 119.0° | 109.5° |
| O39 | P09 | O19 | 109.1° | 109.5° |
| O39 | P09 | O40 | 109.0° | 109.4° |
| O29 | P09 | O19 | 108.8° | 109.5° |
| O29 | P09 | O40 | 108.8° | 109.5° |
| P09 | O29 | H8 | 109.5° | 114.0° |
| O19 | P09 | O40 | 100.5° | 109.5° |
| P09 | O40 | P10 | 132.8° | 134.1° |
| O60 | P10 | O40 | 109.1° | 109.5° |
| O60 | P10 | O41 | 109.2° | 109.5° |
| O60 | P10 | O50 | 119.1° | 109.5° |
| O40 | P10 | O41 | 100.3° | 109.5° |
| O40 | P10 | O50 | 108.7° | 109.4° |
| O41 | P10 | O50 | 108.8° | 109.5° |
| P10 | O41 | P11 | 132.3° | 134.0° |
| P10 | O50 | H9 | 109.5° | 114.0° |
| O61 | P11 | O41 | 108.8° | 109.5° |
| O61 | P11 | O42 | 108.8° | 109.5° |
| O61 | P11 | O51 | 119.3° | 109.4° |
| O41 | P11 | O42 | 100.2° | 109.5° |
| O41 | P11 | O51 | 109.1° | 109.5° |
| O42 | P11 | O51 | 109.0° | 109.5° |
| P11 | O42 | P12 | 136.3° | 134.0° |
| P11 | O51 | H10 | 109.5° | 114.0° |
| O42 | P12 | O62 | 104.3° | 109.5° |
| O42 | P12 | O52 | 104.3° | 109.5° |
| O42 | P12 | O43 | 109.2° | 109.5° |
| O62 | P12 | O52 | 112.6° | 109.5° |
| O62 | P12 | O43 | 112.8° | 109.4° |
| O52 | P12 | O43 | 112.8° | 109.4° |
| P12 | O52 | H11 | 109.5° | 114.0° |
| P12 | O43 | H12 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | P01 | O31 | O11 | 129.5° | 120.0° |
| O21 | P01 | O31 | O12 | 115.1° | 120.0° |
| O21 | P01 | O11 | O12 | 114.9° | 120.0° |
| O21 | P01 | O12 | P02 | 69.3° | 40.0° |
| O21 | P01 | O11 | H13 | 0.0° | 180.0° |
| O21 | P01 | O31 | H14 | 0.0° | 60.0° |
| O31 | P01 | O11 | O12 | 115.4° | 120.0° |
| O31 | P01 | O12 | P02 | 50.8° | 160.0° |
| O31 | P01 | O11 | H13 | 129.7° | 60.0° |
| O11 | P01 | O12 | P02 | 171.1° | 80.0° |
| O11 | P01 | O31 | H14 | 129.5° | 60.0° |
| P01 | O12 | P02 | O32 | 43.1° | 45.0° |
| P01 | O12 | P02 | O22 | 88.1° | 75.0° |
| P01 | O12 | P02 | O13 | 157.4° | 165.0° |
| O12 | P01 | O11 | H13 | 114.9° | 60.0° |
| O12 | P01 | O31 | H14 | 115.1° | 180.0° |
| O32 | P02 | O12 | O22 | 131.2° | 120.0° |
| O32 | P02 | O12 | O13 | 114.3° | 120.0° |
| O32 | P02 | O22 | O13 | 125.8° | 120.0° |
| O32 | P02 | O13 | P03 | 1.6° | 40.0° |
| O32 | P02 | O22 | H1 | 0.0° | 180.0° |
| O12 | P02 | O22 | O13 | 108.7° | 120.0° |
| O12 | P02 | O13 | P03 | 112.6° | 160.0° |
| O12 | P02 | O22 | H1 | 125.5° | 60.0° |
| O22 | P02 | O13 | P03 | 133.0° | 80.0° |
| P02 | O13 | P03 | O23 | 30.8° | 44.9° |
| P02 | O13 | P03 | O14 | 83.4° | 165.0° |
| P02 | O13 | P03 | O33 | 162.2° | 75.0° |
| O13 | P02 | O22 | H1 | 125.8° | 60.0° |
| O23 | P03 | O13 | O14 | 114.2° | 120.1° |
| O23 | P03 | O13 | O33 | 131.4° | 120.0° |
| O23 | P03 | O14 | O33 | 131.4° | 120.0° |
| O23 | P03 | O14 | P04 | 78.2° | 40.0° |
| O23 | P03 | O33 | H2 | 0.0° | 180.0° |
| O13 | P03 | O14 | O33 | 114.2° | 119.9° |
| O13 | P03 | O14 | P04 | 167.5° | 160.0° |
| O13 | P03 | O33 | H2 | 125.6° | 60.0° |
| P03 | O14 | P04 | O34 | 56.8° | 40.0° |
| P03 | O14 | P04 | O15 | 171.0° | 160.0° |
| P03 | O14 | P04 | O24 | 74.6° | 80.0° |
| O14 | P03 | O33 | H2 | 125.7° | 60.0° |
| O33 | P03 | O14 | P04 | 53.3° | 80.0° |
| O14 | P04 | O34 | O15 | 108.6° | 120.0° |
| O14 | P04 | O34 | O24 | 125.9° | 120.0° |
| O14 | P04 | O15 | O24 | 114.6° | 120.0° |
| O14 | P04 | O15 | P05 | 93.5° | 165.0° |
| O14 | P04 | O24 | H3 | 125.8° | 60.0° |
| O34 | P04 | O15 | O24 | 131.2° | 120.0° |
| O34 | P04 | O15 | P05 | 152.3° | 45.0° |
| O34 | P04 | O24 | H3 | 0.0° | 180.0° |
| P04 | O15 | P05 | O25 | 98.0° | 45.0° |
| P04 | O15 | P05 | O35 | 130.8° | 75.0° |
| P04 | O15 | P05 | O16 | 16.3° | 165.0° |
| O15 | P04 | O24 | H3 | 125.4° | 60.0° |
| O24 | P04 | O15 | P05 | 21.1° | 75.0° |
| O15 | P05 | O25 | O35 | 125.6° | 120.0° |
| O15 | P05 | O25 | O16 | 108.9° | 120.0° |
| O15 | P05 | O35 | O16 | 109.1° | 120.0° |
| O15 | P05 | O16 | P06 | 121.7° | 160.0° |
| O15 | P05 | O35 | H4 | 125.4° | 60.0° |
| O25 | P05 | O35 | O16 | 125.5° | 120.0° |
| O25 | P05 | O16 | P06 | 124.1° | 40.0° |
| O25 | P05 | O35 | H4 | 0.0° | 180.0° |
| O35 | P05 | O16 | P06 | 7.0° | 80.0° |
| P05 | O16 | P06 | O26 | 4.5° | 45.0° |
| P05 | O16 | P06 | O36 | 136.1° | 75.0° |
| P05 | O16 | P06 | O17 | 109.4° | 165.0° |
| O16 | P05 | O35 | H4 | 125.5° | 60.0° |
| O16 | P06 | O26 | O36 | 125.9° | 120.0° |
| O16 | P06 | O26 | O17 | 108.8° | 120.0° |
| O16 | P06 | O36 | O17 | 109.1° | 120.0° |
| O16 | P06 | O17 | P07 | 147.5° | 160.0° |
| O16 | P06 | O36 | H5 | 125.7° | 59.9° |
| O26 | P06 | O36 | O17 | 125.1° | 120.0° |
| O26 | P06 | O17 | P07 | 33.4° | 40.0° |
| O26 | P06 | O36 | H5 | 0.0° | 180.0° |
| O36 | P06 | O17 | P07 | 97.9° | 80.0° |
| P06 | O17 | P07 | O27 | 96.3° | 45.0° |
| P06 | O17 | P07 | O18 | 17.9° | 165.0° |
| P06 | O17 | P07 | O37 | 132.4° | 75.0° |
| O17 | P06 | O36 | H5 | 125.2° | 60.0° |
| O17 | P07 | O27 | O18 | 108.5° | 120.0° |
| O17 | P07 | O27 | O37 | 125.7° | 120.0° |
| O17 | P07 | O18 | O37 | 114.5° | 120.0° |
| O17 | P07 | O18 | P08 | 145.3° | 160.0° |
| O17 | P07 | O37 | H6 | 125.6° | 60.0° |
| O27 | P07 | O18 | O37 | 131.4° | 120.0° |
| O27 | P07 | O18 | P08 | 31.2° | 40.0° |
| O27 | P07 | O37 | H6 | 0.0° | 180.0° |
| P07 | O18 | P08 | O38 | 72.2° | 40.0° |
| P07 | O18 | P08 | O28 | 156.3° | 80.0° |
| P07 | O18 | P08 | O19 | 42.1° | 160.0° |
| O18 | P07 | O37 | H6 | 125.6° | 60.0° |
| O37 | P07 | O18 | P08 | 100.2° | 79.9° |
| O18 | P08 | O38 | O28 | 125.7° | 119.9° |
| O18 | P08 | O38 | O19 | 108.6° | 120.0° |
| O18 | P08 | O28 | O19 | 108.6° | 120.0° |
| O18 | P08 | O19 | P09 | 105.5° | 165.0° |
| O18 | P08 | O28 | H7 | 125.6° | 60.1° |
| O38 | P08 | O28 | O19 | 125.8° | 120.0° |
| O38 | P08 | O19 | P09 | 8.7° | 45.0° |
| O38 | P08 | O28 | H7 | 0.0° | 180.0° |
| O28 | P08 | O19 | P09 | 140.2° | 75.0° |
| P08 | O19 | P09 | O39 | 88.4° | 40.0° |
| P08 | O19 | P09 | O29 | 42.9° | 80.0° |
| P08 | O19 | P09 | O40 | 157.1° | 160.0° |
| O19 | P08 | O28 | H7 | 125.8° | 59.9° |
| O39 | P09 | O29 | O19 | 125.7° | 120.0° |
| O39 | P09 | O29 | O40 | 125.7° | 119.9° |
| O39 | P09 | O19 | O40 | 114.5° | 120.0° |
| O39 | P09 | O40 | P10 | 8.7° | 45.0° |
| O39 | P09 | O29 | H8 | 0.0° | 180.0° |
| O29 | P09 | O19 | O40 | 114.2° | 120.0° |
| O29 | P09 | O40 | P10 | 122.6° | 75.0° |
| O19 | P09 | O40 | P10 | 123.2° | 165.0° |
| O19 | P09 | O29 | H8 | 125.7° | 60.0° |
| P09 | O40 | P10 | O60 | 11.3° | 40.0° |
| P09 | O40 | P10 | O41 | 125.9° | 160.0° |
| P09 | O40 | P10 | O50 | 120.1° | 80.0° |
| O40 | P09 | O29 | H8 | 125.7° | 60.0° |
| O60 | P10 | O40 | O41 | 114.6° | 120.0° |
| O60 | P10 | O40 | O50 | 131.3° | 120.0° |
| O60 | P10 | O41 | O50 | 131.4° | 120.0° |
| O60 | P10 | O41 | P11 | 143.1° | 45.0° |
| O60 | P10 | O50 | H9 | 0.0° | 180.0° |
| O40 | P10 | O41 | O50 | 114.0° | 120.0° |
| O40 | P10 | O41 | P11 | 28.5° | 165.0° |
| O40 | P10 | O50 | H9 | 125.7° | 60.0° |
| P10 | O41 | P11 | O61 | 67.1° | 40.0° |
| P10 | O41 | P11 | O42 | 46.9° | 160.0° |
| P10 | O41 | P11 | O51 | 161.3° | 80.0° |
| O41 | P10 | O50 | H9 | 125.9° | 60.0° |
| O50 | P10 | O41 | P11 | 85.5° | 75.0° |
| O61 | P11 | O41 | O42 | 114.1° | 120.0° |
| O61 | P11 | O41 | O51 | 131.6° | 120.0° |
| O61 | P11 | O42 | O51 | 131.5° | 120.0° |
| O61 | P11 | O42 | P12 | 76.8° | 45.0° |
| O61 | P11 | O51 | H10 | 0.0° | 180.0° |
| O41 | P11 | O42 | O51 | 114.4° | 120.0° |
| O41 | P11 | O42 | P12 | 169.2° | 165.0° |
| O41 | P11 | O51 | H10 | 125.8° | 60.0° |
| P11 | O42 | P12 | O62 | 89.9° | 40.0° |
| P11 | O42 | P12 | O52 | 151.9° | 80.0° |
| P11 | O42 | P12 | O43 | 31.0° | 160.0° |
| O42 | P11 | O51 | H10 | 125.7° | 60.0° |
| O51 | P11 | O42 | P12 | 54.8° | 75.0° |
| O42 | P12 | O62 | O52 | 112.4° | 120.0° |
| O42 | P12 | O62 | O43 | 118.4° | 120.0° |
| O42 | P12 | O52 | O43 | 118.4° | 120.0° |
| O42 | P12 | O52 | H11 | 112.5° | 59.9° |
| O42 | P12 | O43 | H12 | 115.5° | 180.0° |
| O62 | P12 | O52 | O43 | 129.1° | 120.0° |
| O62 | P12 | O52 | H11 | 0.0° | 180.0° |
| O62 | P12 | O43 | H12 | 0.0° | 60.0° |
| O52 | P12 | O43 | H12 | 129.0° | 60.0° |
| O43 | P12 | O52 | H11 | 129.1° | 60.1° |
