A1CK8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O42 | P2 | sing | 1.61Å | 1.52Å | |
| P2 | O22 | doub | 1.48Å | 1.52Å | |
| P2 | O32 | sing | 1.61Å | 1.51Å | |
| P2 | O12 | sing | 1.61Å | 1.61Å | |
| O12 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C3 | O13 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C1 | O11 | sing | 1.43Å | 1.43Å | |
| C1 | C6 | sing | 1.53Å | 1.52Å | |
| O11 | P1 | sing | 1.61Å | 1.62Å | |
| P1 | O21 | doub | 1.48Å | 1.51Å | |
| P1 | O31 | sing | 1.61Å | 1.51Å | |
| P1 | O41 | sing | 1.61Å | 1.51Å | |
| C6 | O16 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| O16 | P6 | sing | 1.61Å | 1.61Å | |
| P6 | O26 | doub | 1.48Å | 1.51Å | |
| P6 | O36 | sing | 1.61Å | 1.51Å | |
| P6 | O46 | sing | 1.61Å | 1.51Å | |
| C5 | O15 | sing | 1.43Å | 1.40Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| O15 | P5 | sing | 1.61Å | 1.59Å | |
| P5 | O25 | doub | 1.48Å | 1.51Å | |
| P5 | O35 | sing | 1.61Å | 1.51Å | |
| P5 | O45 | sing | 1.61Å | 1.51Å | |
| C4 | O14 | sing | 1.43Å | 1.43Å | |
| 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 | |
| O13 | H9 | sing | 0.97Å | 0.95Å | |
| O14 | H16 | sing | 0.97Å | 0.95Å | |
| O31 | H10 | sing | 0.97Å | 0.95Å | |
| O32 | H8 | sing | 0.97Å | 0.95Å | |
| O35 | H14 | sing | 0.97Å | 0.95Å | |
| O36 | H12 | sing | 0.97Å | 0.95Å | |
| O41 | H11 | sing | 0.97Å | 0.95Å | |
| O42 | H7 | sing | 0.97Å | 0.95Å | |
| O45 | H15 | sing | 0.97Å | 0.95Å | |
| O46 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O42 | P2 | O22 | 109.8° | 109.5° |
| O42 | P2 | O32 | 110.4° | 109.5° |
| O42 | P2 | O12 | 108.4° | 109.5° |
| P2 | O42 | H7 | 109.5° | 114.0° |
| O22 | P2 | O32 | 109.3° | 109.5° |
| O22 | P2 | O12 | 109.3° | 109.4° |
| O32 | P2 | O12 | 109.6° | 109.4° |
| P2 | O32 | H8 | 109.5° | 113.9° |
| P2 | O12 | C2 | 123.7° | 123.0° |
| O12 | C2 | C3 | 108.4° | 109.5° |
| O12 | C2 | C1 | 107.3° | 109.5° |
| O12 | C2 | H2 | 110.9° | 109.5° |
| C3 | C2 | C1 | 111.5° | 109.5° |
| C2 | C3 | O13 | 110.4° | 109.5° |
| C2 | C3 | C4 | 109.1° | 109.4° |
| C3 | C2 | H2 | 109.3° | 109.5° |
| C2 | C3 | H3 | 109.3° | 109.4° |
| C2 | C1 | O11 | 111.0° | 109.5° |
| C2 | C1 | C6 | 104.6° | 109.5° |
| C2 | C1 | H1 | 109.8° | 109.4° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| O13 | C3 | C4 | 107.8° | 109.5° |
| O13 | C3 | H3 | 110.8° | 109.5° |
| C3 | O13 | H9 | 109.5° | 114.0° |
| C3 | C4 | C5 | 105.6° | 109.5° |
| C3 | C4 | O14 | 109.9° | 109.5° |
| C4 | C3 | H3 | 109.5° | 109.5° |
| C3 | C4 | H4 | 108.8° | 109.5° |
| O11 | C1 | C6 | 110.1° | 109.5° |
| C1 | O11 | P1 | 123.3° | 123.0° |
| O11 | C1 | H1 | 111.2° | 109.5° |
| C1 | C6 | O16 | 113.7° | 109.5° |
| C1 | C6 | C5 | 104.1° | 109.5° |
| C6 | C1 | H1 | 109.9° | 109.5° |
| C1 | C6 | H6 | 108.9° | 109.5° |
| O11 | P1 | O21 | 109.0° | 109.4° |
| O11 | P1 | O31 | 110.6° | 109.4° |
| O11 | P1 | O41 | 109.3° | 109.5° |
| O21 | P1 | O31 | 108.8° | 109.5° |
| O21 | P1 | O41 | 110.6° | 109.5° |
| O31 | P1 | O41 | 108.6° | 109.5° |
| P1 | O31 | H10 | 109.5° | 113.9° |
| P1 | O41 | H11 | 109.5° | 114.0° |
| O16 | C6 | C5 | 110.7° | 109.5° |
| C6 | O16 | P6 | 122.5° | 123.0° |
| O16 | C6 | H6 | 110.2° | 109.5° |
| C6 | C5 | O15 | 103.8° | 109.4° |
| C6 | C5 | C4 | 105.7° | 109.5° |
| C6 | C5 | H5 | 110.7° | 109.5° |
| C5 | C6 | H6 | 109.0° | 109.4° |
| O16 | P6 | O26 | 110.1° | 109.5° |
| O16 | P6 | O36 | 110.7° | 109.5° |
| O16 | P6 | O46 | 107.5° | 109.5° |
| O26 | P6 | O36 | 107.1° | 109.4° |
| O26 | P6 | O46 | 110.6° | 109.5° |
| O36 | P6 | O46 | 110.8° | 109.4° |
| P6 | O36 | H12 | 109.5° | 114.0° |
| P6 | O46 | H13 | 109.5° | 114.0° |
| O15 | C5 | C4 | 113.2° | 109.5° |
| C5 | O15 | P5 | 129.2° | 123.0° |
| O15 | C5 | H5 | 112.4° | 109.5° |
| C5 | C4 | O14 | 113.5° | 109.5° |
| C5 | C4 | H4 | 108.7° | 109.5° |
| C4 | C5 | H5 | 110.6° | 109.5° |
| O15 | P5 | O25 | 112.0° | 109.5° |
| O15 | P5 | O35 | 110.5° | 109.5° |
| O15 | P5 | O45 | 102.8° | 109.5° |
| O25 | P5 | O35 | 110.7° | 109.5° |
| O25 | P5 | O45 | 110.0° | 109.4° |
| O35 | P5 | O45 | 110.6° | 109.5° |
| P5 | O35 | H14 | 109.5° | 114.1° |
| P5 | O45 | H15 | 109.5° | 114.0° |
| O14 | C4 | H4 | 110.1° | 109.4° |
| C4 | O14 | H16 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O42 | P2 | O22 | O32 | 121.3° | 120.1° |
| O42 | P2 | O22 | O12 | 118.8° | 120.0° |
| O42 | P2 | O32 | O12 | 119.3° | 120.0° |
| O42 | P2 | O12 | C2 | 29.4° | 65.0° |
| O42 | P2 | O32 | H8 | 120.9° | 60.1° |
| O22 | P2 | O32 | O12 | 119.8° | 120.0° |
| O22 | P2 | O12 | C2 | 149.1° | 55.0° |
| O22 | P2 | O32 | H8 | 0.0° | 60.0° |
| O22 | P2 | O42 | H7 | 0.0° | 180.0° |
| O32 | P2 | O12 | C2 | 91.1° | 175.0° |
| O32 | P2 | O42 | H7 | 120.6° | 59.9° |
| P2 | O12 | C2 | C3 | 106.1° | 120.0° |
| P2 | O12 | C2 | C1 | 133.3° | 120.0° |
| P2 | O12 | C2 | H2 | 13.9° | 0.0° |
| O12 | P2 | O32 | H8 | 119.8° | 179.9° |
| O12 | P2 | O42 | H7 | 119.3° | 60.0° |
| O12 | C2 | C3 | C1 | 117.9° | 120.0° |
| O12 | C2 | C3 | H2 | 121.0° | 120.0° |
| O12 | C2 | C1 | H2 | 120.3° | 120.0° |
| O12 | C2 | C3 | O13 | 57.4° | 60.0° |
| O12 | C2 | C3 | C4 | 60.9° | 60.0° |
| O12 | C2 | C1 | O11 | 61.3° | 60.0° |
| O12 | C2 | C1 | C6 | 57.4° | 60.0° |
| O12 | C2 | C1 | H1 | 175.3° | 180.0° |
| O12 | C2 | C3 | H3 | 179.4° | 180.0° |
| C3 | C2 | C1 | H2 | 121.1° | 120.0° |
| C2 | C3 | O13 | C4 | 119.1° | 120.0° |
| C2 | C3 | O13 | H3 | 121.2° | 120.0° |
| C2 | C3 | C4 | H3 | 119.5° | 119.9° |
| C3 | C2 | C1 | O11 | 179.8° | 180.0° |
| C3 | C2 | C1 | C6 | 61.1° | 60.0° |
| C2 | C3 | C4 | C5 | 58.9° | 60.0° |
| C2 | C3 | C4 | O14 | 178.3° | 180.0° |
| C3 | C2 | C1 | H1 | 56.8° | 60.0° |
| C2 | C3 | C4 | H4 | 57.7° | 60.1° |
| C2 | C3 | O13 | H9 | 180.0° | 180.0° |
| C1 | C2 | C3 | O13 | 175.2° | 180.0° |
| C1 | C2 | C3 | C4 | 56.9° | 60.0° |
| C2 | C1 | O11 | C6 | 115.3° | 120.0° |
| C2 | C1 | O11 | H1 | 122.5° | 120.0° |
| C2 | C1 | C6 | H1 | 117.8° | 120.0° |
| C2 | C1 | O11 | P1 | 125.8° | 120.0° |
| C2 | C1 | C6 | O16 | 170.1° | 180.0° |
| C2 | C1 | C6 | C5 | 69.3° | 60.0° |
| C1 | C2 | C3 | H3 | 62.8° | 60.0° |
| C2 | C1 | C6 | H6 | 46.9° | 60.0° |
| O13 | C3 | C4 | H3 | 120.6° | 120.1° |
| O13 | C3 | C4 | C5 | 178.8° | 180.0° |
| O13 | C3 | C4 | O14 | 58.4° | 60.0° |
| O13 | C3 | C2 | H2 | 63.6° | 60.0° |
| O13 | C3 | C4 | H4 | 62.2° | 59.9° |
| C3 | C4 | C5 | C6 | 69.7° | 60.0° |
| C3 | C4 | C5 | O15 | 177.3° | 180.0° |
| C3 | C4 | C5 | O14 | 120.5° | 120.0° |
| C3 | C4 | C5 | H4 | 116.6° | 120.0° |
| C3 | C4 | O14 | H4 | 119.8° | 120.0° |
| C4 | C3 | C2 | H2 | 178.1° | 180.0° |
| C3 | C4 | C5 | H5 | 50.1° | 60.0° |
| C4 | C3 | O13 | H9 | 60.9° | 60.0° |
| C3 | C4 | O14 | H16 | 180.0° | 60.0° |
| O11 | C1 | C6 | H1 | 122.9° | 120.0° |
| C1 | O11 | P1 | O21 | 162.1° | 55.0° |
| C1 | O11 | P1 | O31 | 78.4° | 175.0° |
| C1 | O11 | P1 | O41 | 41.1° | 65.0° |
| O11 | C1 | C6 | O16 | 50.9° | 60.0° |
| O11 | C1 | C6 | C5 | 171.4° | 180.0° |
| O11 | C1 | C2 | H2 | 59.0° | 60.0° |
| O11 | C1 | C6 | H6 | 72.4° | 60.0° |
| C6 | C1 | O11 | P1 | 118.8° | 120.0° |
| C1 | C6 | O16 | C5 | 116.8° | 120.0° |
| C1 | C6 | O16 | H6 | 122.6° | 120.0° |
| C1 | C6 | C5 | H6 | 116.1° | 120.0° |
| C1 | C6 | O16 | P6 | 96.0° | 120.0° |
| C1 | C6 | C5 | O15 | 164.4° | 180.0° |
| C1 | C6 | C5 | C4 | 76.2° | 60.0° |
| C6 | C1 | C2 | H2 | 177.8° | 180.0° |
| C1 | C6 | C5 | H5 | 43.6° | 60.0° |
| O11 | P1 | O21 | O31 | 120.7° | 119.9° |
| O11 | P1 | O21 | O41 | 120.2° | 120.0° |
| O11 | P1 | O31 | O41 | 119.9° | 120.0° |
| P1 | O11 | C1 | H1 | 3.3° | 0.0° |
| O11 | P1 | O31 | H10 | 119.7° | 180.0° |
| O11 | P1 | O41 | H11 | 120.0° | 60.0° |
| O21 | P1 | O31 | O41 | 120.4° | 120.0° |
| O21 | P1 | O31 | H10 | 0.0° | 60.0° |
| O21 | P1 | O41 | H11 | 0.0° | 180.0° |
| O31 | P1 | O41 | H11 | 119.2° | 60.0° |
| O41 | P1 | O31 | H10 | 120.4° | 60.0° |
| O16 | C6 | C5 | H6 | 121.3° | 120.0° |
| C6 | O16 | P6 | O26 | 125.4° | 54.9° |
| C6 | O16 | P6 | O36 | 7.1° | 65.0° |
| C6 | O16 | P6 | O46 | 114.0° | 175.0° |
| O16 | C6 | C5 | O15 | 41.8° | 60.0° |
| O16 | C6 | C5 | C4 | 161.2° | 180.0° |
| O16 | C6 | C1 | H1 | 72.0° | 60.0° |
| O16 | C6 | C5 | H5 | 79.0° | 60.0° |
| C5 | C6 | O16 | P6 | 147.2° | 120.0° |
| C6 | C5 | O15 | C4 | 114.2° | 120.0° |
| C6 | C5 | O15 | H5 | 119.6° | 120.0° |
| C6 | C5 | C4 | H5 | 119.8° | 120.0° |
| C6 | C5 | O15 | P5 | 165.7° | 120.0° |
| C6 | C5 | C4 | O14 | 169.8° | 180.0° |
| C5 | C6 | C1 | H1 | 48.5° | 60.0° |
| C6 | C5 | C4 | H4 | 46.9° | 60.0° |
| O16 | P6 | O26 | O36 | 120.5° | 120.0° |
| O16 | P6 | O26 | O46 | 118.7° | 120.0° |
| O16 | P6 | O36 | O46 | 119.2° | 120.0° |
| P6 | O16 | C6 | H6 | 26.6° | 0.1° |
| O16 | P6 | O36 | H12 | 120.1° | 60.0° |
| O16 | P6 | O46 | H13 | 120.3° | 180.0° |
| O26 | P6 | O36 | O46 | 120.7° | 120.0° |
| O26 | P6 | O36 | H12 | 0.0° | 180.0° |
| O26 | P6 | O46 | H13 | 0.0° | 59.9° |
| O36 | P6 | O46 | H13 | 118.6° | 60.0° |
| O46 | P6 | O36 | H12 | 120.7° | 60.0° |
| O15 | C5 | C4 | H5 | 127.2° | 120.0° |
| C5 | O15 | P5 | O25 | 57.8° | 55.0° |
| C5 | O15 | P5 | O35 | 66.1° | 175.0° |
| C5 | O15 | P5 | O45 | 175.8° | 65.0° |
| O15 | C5 | C4 | O14 | 56.8° | 60.0° |
| O15 | C5 | C4 | H4 | 66.1° | 59.9° |
| O15 | C5 | C6 | H6 | 79.5° | 60.0° |
| C4 | C5 | O15 | P5 | 80.2° | 120.0° |
| C5 | C4 | O14 | H4 | 122.1° | 120.0° |
| C5 | C4 | C3 | H3 | 60.6° | 59.9° |
| C4 | C5 | C6 | H6 | 39.9° | 60.0° |
| C5 | C4 | O14 | H16 | 62.0° | 180.0° |
| O15 | P5 | O25 | O35 | 123.8° | 120.0° |
| O15 | P5 | O25 | O45 | 113.6° | 120.0° |
| O15 | P5 | O35 | O45 | 113.1° | 120.0° |
| P5 | O15 | C5 | H5 | 46.0° | 0.0° |
| O15 | P5 | O35 | H14 | 124.7° | 180.0° |
| O15 | P5 | O45 | H15 | 119.5° | 60.0° |
| O25 | P5 | O35 | O45 | 122.2° | 119.9° |
| O25 | P5 | O35 | H14 | 0.0° | 59.9° |
| O25 | P5 | O45 | H15 | 0.0° | 179.9° |
| O35 | P5 | O45 | H15 | 122.6° | 60.0° |
| O45 | P5 | O35 | H14 | 122.2° | 60.0° |
| O14 | C4 | C3 | H3 | 62.2° | 60.1° |
| O14 | C4 | C5 | H5 | 70.4° | 60.0° |
| H1 | C1 | C2 | H2 | 64.3° | 60.0° |
| H1 | C1 | C6 | H6 | 164.7° | 179.9° |
| H2 | C2 | C3 | H3 | 58.4° | 60.0° |
| H3 | C3 | C4 | H4 | 177.2° | 180.0° |
| H3 | C3 | O13 | H9 | 58.9° | 60.0° |
| H4 | C4 | C5 | H5 | 166.7° | 180.0° |
| H4 | C4 | O14 | H16 | 60.2° | 60.0° |
| H5 | C5 | C6 | H6 | 159.7° | 180.0° |
