KGN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O34 | P4 | doub | 1.48Å | 1.51Å | |
| O23 | P3 | doub | 1.48Å | 1.52Å | |
| O44 | P4 | sing | 1.61Å | 1.51Å | |
| P4 | O24 | sing | 1.61Å | 1.51Å | |
| P4 | O14 | sing | 1.61Å | 1.63Å | |
| P3 | O43 | sing | 1.61Å | 1.52Å | |
| P3 | O33 | sing | 1.61Å | 1.51Å | |
| P3 | O13 | sing | 1.61Å | 1.63Å | |
| O14 | C4 | sing | 1.43Å | 1.44Å | |
| O13 | C3 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| O35 | P5 | doub | 1.48Å | 1.49Å | |
| O15 | C5 | sing | 1.43Å | 1.43Å | |
| O15 | P5 | sing | 1.61Å | 1.61Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| O46 | P6 | doub | 1.48Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| P5 | O25 | sing | 1.61Å | 1.51Å | |
| P5 | O45 | sing | 1.61Å | 1.50Å | |
| O16 | C6 | sing | 1.43Å | 1.44Å | |
| O16 | P6 | sing | 1.61Å | 1.63Å | |
| C6 | C1 | sing | 1.53Å | 1.51Å | |
| P6 | O26 | sing | 1.61Å | 1.52Å | |
| P6 | O36 | sing | 1.61Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | O12 | sing | 1.43Å | 1.42Å | |
| O32 | P2 | doub | 1.48Å | 1.51Å | |
| O22 | P2 | sing | 1.61Å | 1.51Å | |
| C1 | O11 | sing | 1.43Å | 1.44Å | |
| O12 | P2 | sing | 1.61Å | 1.60Å | |
| P2 | O42 | sing | 1.61Å | 1.51Å | |
| O11 | P1 | sing | 1.61Å | 1.63Å | |
| O21 | P1 | doub | 1.48Å | 1.51Å | |
| O41 | P1 | sing | 1.61Å | 1.51Å | |
| P1 | O31 | sing | 1.61Å | 1.51Å | |
| 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 | |
| O24 | H8 | sing | 0.97Å | 0.95Å | |
| O25 | H9 | sing | 0.97Å | 0.95Å | |
| O26 | H10 | sing | 0.97Å | 0.95Å | |
| O31 | H11 | sing | 0.97Å | 0.95Å | |
| O33 | H12 | sing | 0.97Å | 0.95Å | |
| O36 | H13 | sing | 0.97Å | 0.95Å | |
| O41 | H14 | sing | 0.97Å | 0.95Å | |
| O42 | H15 | sing | 0.97Å | 0.95Å | |
| O43 | H16 | sing | 0.97Å | 0.95Å | |
| O44 | H17 | sing | 0.97Å | 0.95Å | |
| O45 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O34 | P4 | O44 | 114.0° | 109.5° |
| O34 | P4 | O24 | 114.3° | 109.5° |
| O34 | P4 | O14 | 108.7° | 109.5° |
| O23 | P3 | O43 | 116.6° | 109.5° |
| O23 | P3 | O33 | 112.8° | 109.5° |
| O23 | P3 | O13 | 103.2° | 109.5° |
| O44 | P4 | O24 | 111.6° | 109.5° |
| O44 | P4 | O14 | 101.7° | 109.5° |
| P4 | O44 | H17 | 109.5° | 114.0° |
| O24 | P4 | O14 | 105.4° | 109.5° |
| P4 | O24 | H8 | 109.5° | 114.0° |
| P4 | O14 | C4 | 130.9° | 123.0° |
| O43 | P3 | O33 | 112.2° | 109.4° |
| O43 | P3 | O13 | 106.2° | 109.4° |
| P3 | O43 | H16 | 109.5° | 114.0° |
| O33 | P3 | O13 | 104.5° | 109.5° |
| P3 | O33 | H12 | 109.5° | 114.0° |
| P3 | O13 | C3 | 124.8° | 123.0° |
| O14 | C4 | C3 | 107.7° | 109.5° |
| O14 | C4 | C5 | 108.2° | 109.4° |
| O14 | C4 | H4 | 111.4° | 109.4° |
| O13 | C3 | C4 | 110.8° | 109.5° |
| O13 | C3 | C2 | 107.5° | 109.5° |
| O13 | C3 | H3 | 107.6° | 109.5° |
| C3 | C4 | C5 | 108.8° | 109.5° |
| C4 | C3 | C2 | 117.6° | 109.5° |
| C4 | C3 | H3 | 106.5° | 109.5° |
| C3 | C4 | H4 | 110.2° | 109.5° |
| C4 | C5 | O15 | 109.4° | 109.5° |
| C4 | C5 | C6 | 113.1° | 109.5° |
| C5 | C4 | H4 | 110.4° | 109.5° |
| C4 | C5 | H5 | 107.1° | 109.5° |
| O35 | P5 | O15 | 103.3° | 109.5° |
| O35 | P5 | O25 | 117.1° | 109.4° |
| O35 | P5 | O45 | 111.5° | 109.4° |
| C5 | O15 | P5 | 121.5° | 123.0° |
| O15 | C5 | C6 | 111.9° | 109.5° |
| O15 | C5 | H5 | 108.2° | 109.4° |
| O15 | P5 | O25 | 102.4° | 109.5° |
| O15 | P5 | O45 | 106.1° | 109.5° |
| C3 | C2 | C1 | 121.1° | 109.5° |
| C3 | C2 | O12 | 103.3° | 109.5° |
| C3 | C2 | H2 | 107.4° | 109.4° |
| C2 | C3 | H3 | 106.4° | 109.4° |
| O46 | P6 | O16 | 103.3° | 109.5° |
| O46 | P6 | O26 | 114.7° | 109.5° |
| O46 | P6 | O36 | 112.8° | 109.4° |
| C5 | C6 | O16 | 117.4° | 109.5° |
| C5 | C6 | C1 | 106.8° | 109.4° |
| C6 | C5 | H5 | 106.9° | 109.5° |
| C5 | C6 | H6 | 107.6° | 109.5° |
| O25 | P5 | O45 | 114.7° | 109.5° |
| P5 | O25 | H9 | 109.5° | 114.0° |
| P5 | O45 | H18 | 109.5° | 114.0° |
| C6 | O16 | P6 | 119.4° | 123.0° |
| O16 | C6 | C1 | 108.0° | 109.5° |
| O16 | C6 | H6 | 108.8° | 109.5° |
| O16 | P6 | O26 | 106.1° | 109.5° |
| O16 | P6 | O36 | 105.2° | 109.5° |
| C6 | C1 | C2 | 109.7° | 109.5° |
| C6 | C1 | O11 | 109.2° | 109.5° |
| C6 | C1 | H1 | 107.5° | 109.5° |
| C1 | C6 | H6 | 107.8° | 109.5° |
| O26 | P6 | O36 | 113.3° | 109.5° |
| P6 | O26 | H10 | 109.5° | 114.0° |
| P6 | O36 | H13 | 109.5° | 114.0° |
| C1 | C2 | O12 | 108.3° | 109.5° |
| C2 | C1 | O11 | 114.7° | 109.5° |
| C2 | C1 | H1 | 107.2° | 109.4° |
| C1 | C2 | H2 | 107.4° | 109.5° |
| C2 | O12 | P2 | 121.7° | 123.0° |
| O12 | C2 | H2 | 108.9° | 109.4° |
| O32 | P2 | O22 | 113.6° | 109.4° |
| O32 | P2 | O12 | 104.6° | 109.5° |
| O32 | P2 | O42 | 116.9° | 109.5° |
| O22 | P2 | O12 | 105.7° | 109.5° |
| O22 | P2 | O42 | 113.6° | 109.5° |
| P2 | O22 | H7 | 109.5° | 114.0° |
| C1 | O11 | P1 | 120.9° | 123.0° |
| O11 | C1 | H1 | 108.4° | 109.5° |
| O12 | P2 | O42 | 100.4° | 109.5° |
| P2 | O42 | H15 | 109.5° | 114.0° |
| O11 | P1 | O21 | 106.2° | 109.5° |
| O11 | P1 | O41 | 106.1° | 109.4° |
| O11 | P1 | O31 | 103.6° | 109.5° |
| O21 | P1 | O41 | 111.3° | 109.4° |
| O21 | P1 | O31 | 115.6° | 109.5° |
| O41 | P1 | O31 | 113.1° | 109.5° |
| P1 | O41 | H14 | 109.5° | 114.0° |
| P1 | O31 | H11 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O34 | P4 | O44 | O24 | 131.3° | 120.0° |
| O34 | P4 | O44 | O14 | 116.8° | 120.0° |
| O34 | P4 | O24 | O14 | 119.3° | 120.0° |
| O34 | P4 | O14 | C4 | 23.5° | 55.0° |
| O34 | P4 | O24 | H8 | 0.0° | 180.0° |
| O34 | P4 | O44 | H17 | 0.0° | 60.0° |
| O23 | P3 | O43 | O33 | 132.2° | 120.0° |
| O23 | P3 | O43 | O13 | 114.3° | 120.0° |
| O23 | P3 | O33 | O13 | 111.3° | 120.0° |
| O23 | P3 | O13 | C3 | 114.3° | 55.0° |
| O23 | P3 | O33 | H12 | 0.0° | 180.0° |
| O23 | P3 | O43 | H16 | 0.0° | 60.0° |
| O44 | P4 | O24 | O14 | 109.6° | 120.0° |
| O44 | P4 | O14 | C4 | 144.1° | 175.0° |
| O44 | P4 | O24 | H8 | 131.1° | 60.0° |
| O24 | P4 | O14 | C4 | 99.4° | 65.0° |
| O24 | P4 | O44 | H17 | 131.3° | 60.0° |
| P4 | O14 | C4 | C3 | 132.6° | 120.0° |
| P4 | O14 | C4 | C5 | 110.0° | 120.0° |
| P4 | O14 | C4 | H4 | 11.5° | 0.1° |
| O14 | P4 | O24 | H8 | 119.3° | 60.0° |
| O14 | P4 | O44 | H17 | 116.8° | 180.0° |
| O43 | P3 | O33 | O13 | 114.6° | 119.9° |
| O43 | P3 | O13 | C3 | 8.9° | 175.1° |
| O43 | P3 | O33 | H12 | 134.1° | 59.9° |
| O33 | P3 | O13 | C3 | 127.7° | 65.0° |
| O33 | P3 | O43 | H16 | 132.2° | 60.1° |
| P3 | O13 | C3 | C4 | 84.2° | 120.0° |
| P3 | O13 | C3 | C2 | 146.0° | 120.0° |
| P3 | O13 | C3 | H3 | 31.8° | 0.0° |
| O13 | P3 | O33 | H12 | 111.3° | 60.0° |
| O13 | P3 | O43 | H16 | 114.3° | 180.0° |
| O14 | C4 | C3 | O13 | 89.5° | 60.0° |
| O14 | C4 | C3 | C5 | 117.0° | 120.0° |
| O14 | C4 | C3 | H4 | 121.8° | 120.0° |
| O14 | C4 | C5 | H4 | 122.2° | 119.9° |
| O14 | C4 | C5 | O15 | 60.3° | 60.0° |
| O14 | C4 | C3 | C2 | 146.4° | 180.0° |
| O14 | C4 | C5 | C6 | 174.3° | 180.0° |
| O14 | C4 | C3 | H3 | 27.2° | 60.0° |
| O14 | C4 | C5 | H5 | 56.7° | 60.0° |
| O13 | C3 | C4 | C2 | 124.1° | 120.1° |
| O13 | C3 | C4 | H3 | 116.7° | 120.0° |
| O13 | C3 | C4 | C5 | 153.5° | 180.0° |
| O13 | C3 | C2 | H3 | 115.0° | 120.0° |
| O13 | C3 | C2 | C1 | 144.7° | 180.0° |
| O13 | C3 | C2 | O12 | 93.9° | 60.0° |
| O13 | C3 | C2 | H2 | 21.1° | 60.0° |
| O13 | C3 | C4 | H4 | 32.3° | 60.0° |
| C3 | C4 | C5 | H4 | 121.1° | 120.0° |
| C3 | C4 | C5 | O15 | 177.0° | 180.0° |
| C4 | C3 | C2 | H3 | 119.3° | 120.0° |
| C3 | C4 | C5 | C6 | 57.6° | 60.0° |
| C4 | C3 | C2 | C1 | 19.0° | 60.0° |
| C4 | C3 | C2 | O12 | 140.3° | 180.0° |
| C4 | C3 | C2 | H2 | 104.6° | 60.0° |
| C3 | C4 | C5 | H5 | 60.0° | 60.0° |
| C4 | C5 | O15 | C6 | 126.1° | 120.0° |
| C4 | C5 | O15 | H5 | 116.4° | 120.0° |
| C4 | C5 | O15 | P5 | 151.6° | 120.0° |
| C5 | C4 | C3 | C2 | 29.4° | 60.0° |
| C4 | C5 | C6 | H5 | 117.7° | 120.0° |
| C4 | C5 | C6 | O16 | 48.2° | 60.0° |
| C4 | C5 | C6 | C1 | 73.2° | 60.0° |
| C5 | C4 | C3 | H3 | 89.8° | 60.0° |
| C4 | C5 | C6 | H6 | 171.3° | 180.0° |
| O35 | P5 | O15 | C5 | 133.5° | 55.0° |
| O35 | P5 | O15 | O25 | 122.0° | 120.0° |
| O35 | P5 | O15 | O45 | 117.4° | 120.0° |
| O35 | P5 | O25 | O45 | 133.5° | 119.9° |
| O35 | P5 | O25 | H9 | 0.0° | 60.0° |
| O35 | P5 | O45 | H18 | 0.0° | 180.0° |
| O15 | C5 | C6 | H5 | 118.3° | 120.0° |
| C5 | O15 | P5 | O25 | 104.5° | 175.0° |
| C5 | O15 | P5 | O45 | 16.1° | 65.0° |
| O15 | C5 | C6 | O16 | 75.9° | 60.0° |
| O15 | C5 | C6 | C1 | 162.8° | 180.0° |
| O15 | C5 | C4 | H4 | 61.9° | 60.0° |
| O15 | C5 | C6 | H6 | 47.2° | 60.0° |
| P5 | O15 | C5 | C6 | 82.2° | 120.0° |
| O15 | P5 | O25 | O45 | 114.4° | 120.0° |
| P5 | O15 | C5 | H5 | 35.3° | 0.0° |
| O15 | P5 | O25 | H9 | 112.1° | 180.0° |
| O15 | P5 | O45 | H18 | 111.8° | 60.0° |
| C3 | C2 | C1 | C6 | 31.8° | 60.0° |
| C3 | C2 | C1 | O12 | 118.9° | 120.0° |
| C3 | C2 | C1 | H2 | 123.6° | 120.0° |
| C3 | C2 | O12 | H2 | 113.9° | 120.0° |
| C3 | C2 | C1 | O11 | 91.4° | 60.0° |
| C3 | C2 | O12 | P2 | 104.0° | 119.9° |
| C3 | C2 | C1 | H1 | 148.2° | 180.0° |
| C2 | C3 | C4 | H4 | 91.8° | 60.1° |
| O46 | P6 | O16 | C6 | 168.1° | 55.0° |
| O46 | P6 | O16 | O26 | 121.1° | 120.1° |
| O46 | P6 | O16 | O36 | 118.5° | 119.9° |
| O46 | P6 | O26 | O36 | 131.6° | 120.0° |
| O46 | P6 | O26 | H10 | 0.0° | 60.0° |
| O46 | P6 | O36 | H13 | 0.0° | 180.0° |
| C5 | C6 | O16 | C1 | 120.7° | 120.0° |
| C5 | C6 | O16 | H6 | 122.5° | 120.0° |
| C5 | C6 | O16 | P6 | 159.8° | 120.0° |
| C5 | C6 | C1 | H6 | 115.4° | 120.0° |
| C5 | C6 | C1 | C2 | 54.8° | 60.0° |
| C5 | C6 | C1 | O11 | 71.7° | 60.0° |
| C5 | C6 | C1 | H1 | 171.0° | 180.0° |
| C6 | C5 | C4 | H4 | 63.5° | 60.0° |
| O25 | P5 | O45 | H18 | 136.0° | 60.1° |
| O45 | P5 | O25 | H9 | 133.5° | 59.9° |
| O16 | C6 | C1 | H6 | 117.5° | 120.0° |
| C6 | O16 | P6 | O26 | 47.0° | 175.0° |
| C6 | O16 | P6 | O36 | 73.4° | 65.0° |
| O16 | C6 | C1 | C2 | 72.4° | 60.0° |
| O16 | C6 | C1 | O11 | 161.2° | 180.0° |
| O16 | C6 | C1 | H1 | 43.8° | 60.0° |
| O16 | C6 | C5 | H5 | 165.8° | 180.0° |
| P6 | O16 | C6 | C1 | 79.5° | 120.0° |
| O16 | P6 | O26 | O36 | 115.0° | 120.0° |
| P6 | O16 | C6 | H6 | 37.3° | 0.0° |
| O16 | P6 | O26 | H10 | 113.5° | 180.0° |
| O16 | P6 | O36 | H13 | 112.0° | 60.0° |
| C6 | C1 | C2 | O11 | 123.2° | 120.1° |
| C6 | C1 | C2 | H1 | 116.4° | 120.0° |
| C6 | C1 | C2 | O12 | 150.7° | 180.0° |
| C6 | C1 | O11 | H1 | 116.8° | 120.0° |
| C6 | C1 | O11 | P1 | 70.9° | 120.0° |
| C6 | C1 | C2 | H2 | 91.8° | 60.0° |
| C1 | C6 | C5 | H5 | 44.5° | 60.0° |
| O26 | P6 | O36 | H13 | 132.5° | 60.0° |
| O36 | P6 | O26 | H10 | 131.6° | 60.0° |
| C1 | C2 | O12 | H2 | 116.5° | 120.0° |
| C2 | C1 | O11 | H1 | 119.7° | 120.0° |
| C1 | C2 | O12 | P2 | 126.4° | 120.0° |
| C2 | C1 | O11 | P1 | 165.5° | 120.0° |
| C1 | C2 | C3 | H3 | 100.3° | 60.0° |
| C2 | C1 | C6 | H6 | 170.2° | 180.0° |
| C2 | O12 | P2 | O32 | 2.5° | 55.0° |
| C2 | O12 | P2 | O22 | 117.6° | 175.0° |
| O12 | C2 | C1 | O11 | 27.5° | 60.0° |
| C2 | O12 | P2 | O42 | 124.0° | 65.0° |
| O12 | C2 | C1 | H1 | 92.8° | 60.0° |
| O12 | C2 | C3 | H3 | 21.1° | 60.0° |
| O32 | P2 | O22 | O12 | 114.1° | 120.0° |
| O32 | P2 | O22 | O42 | 136.8° | 120.0° |
| O32 | P2 | O12 | O42 | 121.5° | 120.0° |
| O32 | P2 | O22 | H7 | 0.0° | 60.0° |
| O32 | P2 | O42 | H15 | 0.0° | 179.9° |
| O22 | P2 | O12 | O42 | 118.3° | 120.0° |
| O22 | P2 | O42 | H15 | 135.2° | 59.9° |
| C1 | O11 | P1 | O21 | 3.3° | 54.9° |
| C1 | O11 | P1 | O41 | 121.8° | 65.0° |
| C1 | O11 | P1 | O31 | 118.9° | 175.0° |
| O11 | C1 | C2 | H2 | 145.0° | 180.0° |
| O11 | C1 | C6 | H6 | 43.7° | 60.0° |
| P2 | O12 | C2 | H2 | 9.9° | 0.0° |
| O12 | P2 | O22 | H7 | 114.1° | 180.0° |
| O12 | P2 | O42 | H15 | 112.4° | 60.1° |
| O42 | P2 | O22 | H7 | 136.8° | 60.0° |
| O11 | P1 | O21 | O41 | 115.0° | 120.0° |
| O11 | P1 | O21 | O31 | 114.3° | 120.0° |
| O11 | P1 | O41 | O31 | 113.0° | 120.0° |
| P1 | O11 | C1 | H1 | 45.9° | 0.0° |
| O11 | P1 | O31 | H11 | 115.7° | 180.0° |
| O11 | P1 | O41 | H14 | 115.0° | 60.0° |
| O21 | P1 | O41 | O31 | 132.0° | 120.0° |
| O21 | P1 | O31 | H11 | 0.0° | 60.0° |
| O21 | P1 | O41 | H14 | 0.0° | 180.0° |
| O41 | P1 | O31 | H11 | 129.9° | 60.0° |
| O31 | P1 | O41 | H14 | 132.0° | 60.0° |
| H1 | C1 | C2 | H2 | 24.6° | 60.0° |
| H1 | C1 | C6 | H6 | 73.6° | 60.1° |
| H2 | C2 | C3 | H3 | 136.1° | 180.0° |
| H3 | C3 | C4 | H4 | 149.0° | 180.0° |
| H4 | C4 | C5 | H5 | 178.9° | 180.0° |
| H5 | C5 | C6 | H6 | 71.1° | 60.0° |
