K0W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O26 | PA6 | doub | 1.48Å | 1.51Å | |
| O71 | PB1 | doub | 1.48Å | 1.50Å | |
| O36 | PA6 | sing | 1.61Å | 1.50Å | |
| PA6 | O46 | sing | 1.61Å | 1.51Å | |
| PA6 | O16 | sing | 1.61Å | 1.64Å | |
| O61 | PB1 | sing | 1.61Å | 1.51Å | |
| O51 | PB1 | sing | 1.61Å | 1.51Å | |
| PB1 | O76 | sing | 1.61Å | 1.65Å | |
| O21 | PA1 | doub | 1.48Å | 1.51Å | |
| O16 | C1 | sing | 1.43Å | 1.40Å | |
| O22 | PA2 | doub | 1.48Å | 1.50Å | |
| O76 | PA1 | sing | 1.61Å | 1.65Å | |
| O32 | PA2 | sing | 1.61Å | 1.50Å | |
| PA1 | O31 | sing | 1.61Å | 1.51Å | |
| PA1 | O11 | sing | 1.61Å | 1.64Å | |
| C1 | C6 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| PA2 | O12 | sing | 1.61Å | 1.64Å | |
| PA2 | O42 | sing | 1.61Å | 1.50Å | |
| O55 | PB5 | doub | 1.48Å | 1.51Å | |
| C6 | O11 | sing | 1.43Å | 1.40Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| O12 | C2 | sing | 1.43Å | 1.39Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| O35 | PA5 | doub | 1.48Å | 1.51Å | |
| O75 | PB5 | sing | 1.61Å | 1.50Å | |
| PB5 | O65 | sing | 1.61Å | 1.51Å | |
| PB5 | O77 | sing | 1.61Å | 1.65Å | |
| C5 | O15 | sing | 1.43Å | 1.40Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| O33 | PA3 | doub | 1.48Å | 1.51Å | |
| PA5 | O15 | sing | 1.61Å | 1.65Å | |
| PA5 | O77 | sing | 1.61Å | 1.65Å | |
| PA5 | O25 | sing | 1.61Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | O13 | sing | 1.43Å | 1.42Å | |
| C4 | O14 | sing | 1.43Å | 1.40Å | |
| O13 | PA3 | sing | 1.61Å | 1.65Å | |
| PA3 | O43 | sing | 1.61Å | 1.51Å | |
| PA3 | O23 | sing | 1.61Å | 1.51Å | |
| O14 | PA4 | sing | 1.61Å | 1.64Å | |
| PA4 | O44 | doub | 1.48Å | 1.51Å | |
| PA4 | O24 | sing | 1.61Å | 1.51Å | |
| PA4 | O34 | 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 | |
| O23 | H7 | sing | 0.97Å | 0.95Å | |
| O24 | H8 | sing | 0.97Å | 0.95Å | |
| O25 | H9 | sing | 0.97Å | 0.95Å | |
| O31 | H10 | sing | 0.97Å | 0.95Å | |
| O32 | H11 | sing | 0.97Å | 0.95Å | |
| O34 | H12 | sing | 0.97Å | 0.95Å | |
| O36 | H13 | sing | 0.97Å | 0.95Å | |
| O42 | H14 | sing | 0.97Å | 0.95Å | |
| O43 | H15 | sing | 0.97Å | 0.95Å | |
| O46 | H16 | sing | 0.97Å | 0.95Å | |
| O51 | H17 | sing | 0.97Å | 0.95Å | |
| O61 | H18 | sing | 0.97Å | 0.95Å | |
| O65 | H19 | sing | 0.97Å | 0.95Å | |
| O75 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O26 | PA6 | O36 | 109.2° | 109.5° |
| O26 | PA6 | O46 | 109.3° | 109.5° |
| O26 | PA6 | O16 | 110.3° | 109.5° |
| O71 | PB1 | O61 | 109.9° | 109.5° |
| O71 | PB1 | O51 | 109.1° | 109.4° |
| O71 | PB1 | O76 | 106.4° | 109.5° |
| O36 | PA6 | O46 | 109.2° | 109.5° |
| O36 | PA6 | O16 | 109.7° | 109.5° |
| PA6 | O36 | H13 | 109.5° | 114.0° |
| O46 | PA6 | O16 | 109.1° | 109.5° |
| PA6 | O46 | H16 | 109.5° | 114.0° |
| PA6 | O16 | C1 | 117.9° | 123.0° |
| O61 | PB1 | O51 | 108.7° | 109.5° |
| O61 | PB1 | O76 | 111.3° | 109.5° |
| PB1 | O61 | H18 | 109.5° | 114.1° |
| O51 | PB1 | O76 | 111.3° | 109.5° |
| PB1 | O51 | H17 | 109.5° | 114.0° |
| PB1 | O76 | PA1 | 123.6° | 134.0° |
| O21 | PA1 | O76 | 110.8° | 109.5° |
| O21 | PA1 | O31 | 109.1° | 109.5° |
| O21 | PA1 | O11 | 108.5° | 109.5° |
| O16 | C1 | C6 | 109.0° | 109.5° |
| O16 | C1 | C2 | 109.0° | 109.4° |
| O16 | C1 | H1 | 108.8° | 109.4° |
| O22 | PA2 | O32 | 109.4° | 109.4° |
| O22 | PA2 | O12 | 106.2° | 109.5° |
| O22 | PA2 | O42 | 110.7° | 109.5° |
| O76 | PA1 | O31 | 111.3° | 109.4° |
| O76 | PA1 | O11 | 107.7° | 109.4° |
| O32 | PA2 | O12 | 111.4° | 109.5° |
| O32 | PA2 | O42 | 109.5° | 109.5° |
| PA2 | O32 | H11 | 109.5° | 114.0° |
| O31 | PA1 | O11 | 109.4° | 109.5° |
| PA1 | O31 | H10 | 109.5° | 114.0° |
| PA1 | O11 | C6 | 115.6° | 123.0° |
| C6 | C1 | C2 | 115.7° | 109.5° |
| C1 | C6 | O11 | 106.3° | 109.4° |
| C1 | C6 | C5 | 117.8° | 109.4° |
| C6 | C1 | H1 | 107.1° | 109.5° |
| C1 | C6 | H6 | 107.6° | 109.5° |
| C1 | C2 | O12 | 106.0° | 109.5° |
| C1 | C2 | C3 | 113.7° | 109.5° |
| C2 | C1 | H1 | 107.1° | 109.5° |
| C1 | C2 | H2 | 109.9° | 109.5° |
| O12 | PA2 | O42 | 109.6° | 109.5° |
| PA2 | O12 | C2 | 120.9° | 123.0° |
| PA2 | O42 | H14 | 109.5° | 114.0° |
| O55 | PB5 | O75 | 109.9° | 109.5° |
| O55 | PB5 | O65 | 108.5° | 109.5° |
| O55 | PB5 | O77 | 111.0° | 109.4° |
| O11 | C6 | C5 | 108.1° | 109.5° |
| O11 | C6 | H6 | 109.3° | 109.5° |
| C6 | C5 | O15 | 106.5° | 109.5° |
| C6 | C5 | C4 | 114.2° | 109.5° |
| C6 | C5 | H5 | 109.3° | 109.4° |
| C5 | C6 | H6 | 107.5° | 109.5° |
| O12 | C2 | C3 | 105.3° | 109.4° |
| O12 | C2 | H2 | 112.0° | 109.5° |
| C2 | C3 | C4 | 116.1° | 109.5° |
| C2 | C3 | O13 | 109.2° | 109.5° |
| C3 | C2 | H2 | 109.8° | 109.5° |
| C2 | C3 | H3 | 105.6° | 109.5° |
| O35 | PA5 | O15 | 109.7° | 109.5° |
| O35 | PA5 | O77 | 112.2° | 109.5° |
| O35 | PA5 | O25 | 108.7° | 109.5° |
| O75 | PB5 | O65 | 107.6° | 109.5° |
| O75 | PB5 | O77 | 109.2° | 109.4° |
| PB5 | O75 | H20 | 109.5° | 114.0° |
| O65 | PB5 | O77 | 110.5° | 109.5° |
| PB5 | O65 | H19 | 109.5° | 114.0° |
| PB5 | O77 | PA5 | 127.9° | 134.0° |
| O15 | C5 | C4 | 106.0° | 109.5° |
| C5 | O15 | PA5 | 121.2° | 123.0° |
| O15 | C5 | H5 | 111.3° | 109.5° |
| C5 | C4 | C3 | 116.5° | 109.4° |
| C5 | C4 | O14 | 105.7° | 109.5° |
| C5 | C4 | H4 | 108.7° | 109.5° |
| C4 | C5 | H5 | 109.4° | 109.5° |
| O33 | PA3 | O13 | 113.5° | 109.5° |
| O33 | PA3 | O43 | 108.5° | 109.5° |
| O33 | PA3 | O23 | 108.5° | 109.5° |
| O15 | PA5 | O77 | 109.3° | 109.5° |
| O15 | PA5 | O25 | 108.8° | 109.5° |
| O77 | PA5 | O25 | 108.0° | 109.4° |
| PA5 | O25 | H9 | 109.5° | 114.0° |
| C4 | C3 | O13 | 112.7° | 109.5° |
| C3 | C4 | O14 | 106.7° | 109.5° |
| C4 | C3 | H3 | 105.6° | 109.4° |
| C3 | C4 | H4 | 108.6° | 109.4° |
| C3 | O13 | PA3 | 125.4° | 123.0° |
| O13 | C3 | H3 | 107.0° | 109.5° |
| C4 | O14 | PA4 | 119.2° | 123.0° |
| O14 | C4 | H4 | 110.5° | 109.5° |
| O13 | PA3 | O43 | 107.2° | 109.5° |
| O13 | PA3 | O23 | 110.4° | 109.4° |
| O43 | PA3 | O23 | 108.6° | 109.5° |
| PA3 | O43 | H15 | 109.5° | 113.9° |
| PA3 | O23 | H7 | 109.5° | 114.0° |
| O14 | PA4 | O44 | 109.2° | 109.5° |
| O14 | PA4 | O24 | 109.4° | 109.5° |
| O14 | PA4 | O34 | 108.9° | 109.5° |
| O44 | PA4 | O24 | 109.9° | 109.5° |
| O44 | PA4 | O34 | 109.9° | 109.5° |
| O24 | PA4 | O34 | 109.5° | 109.5° |
| PA4 | O24 | H8 | 109.5° | 114.0° |
| PA4 | O34 | H12 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O26 | PA6 | O36 | O46 | 119.5° | 120.0° |
| O26 | PA6 | O36 | O16 | 121.0° | 120.0° |
| O26 | PA6 | O46 | O16 | 120.7° | 120.0° |
| O26 | PA6 | O16 | C1 | 130.6° | 55.0° |
| O26 | PA6 | O36 | H13 | 0.0° | 60.0° |
| O26 | PA6 | O46 | H16 | 0.0° | 179.9° |
| O71 | PB1 | O61 | O51 | 119.4° | 119.9° |
| O71 | PB1 | O61 | O76 | 117.6° | 120.0° |
| O71 | PB1 | O51 | O76 | 117.2° | 120.0° |
| O71 | PB1 | O76 | PA1 | 49.0° | 45.0° |
| O71 | PB1 | O51 | H17 | 0.0° | 180.0° |
| O71 | PB1 | O61 | H18 | 0.0° | 60.0° |
| O36 | PA6 | O46 | O16 | 119.9° | 120.0° |
| O36 | PA6 | O16 | C1 | 109.1° | 175.0° |
| O36 | PA6 | O46 | H16 | 119.4° | 60.0° |
| O46 | PA6 | O16 | C1 | 10.5° | 65.0° |
| O46 | PA6 | O36 | H13 | 119.5° | 60.0° |
| PA6 | O16 | C1 | C6 | 142.5° | 120.0° |
| PA6 | O16 | C1 | C2 | 90.4° | 120.0° |
| PA6 | O16 | C1 | H1 | 26.1° | 0.0° |
| O16 | PA6 | O36 | H13 | 121.0° | 180.0° |
| O16 | PA6 | O46 | H16 | 120.7° | 60.0° |
| O61 | PB1 | O51 | O76 | 123.0° | 120.0° |
| O61 | PB1 | O76 | PA1 | 70.8° | 165.0° |
| O61 | PB1 | O51 | H17 | 119.9° | 60.0° |
| O51 | PB1 | O76 | PA1 | 167.8° | 75.0° |
| O51 | PB1 | O61 | H18 | 119.4° | 59.9° |
| PB1 | O76 | PA1 | O21 | 8.2° | 39.9° |
| PB1 | O76 | PA1 | O31 | 129.7° | 80.0° |
| PB1 | O76 | PA1 | O11 | 110.4° | 160.0° |
| O76 | PB1 | O51 | H17 | 117.1° | 60.0° |
| O76 | PB1 | O61 | H18 | 117.6° | 180.0° |
| O21 | PA1 | O76 | O31 | 121.6° | 120.0° |
| O21 | PA1 | O76 | O11 | 118.5° | 120.1° |
| O21 | PA1 | O31 | O11 | 118.6° | 120.1° |
| O21 | PA1 | O11 | C6 | 78.5° | 55.0° |
| O21 | PA1 | O31 | H10 | 0.0° | 180.0° |
| O16 | C1 | C6 | C2 | 123.2° | 120.0° |
| O16 | C1 | C6 | H1 | 117.5° | 120.0° |
| O16 | C1 | C2 | H1 | 117.5° | 120.0° |
| O16 | C1 | C6 | O11 | 122.0° | 60.0° |
| O16 | C1 | C6 | C5 | 116.7° | 180.0° |
| O16 | C1 | C2 | O12 | 84.7° | 60.0° |
| O16 | C1 | C2 | C3 | 160.1° | 180.0° |
| O16 | C1 | C2 | H2 | 36.5° | 60.0° |
| O16 | C1 | C6 | H6 | 4.9° | 60.0° |
| O22 | PA2 | O32 | O12 | 117.2° | 120.0° |
| O22 | PA2 | O32 | O42 | 121.5° | 120.0° |
| O22 | PA2 | O12 | O42 | 119.6° | 120.0° |
| O22 | PA2 | O12 | C2 | 145.1° | 55.0° |
| O22 | PA2 | O32 | H11 | 0.0° | 60.0° |
| O22 | PA2 | O42 | H14 | 0.0° | 180.0° |
| O76 | PA1 | O31 | O11 | 118.9° | 119.9° |
| O76 | PA1 | O11 | C6 | 41.5° | 175.0° |
| O76 | PA1 | O31 | H10 | 122.5° | 60.0° |
| O32 | PA2 | O12 | O42 | 121.3° | 120.0° |
| O32 | PA2 | O12 | C2 | 26.0° | 175.0° |
| O32 | PA2 | O42 | H14 | 120.7° | 60.1° |
| O31 | PA1 | O11 | C6 | 162.6° | 65.1° |
| PA1 | O11 | C6 | C1 | 107.5° | 120.1° |
| PA1 | O11 | C6 | C5 | 125.2° | 120.0° |
| PA1 | O11 | C6 | H6 | 8.4° | 0.0° |
| O11 | PA1 | O31 | H10 | 118.6° | 59.9° |
| C6 | C1 | C2 | H1 | 119.3° | 120.1° |
| C1 | C6 | O11 | C5 | 127.4° | 120.0° |
| C1 | C6 | O11 | H6 | 115.9° | 120.0° |
| C1 | C6 | C5 | H6 | 121.6° | 120.0° |
| C6 | C1 | C2 | O12 | 152.1° | 180.0° |
| C6 | C1 | C2 | C3 | 36.9° | 60.1° |
| C1 | C6 | C5 | O15 | 157.5° | 60.0° |
| C1 | C6 | C5 | C4 | 40.9° | 60.0° |
| C6 | C1 | C2 | H2 | 86.7° | 59.9° |
| C1 | C6 | C5 | H5 | 82.1° | 180.0° |
| C1 | C2 | O12 | PA2 | 130.1° | 120.0° |
| C2 | C1 | C6 | O11 | 114.9° | 180.0° |
| C2 | C1 | C6 | C5 | 6.5° | 60.0° |
| C1 | C2 | O12 | C3 | 120.8° | 120.0° |
| C1 | C2 | O12 | H2 | 119.9° | 120.1° |
| C1 | C2 | C3 | H2 | 123.6° | 120.0° |
| C1 | C2 | C3 | C4 | 47.0° | 60.0° |
| C1 | C2 | C3 | O13 | 175.7° | 180.0° |
| C1 | C2 | C3 | H3 | 69.6° | 60.0° |
| C2 | C1 | C6 | H6 | 128.1° | 59.9° |
| PA2 | O12 | C2 | C3 | 109.1° | 120.0° |
| PA2 | O12 | C2 | H2 | 10.2° | 0.0° |
| O12 | PA2 | O32 | H11 | 117.2° | 180.0° |
| O12 | PA2 | O42 | H14 | 116.8° | 59.9° |
| O42 | PA2 | O12 | C2 | 95.3° | 65.0° |
| O42 | PA2 | O32 | H11 | 121.5° | 60.0° |
| O55 | PB5 | O75 | O65 | 118.0° | 120.0° |
| O55 | PB5 | O75 | O77 | 122.0° | 119.9° |
| O55 | PB5 | O65 | O77 | 121.9° | 120.0° |
| O55 | PB5 | O77 | PA5 | 33.0° | 45.1° |
| O55 | PB5 | O65 | H19 | 0.0° | 180.0° |
| O55 | PB5 | O75 | H20 | 0.0° | 60.1° |
| O11 | C6 | C5 | H6 | 117.9° | 120.0° |
| O11 | C6 | C5 | O15 | 37.1° | 60.0° |
| O11 | C6 | C5 | C4 | 79.6° | 180.0° |
| O11 | C6 | C1 | H1 | 4.4° | 60.0° |
| O11 | C6 | C5 | H5 | 157.5° | 60.0° |
| C6 | C5 | O15 | C4 | 122.0° | 120.0° |
| C6 | C5 | O15 | H5 | 119.1° | 120.0° |
| C6 | C5 | C4 | H5 | 122.9° | 120.0° |
| C6 | C5 | O15 | PA5 | 104.1° | 120.0° |
| C6 | C5 | C4 | C3 | 30.6° | 60.0° |
| C6 | C5 | C4 | O14 | 87.7° | 180.0° |
| C5 | C6 | C1 | H1 | 125.8° | 60.0° |
| C6 | C5 | C4 | H4 | 153.6° | 60.0° |
| O12 | C2 | C3 | H2 | 120.7° | 120.0° |
| O12 | C2 | C3 | C4 | 162.7° | 180.0° |
| O12 | C2 | C3 | O13 | 68.6° | 60.0° |
| O12 | C2 | C1 | H1 | 32.8° | 59.9° |
| O12 | C2 | C3 | H3 | 46.1° | 60.0° |
| C2 | C3 | C4 | C5 | 12.4° | 60.0° |
| C2 | C3 | C4 | O13 | 127.0° | 120.0° |
| C2 | C3 | C4 | H3 | 116.6° | 120.0° |
| C2 | C3 | O13 | H3 | 113.8° | 120.0° |
| C2 | C3 | C4 | O14 | 130.2° | 180.0° |
| C2 | C3 | O13 | PA3 | 79.3° | 120.0° |
| C3 | C2 | C1 | H1 | 82.4° | 60.0° |
| C2 | C3 | C4 | H4 | 110.7° | 60.0° |
| O35 | PA5 | O77 | PB5 | 22.5° | 45.0° |
| O35 | PA5 | O15 | C5 | 41.5° | 55.0° |
| O35 | PA5 | O15 | O77 | 123.5° | 120.0° |
| O35 | PA5 | O15 | O25 | 118.8° | 120.0° |
| O35 | PA5 | O77 | O25 | 119.8° | 120.0° |
| O35 | PA5 | O25 | H9 | 0.0° | 180.0° |
| O75 | PB5 | O65 | O77 | 119.2° | 120.0° |
| O75 | PB5 | O77 | PA5 | 88.3° | 165.0° |
| O75 | PB5 | O65 | H19 | 118.9° | 60.0° |
| O65 | PB5 | O77 | PA5 | 153.5° | 75.0° |
| O65 | PB5 | O75 | H20 | 118.1° | 60.0° |
| PB5 | O77 | PA5 | O15 | 99.5° | 165.0° |
| PB5 | O77 | PA5 | O25 | 142.2° | 75.0° |
| O77 | PB5 | O65 | H19 | 121.9° | 60.0° |
| O77 | PB5 | O75 | H20 | 122.0° | 180.0° |
| O15 | C5 | C4 | H5 | 120.1° | 120.0° |
| C5 | O15 | PA5 | O77 | 164.9° | 175.0° |
| C5 | O15 | PA5 | O25 | 77.3° | 65.0° |
| O15 | C5 | C4 | C3 | 147.6° | 60.0° |
| O15 | C5 | C4 | O14 | 29.2° | 60.0° |
| O15 | C5 | C4 | H4 | 89.4° | 180.0° |
| O15 | C5 | C6 | H6 | 80.9° | 180.0° |
| C4 | C5 | O15 | PA5 | 133.9° | 120.0° |
| C5 | C4 | C3 | O14 | 117.8° | 120.0° |
| C5 | C4 | C3 | H4 | 123.0° | 120.0° |
| C5 | C4 | C3 | O13 | 139.4° | 180.0° |
| C5 | C4 | O14 | H4 | 117.4° | 120.0° |
| C5 | C4 | O14 | PA4 | 122.2° | 120.0° |
| C5 | C4 | C3 | H3 | 104.3° | 60.0° |
| C4 | C5 | C6 | H6 | 162.5° | 60.0° |
| O33 | PA3 | O13 | C3 | 38.5° | 55.0° |
| O33 | PA3 | O13 | O43 | 119.8° | 120.0° |
| O33 | PA3 | O13 | O23 | 122.1° | 120.0° |
| O33 | PA3 | O43 | O23 | 117.8° | 120.0° |
| O33 | PA3 | O23 | H7 | 0.0° | 180.0° |
| O33 | PA3 | O43 | H15 | 0.0° | 60.0° |
| O15 | PA5 | O77 | O25 | 118.3° | 120.0° |
| PA5 | O15 | C5 | H5 | 15.0° | 0.0° |
| O15 | PA5 | O25 | H9 | 119.4° | 60.0° |
| O77 | PA5 | O25 | H9 | 122.0° | 60.0° |
| C4 | C3 | O13 | H3 | 115.5° | 120.0° |
| C3 | C4 | O14 | H4 | 117.9° | 120.0° |
| C4 | C3 | O13 | PA3 | 51.3° | 120.0° |
| C3 | C4 | O14 | PA4 | 113.1° | 120.0° |
| C4 | C3 | C2 | H2 | 76.6° | 60.0° |
| C3 | C4 | C5 | H5 | 92.3° | 180.0° |
| O13 | C3 | C4 | O14 | 102.8° | 60.0° |
| C3 | O13 | PA3 | O43 | 158.3° | 175.0° |
| C3 | O13 | PA3 | O23 | 83.6° | 65.0° |
| O13 | C3 | C2 | H2 | 52.1° | 60.0° |
| O13 | C3 | C4 | H4 | 16.3° | 60.0° |
| C4 | O14 | PA4 | O44 | 20.3° | 55.0° |
| C4 | O14 | PA4 | O24 | 140.6° | 65.0° |
| C4 | O14 | PA4 | O34 | 99.7° | 175.0° |
| O14 | C4 | C3 | H3 | 13.6° | 60.0° |
| O14 | C4 | C5 | H5 | 149.3° | 60.0° |
| O13 | PA3 | O43 | O23 | 119.3° | 120.0° |
| PA3 | O13 | C3 | H3 | 166.9° | 0.0° |
| O13 | PA3 | O23 | H7 | 125.0° | 60.0° |
| O13 | PA3 | O43 | H15 | 122.9° | 180.0° |
| O43 | PA3 | O23 | H7 | 117.7° | 59.9° |
| O23 | PA3 | O43 | H15 | 117.8° | 60.0° |
| O14 | PA4 | O44 | O24 | 120.0° | 120.0° |
| O14 | PA4 | O44 | O34 | 119.4° | 120.0° |
| O14 | PA4 | O24 | O34 | 119.3° | 120.0° |
| PA4 | O14 | C4 | H4 | 4.8° | 0.0° |
| O14 | PA4 | O24 | H8 | 119.9° | 60.0° |
| O14 | PA4 | O34 | H12 | 119.6° | 180.0° |
| O44 | PA4 | O24 | O34 | 120.8° | 120.0° |
| O44 | PA4 | O24 | H8 | 0.0° | 180.0° |
| O44 | PA4 | O34 | H12 | 0.0° | 60.0° |
| O24 | PA4 | O34 | H12 | 120.8° | 60.0° |
| O34 | PA4 | O24 | H8 | 120.8° | 60.0° |
| H1 | C1 | C2 | H2 | 154.0° | 180.0° |
| H1 | C1 | C6 | H6 | 112.6° | 180.0° |
| H2 | C2 | C3 | H3 | 166.8° | 180.0° |
| H3 | C3 | C4 | H4 | 132.7° | 180.0° |
| H4 | C4 | C5 | H5 | 30.7° | 60.0° |
| H5 | C5 | C6 | H6 | 39.5° | 60.0° |
