2OU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O55 | PB5 | doub | 1.48Å | 1.48Å | |
| O45 | PB5 | sing | 1.61Å | 1.48Å | |
| PB5 | O65 | sing | 1.61Å | 1.48Å | |
| PB5 | CB5 | sing | 1.82Å | 1.84Å | |
| CB5 | CA5 | sing | 1.51Å | 1.54Å | |
| O44 | PA4 | doub | 1.48Å | 1.46Å | |
| CA5 | O25 | doub | 1.21Å | 1.23Å | |
| CA5 | O15 | sing | 1.34Å | 1.36Å | |
| PA4 | O34 | sing | 1.61Å | 1.48Å | |
| PA4 | O24 | sing | 1.61Å | 1.47Å | |
| PA4 | O14 | sing | 1.61Å | 1.63Å | |
| O15 | C5 | sing | 1.45Å | 1.44Å | |
| O14 | C4 | sing | 1.43Å | 1.45Å | |
| O36 | PA6 | doub | 1.48Å | 1.48Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| CE2 | CD2 | doub | 1.38Å | 1.39Å | Aromatic |
| CE2 | CZ | sing | 1.38Å | 1.39Å | Aromatic |
| PA6 | O16 | sing | 1.61Å | 1.60Å | |
| PA6 | O46 | sing | 1.61Å | 1.47Å | |
| PA6 | O26 | sing | 1.61Å | 1.49Å | |
| C6 | O16 | sing | 1.43Å | 1.45Å | |
| C6 | C1 | sing | 1.53Å | 1.53Å | |
| O23 | PA3 | doub | 1.48Å | 1.47Å | |
| CD2 | CB2 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | O13 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| O13 | PA3 | sing | 1.61Å | 1.59Å | |
| CZ | CE1 | doub | 1.38Å | 1.40Å | Aromatic |
| O43 | PA3 | sing | 1.61Å | 1.47Å | |
| PA3 | O33 | sing | 1.61Å | 1.48Å | |
| O12 | C2 | sing | 1.43Å | 1.44Å | |
| O12 | CA2 | sing | 1.43Å | 1.40Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | O11 | sing | 1.43Å | 1.44Å | |
| CB2 | CA2 | sing | 1.51Å | 1.40Å | |
| CB2 | CD1 | doub | 1.38Å | 1.40Å | Aromatic |
| CE1 | CD1 | sing | 1.38Å | 1.40Å | Aromatic |
| O11 | PA1 | sing | 1.61Å | 1.61Å | |
| O21 | PA1 | doub | 1.48Å | 1.47Å | |
| PA1 | O41 | sing | 1.61Å | 1.48Å | |
| PA1 | O31 | sing | 1.61Å | 1.48Å | |
| O45 | H1 | sing | 0.97Å | 0.95Å | |
| O65 | H2 | sing | 0.97Å | 0.95Å | |
| CB5 | H3 | sing | 1.09Å | 1.10Å | |
| CB5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O46 | H7 | sing | 0.97Å | 0.95Å | |
| O26 | H8 | sing | 0.97Å | 0.95Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| O41 | H10 | sing | 0.97Å | 0.95Å | |
| O31 | H11 | sing | 0.97Å | 0.95Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| O24 | H13 | sing | 0.97Å | 0.95Å | |
| O34 | H14 | sing | 0.97Å | 0.95Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| O43 | H16 | sing | 0.97Å | 0.95Å | |
| O33 | H17 | sing | 0.97Å | 0.95Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| CA2 | H19 | sing | 1.09Å | 1.10Å | |
| CA2 | H20 | sing | 1.09Å | 1.10Å | |
| CD2 | H21 | sing | 1.08Å | 1.08Å | |
| CE2 | H22 | sing | 1.08Å | 1.08Å | |
| CZ | H23 | sing | 1.08Å | 1.08Å | |
| CE1 | H24 | sing | 1.08Å | 1.08Å | |
| CD1 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O55 | PB5 | O45 | 118.6° | 109.5° |
| O55 | PB5 | O65 | 117.5° | 109.5° |
| O55 | PB5 | CB5 | 96.5° | 109.5° |
| O45 | PB5 | O65 | 119.1° | 109.5° |
| O45 | PB5 | CB5 | 95.7° | 109.5° |
| PB5 | O45 | H1 | 109.5° | 114.0° |
| O65 | PB5 | CB5 | 99.6° | 109.5° |
| PB5 | O65 | H2 | 109.5° | 114.0° |
| PB5 | CB5 | CA5 | 111.4° | 109.5° |
| PB5 | CB5 | H3 | 109.0° | 109.5° |
| PB5 | CB5 | H4 | 109.0° | 109.5° |
| CB5 | CA5 | O25 | 121.3° | 120.0° |
| CB5 | CA5 | O15 | 113.3° | 120.0° |
| CA5 | CB5 | H3 | 109.0° | 109.4° |
| CA5 | CB5 | H4 | 109.0° | 109.4° |
| O44 | PA4 | O34 | 114.5° | 109.5° |
| O44 | PA4 | O24 | 115.4° | 109.4° |
| O44 | PA4 | O14 | 101.9° | 109.4° |
| O25 | CA5 | O15 | 125.3° | 120.0° |
| CA5 | O15 | C5 | 119.0° | 117.0° |
| O34 | PA4 | O24 | 113.1° | 109.5° |
| O34 | PA4 | O14 | 106.1° | 109.5° |
| PA4 | O34 | H14 | 109.5° | 114.0° |
| O24 | PA4 | O14 | 104.2° | 109.5° |
| PA4 | O24 | H13 | 109.5° | 114.0° |
| PA4 | O14 | C4 | 126.8° | 123.0° |
| O15 | C5 | C4 | 107.8° | 109.5° |
| O15 | C5 | C6 | 106.8° | 109.4° |
| O15 | C5 | H5 | 110.9° | 109.4° |
| O14 | C4 | C5 | 108.7° | 109.4° |
| O14 | C4 | C3 | 109.1° | 109.5° |
| O14 | C4 | H12 | 110.4° | 109.5° |
| O36 | PA6 | O16 | 102.9° | 109.5° |
| O36 | PA6 | O46 | 116.4° | 109.5° |
| O36 | PA6 | O26 | 114.0° | 109.5° |
| C4 | C5 | C6 | 111.9° | 109.5° |
| C5 | C4 | C3 | 109.9° | 109.5° |
| C4 | C5 | H5 | 109.7° | 109.5° |
| C5 | C4 | H12 | 109.3° | 109.4° |
| C5 | C6 | O16 | 109.0° | 109.5° |
| C5 | C6 | C1 | 112.3° | 109.4° |
| C6 | C5 | H5 | 109.6° | 109.5° |
| C5 | C6 | H6 | 108.5° | 109.5° |
| C4 | C3 | O13 | 109.0° | 109.5° |
| C4 | C3 | C2 | 110.7° | 109.5° |
| C3 | C4 | H12 | 109.4° | 109.5° |
| C4 | C3 | H15 | 108.8° | 109.5° |
| CD2 | CE2 | CZ | 119.5° | 120.0° |
| CE2 | CD2 | CB2 | 121.0° | 120.0° |
| CE2 | CD2 | H21 | 119.5° | 120.0° |
| CD2 | CE2 | H22 | 120.2° | 120.0° |
| CE2 | CZ | CE1 | 119.8° | 120.0° |
| CZ | CE2 | H22 | 120.3° | 120.0° |
| CE2 | CZ | H23 | 120.1° | 120.0° |
| O16 | PA6 | O46 | 104.6° | 109.5° |
| O16 | PA6 | O26 | 102.5° | 109.5° |
| PA6 | O16 | C6 | 122.8° | 123.0° |
| O46 | PA6 | O26 | 114.1° | 109.4° |
| PA6 | O46 | H7 | 109.5° | 113.9° |
| PA6 | O26 | H8 | 109.5° | 114.0° |
| O16 | C6 | C1 | 109.0° | 109.5° |
| O16 | C6 | H6 | 109.5° | 109.5° |
| C6 | C1 | C2 | 110.8° | 109.5° |
| C6 | C1 | O11 | 108.7° | 109.5° |
| C1 | C6 | H6 | 108.5° | 109.5° |
| C6 | C1 | H9 | 109.0° | 109.5° |
| O23 | PA3 | O13 | 105.7° | 109.5° |
| O23 | PA3 | O43 | 115.0° | 109.5° |
| O23 | PA3 | O33 | 115.0° | 109.5° |
| CD2 | CB2 | CA2 | 119.7° | 120.0° |
| CD2 | CB2 | CD1 | 119.1° | 120.0° |
| CB2 | CD2 | H21 | 119.5° | 120.1° |
| O13 | C3 | C2 | 109.4° | 109.5° |
| C3 | O13 | PA3 | 121.1° | 123.0° |
| O13 | C3 | H15 | 110.2° | 109.5° |
| C3 | C2 | O12 | 110.5° | 109.5° |
| C3 | C2 | C1 | 108.7° | 109.5° |
| C2 | C3 | H15 | 108.7° | 109.5° |
| C3 | C2 | H18 | 108.8° | 109.5° |
| O13 | PA3 | O43 | 102.3° | 109.4° |
| O13 | PA3 | O33 | 101.8° | 109.5° |
| CZ | CE1 | CD1 | 120.4° | 120.0° |
| CE1 | CZ | H23 | 120.1° | 120.0° |
| CZ | CE1 | H24 | 119.8° | 120.0° |
| O43 | PA3 | O33 | 114.6° | 109.5° |
| PA3 | O43 | H16 | 109.5° | 114.0° |
| PA3 | O33 | H17 | 109.5° | 114.0° |
| C2 | O12 | CA2 | 112.7° | 114.0° |
| O12 | C2 | C1 | 109.8° | 109.5° |
| O12 | C2 | H18 | 110.0° | 109.4° |
| O12 | CA2 | CB2 | 105.2° | 109.5° |
| O12 | CA2 | H19 | 110.5° | 109.5° |
| O12 | CA2 | H20 | 110.5° | 109.5° |
| C2 | C1 | O11 | 108.9° | 109.5° |
| C2 | C1 | H9 | 109.2° | 109.5° |
| C1 | C2 | H18 | 108.9° | 109.5° |
| C1 | O11 | PA1 | 121.7° | 123.0° |
| O11 | C1 | H9 | 110.3° | 109.5° |
| CA2 | CB2 | CD1 | 121.1° | 120.0° |
| CB2 | CA2 | H19 | 110.5° | 109.5° |
| CB2 | CA2 | H20 | 110.5° | 109.5° |
| CB2 | CD1 | CE1 | 120.0° | 120.0° |
| CB2 | CD1 | H25 | 120.0° | 120.0° |
| CD1 | CE1 | H24 | 119.8° | 120.0° |
| CE1 | CD1 | H25 | 120.0° | 120.0° |
| O11 | PA1 | O21 | 104.3° | 109.5° |
| O11 | PA1 | O41 | 103.2° | 109.5° |
| O11 | PA1 | O31 | 101.8° | 109.5° |
| O21 | PA1 | O41 | 115.1° | 109.5° |
| O21 | PA1 | O31 | 114.7° | 109.5° |
| O41 | PA1 | O31 | 115.2° | 109.5° |
| PA1 | O41 | H10 | 109.5° | 114.0° |
| PA1 | O31 | H11 | 109.5° | 114.0° |
| H3 | CB5 | H4 | 109.5° | 109.5° |
| H19 | CA2 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O55 | PB5 | O45 | O65 | 155.0° | 120.0° |
| O55 | PB5 | O45 | CB5 | 100.7° | 120.0° |
| O55 | PB5 | O65 | CB5 | 102.6° | 120.0° |
| O55 | PB5 | CB5 | CA5 | 177.5° | 58.4° |
| O55 | PB5 | O45 | H1 | 0.0° | 60.0° |
| O55 | PB5 | O65 | H2 | 143.8° | 179.9° |
| O55 | PB5 | CB5 | H3 | 57.2° | 178.4° |
| O55 | PB5 | CB5 | H4 | 62.2° | 61.6° |
| O45 | PB5 | O65 | CB5 | 102.2° | 120.0° |
| O45 | PB5 | CB5 | CA5 | 62.8° | 178.4° |
| O45 | PB5 | O65 | H2 | 11.4° | 60.1° |
| O45 | PB5 | CB5 | H3 | 176.9° | 61.7° |
| O45 | PB5 | CB5 | H4 | 57.5° | 58.4° |
| O65 | PB5 | CB5 | CA5 | 58.1° | 61.6° |
| O65 | PB5 | O45 | H1 | 155.0° | 60.0° |
| O65 | PB5 | CB5 | H3 | 62.2° | 58.3° |
| O65 | PB5 | CB5 | H4 | 178.4° | 178.4° |
| PB5 | CB5 | CA5 | H3 | 120.3° | 120.0° |
| PB5 | CB5 | CA5 | H4 | 120.3° | 120.0° |
| PB5 | CB5 | CA5 | O25 | 86.9° | 78.1° |
| PB5 | CB5 | CA5 | O15 | 95.6° | 101.9° |
| CB5 | PB5 | O45 | H1 | 100.7° | 180.0° |
| CB5 | PB5 | O65 | H2 | 113.6° | 59.9° |
| PB5 | CB5 | H3 | H4 | 119.1° | 120.1° |
| CB5 | CA5 | O25 | O15 | 177.2° | 180.0° |
| CB5 | CA5 | O15 | C5 | 173.5° | 178.7° |
| CA5 | CB5 | H3 | H4 | 119.1° | 120.0° |
| O44 | PA4 | O34 | O24 | 134.9° | 120.0° |
| O44 | PA4 | O34 | O14 | 111.5° | 120.0° |
| O44 | PA4 | O24 | O14 | 110.8° | 119.9° |
| O44 | PA4 | O14 | C4 | 127.7° | 54.9° |
| O44 | PA4 | O24 | H13 | 0.0° | 180.0° |
| O44 | PA4 | O34 | H14 | 0.0° | 60.0° |
| O25 | CA5 | O15 | C5 | 9.1° | 1.3° |
| O25 | CA5 | CB5 | H3 | 152.8° | 41.8° |
| O25 | CA5 | CB5 | H4 | 33.4° | 161.8° |
| CA5 | O15 | C5 | C4 | 119.3° | 96.4° |
| CA5 | O15 | C5 | C6 | 120.3° | 143.6° |
| O15 | CA5 | CB5 | H3 | 24.7° | 138.2° |
| O15 | CA5 | CB5 | H4 | 144.1° | 18.2° |
| CA5 | O15 | C5 | H5 | 0.9° | 23.6° |
| O34 | PA4 | O24 | O14 | 114.7° | 120.1° |
| O34 | PA4 | O14 | C4 | 7.6° | 174.9° |
| O34 | PA4 | O24 | H13 | 134.5° | 60.0° |
| O24 | PA4 | O14 | C4 | 112.0° | 65.0° |
| O24 | PA4 | O34 | H14 | 134.9° | 59.9° |
| PA4 | O14 | C4 | C5 | 141.8° | 120.0° |
| PA4 | O14 | C4 | C3 | 98.3° | 120.0° |
| PA4 | O14 | C4 | H12 | 21.9° | 0.1° |
| O14 | PA4 | O24 | H13 | 110.8° | 60.0° |
| O14 | PA4 | O34 | H14 | 111.5° | 180.0° |
| O15 | C5 | C4 | O14 | 70.3° | 60.0° |
| O15 | C5 | C4 | C6 | 117.1° | 120.0° |
| O15 | C5 | C4 | H5 | 121.0° | 120.0° |
| O15 | C5 | C6 | H5 | 120.3° | 119.9° |
| O15 | C5 | C4 | C3 | 170.4° | 180.0° |
| O15 | C5 | C6 | O16 | 69.9° | 60.0° |
| O15 | C5 | C6 | C1 | 169.3° | 180.0° |
| O15 | C5 | C6 | H6 | 49.3° | 60.0° |
| O15 | C5 | C4 | H12 | 50.3° | 59.9° |
| O14 | C4 | C5 | C3 | 119.3° | 120.0° |
| O14 | C4 | C5 | H12 | 120.6° | 119.9° |
| O14 | C4 | C5 | C6 | 172.6° | 180.0° |
| O14 | C4 | C3 | H12 | 120.9° | 120.0° |
| O14 | C4 | C3 | O13 | 61.3° | 60.0° |
| O14 | C4 | C3 | C2 | 178.3° | 180.0° |
| O14 | C4 | C5 | H5 | 50.6° | 60.0° |
| O14 | C4 | C3 | H15 | 58.8° | 60.0° |
| O36 | PA6 | O16 | O46 | 122.0° | 120.0° |
| O36 | PA6 | O16 | O26 | 118.6° | 120.0° |
| O36 | PA6 | O46 | O26 | 136.0° | 120.0° |
| O36 | PA6 | O16 | C6 | 82.5° | 56.1° |
| O36 | PA6 | O46 | H7 | 0.0° | 180.0° |
| O36 | PA6 | O26 | H8 | 0.0° | 60.0° |
| C4 | C5 | C6 | H5 | 122.0° | 120.0° |
| C5 | C4 | C3 | H12 | 120.1° | 120.0° |
| C4 | C5 | C6 | O16 | 172.4° | 180.0° |
| C4 | C5 | C6 | C1 | 51.5° | 60.0° |
| C5 | C4 | C3 | O13 | 179.6° | 180.0° |
| C5 | C4 | C3 | C2 | 59.2° | 60.0° |
| C4 | C5 | C6 | H6 | 68.5° | 60.0° |
| C5 | C4 | C3 | H15 | 60.2° | 60.0° |
| C6 | C5 | C4 | C3 | 53.3° | 60.0° |
| C5 | C6 | O16 | PA6 | 111.8° | 116.9° |
| C5 | C6 | O16 | C1 | 122.9° | 120.0° |
| C5 | C6 | O16 | H6 | 118.5° | 120.0° |
| C5 | C6 | C1 | H6 | 120.0° | 120.0° |
| C5 | C6 | C1 | C2 | 54.5° | 60.0° |
| C5 | C6 | C1 | O11 | 174.1° | 180.0° |
| C5 | C6 | C1 | H9 | 65.7° | 60.0° |
| C6 | C5 | C4 | H12 | 66.8° | 60.0° |
| C4 | C3 | O13 | C2 | 121.2° | 120.0° |
| C4 | C3 | O13 | H15 | 119.3° | 120.0° |
| C4 | C3 | C2 | H15 | 119.5° | 120.0° |
| C4 | C3 | O13 | PA3 | 137.0° | 120.0° |
| C4 | C3 | C2 | O12 | 58.5° | 60.0° |
| C4 | C3 | C2 | C1 | 62.1° | 60.0° |
| C3 | C4 | C5 | H5 | 68.7° | 60.0° |
| C4 | C3 | C2 | H18 | 179.4° | 180.0° |
| CD2 | CE2 | CZ | H22 | 180.0° | 180.0° |
| CE2 | CD2 | CB2 | H21 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 0.1° | 0.0° |
| CE2 | CD2 | CB2 | CA2 | 179.7° | 180.0° |
| CE2 | CD2 | CB2 | CD1 | 0.2° | 0.3° |
| CD2 | CE2 | CZ | H23 | 179.9° | 179.9° |
| CZ | CE2 | CD2 | CB2 | 0.2° | 0.0° |
| CE2 | CZ | CE1 | H23 | 180.0° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 0.1° | 0.2° |
| CZ | CE2 | CD2 | H21 | 179.8° | 180.0° |
| CE2 | CZ | CE1 | H24 | 179.9° | 180.0° |
| O16 | PA6 | O46 | O26 | 111.3° | 120.0° |
| PA6 | O16 | C6 | C1 | 125.3° | 123.1° |
| PA6 | O16 | C6 | H6 | 6.7° | 3.1° |
| O16 | PA6 | O46 | H7 | 112.8° | 60.0° |
| O16 | PA6 | O26 | H8 | 110.4° | 180.0° |
| O46 | PA6 | O16 | C6 | 39.5° | 63.9° |
| O46 | PA6 | O26 | H8 | 137.0° | 60.0° |
| O26 | PA6 | O16 | C6 | 159.0° | 176.1° |
| O26 | PA6 | O46 | H7 | 136.0° | 60.0° |
| O16 | C6 | C1 | H6 | 119.2° | 120.0° |
| O16 | C6 | C1 | C2 | 175.3° | 180.0° |
| O16 | C6 | C1 | O11 | 65.1° | 60.0° |
| O16 | C6 | C5 | H5 | 50.4° | 60.0° |
| O16 | C6 | C1 | H9 | 55.2° | 60.0° |
| C6 | C1 | C2 | C3 | 58.9° | 60.0° |
| C6 | C1 | C2 | O12 | 62.1° | 60.0° |
| C6 | C1 | C2 | O11 | 119.5° | 120.0° |
| C6 | C1 | C2 | H9 | 120.1° | 120.0° |
| C6 | C1 | O11 | H9 | 119.5° | 120.0° |
| C6 | C1 | O11 | PA1 | 139.7° | 120.0° |
| C1 | C6 | C5 | H5 | 70.5° | 60.1° |
| C6 | C1 | C2 | H18 | 177.4° | 180.0° |
| O23 | PA3 | O13 | C3 | 65.5° | 55.0° |
| O23 | PA3 | O13 | O43 | 120.8° | 120.0° |
| O23 | PA3 | O13 | O33 | 120.5° | 120.0° |
| O23 | PA3 | O43 | O33 | 136.6° | 120.0° |
| O23 | PA3 | O43 | H16 | 0.0° | 179.9° |
| O23 | PA3 | O33 | H17 | 0.0° | 60.0° |
| CD2 | CB2 | CA2 | O12 | 77.1° | 89.7° |
| CD2 | CB2 | CA2 | CD1 | 179.4° | 179.7° |
| CD2 | CB2 | CD1 | CE1 | 0.3° | 0.5° |
| CD2 | CB2 | CA2 | H19 | 163.6° | 150.3° |
| CD2 | CB2 | CA2 | H20 | 42.3° | 30.3° |
| CB2 | CD2 | CE2 | H22 | 179.8° | 179.9° |
| CD2 | CB2 | CD1 | H25 | 179.7° | 179.7° |
| O13 | C3 | C2 | H15 | 120.4° | 120.0° |
| C3 | O13 | PA3 | O43 | 173.8° | 65.0° |
| C3 | O13 | PA3 | O33 | 55.0° | 175.0° |
| O13 | C3 | C2 | O12 | 61.7° | 60.0° |
| O13 | C3 | C2 | C1 | 177.8° | 180.0° |
| O13 | C3 | C4 | H12 | 59.5° | 60.0° |
| O13 | C3 | C2 | H18 | 59.3° | 60.0° |
| C2 | C3 | O13 | PA3 | 101.8° | 120.0° |
| C3 | C2 | O12 | C1 | 119.9° | 120.0° |
| C3 | C2 | O12 | H18 | 120.2° | 120.0° |
| C3 | C2 | O12 | CA2 | 102.6° | 150.0° |
| C3 | C2 | C1 | H18 | 118.4° | 120.0° |
| C3 | C2 | C1 | O11 | 178.4° | 180.0° |
| C3 | C2 | C1 | H9 | 61.2° | 60.0° |
| C2 | C3 | C4 | H12 | 60.8° | 60.0° |
| O13 | PA3 | O43 | O33 | 109.3° | 120.0° |
| PA3 | O13 | C3 | H15 | 17.7° | 0.0° |
| O13 | PA3 | O43 | H16 | 114.1° | 60.1° |
| O13 | PA3 | O33 | H17 | 113.8° | 180.0° |
| CZ | CE1 | CD1 | CB2 | 0.2° | 0.5° |
| CZ | CE1 | CD1 | H24 | 180.0° | 179.8° |
| CE1 | CZ | CE2 | H22 | 179.9° | 180.0° |
| CZ | CE1 | CD1 | H25 | 179.8° | 179.8° |
| O43 | PA3 | O33 | H17 | 136.6° | 60.0° |
| O33 | PA3 | O43 | H16 | 136.6° | 59.9° |
| O12 | C2 | C1 | H18 | 120.6° | 120.0° |
| O12 | C2 | C1 | O11 | 57.4° | 60.0° |
| C2 | O12 | CA2 | CB2 | 168.9° | 180.0° |
| O12 | C2 | C1 | H9 | 177.8° | 180.0° |
| O12 | C2 | C3 | H15 | 177.9° | 180.0° |
| C2 | O12 | CA2 | H19 | 71.8° | 60.0° |
| C2 | O12 | CA2 | H20 | 49.6° | 59.9° |
| CA2 | O12 | C2 | C1 | 137.5° | 90.0° |
| O12 | CA2 | CB2 | H19 | 119.3° | 120.0° |
| O12 | CA2 | CB2 | H20 | 119.3° | 120.0° |
| O12 | CA2 | CB2 | CD1 | 102.4° | 90.0° |
| CA2 | O12 | C2 | H18 | 17.6° | 30.0° |
| O12 | CA2 | H19 | H20 | 122.0° | 120.0° |
| C2 | C1 | O11 | H9 | 119.8° | 120.0° |
| C2 | C1 | O11 | PA1 | 99.5° | 120.0° |
| C2 | C1 | C6 | H6 | 65.5° | 60.0° |
| C1 | C2 | C3 | H15 | 57.4° | 60.0° |
| C1 | O11 | PA1 | O21 | 39.6° | 55.0° |
| C1 | O11 | PA1 | O41 | 160.2° | 175.0° |
| C1 | O11 | PA1 | O31 | 80.0° | 65.0° |
| O11 | C1 | C6 | H6 | 54.1° | 60.0° |
| O11 | C1 | C2 | H18 | 63.2° | 60.0° |
| CA2 | CB2 | CD1 | CE1 | 179.7° | 179.8° |
| CB2 | CA2 | H19 | H20 | 121.9° | 120.0° |
| CA2 | CB2 | CD2 | H21 | 0.3° | 0.0° |
| CA2 | CB2 | CD1 | H25 | 0.3° | 0.0° |
| CB2 | CD1 | CE1 | H25 | 180.0° | 179.7° |
| CD1 | CB2 | CA2 | H19 | 17.0° | 30.0° |
| CD1 | CB2 | CA2 | H20 | 138.3° | 150.0° |
| CD1 | CB2 | CD2 | H21 | 179.8° | 179.7° |
| CB2 | CD1 | CE1 | H24 | 179.8° | 179.7° |
| CD1 | CE1 | CZ | H23 | 179.9° | 179.8° |
| O11 | PA1 | O21 | O41 | 112.3° | 120.0° |
| O11 | PA1 | O21 | O31 | 110.5° | 120.0° |
| O11 | PA1 | O41 | O31 | 110.0° | 120.0° |
| PA1 | O11 | C1 | H9 | 20.3° | 0.0° |
| O11 | PA1 | O41 | H10 | 113.0° | 180.0° |
| O11 | PA1 | O31 | H11 | 112.0° | 60.0° |
| O21 | PA1 | O41 | O31 | 137.0° | 120.0° |
| O21 | PA1 | O41 | H10 | 0.0° | 60.0° |
| O21 | PA1 | O31 | H11 | 0.0° | 180.0° |
| O41 | PA1 | O31 | H11 | 137.1° | 60.1° |
| O31 | PA1 | O41 | H10 | 137.0° | 59.9° |
| H5 | C5 | C6 | H6 | 169.6° | 180.0° |
| H5 | C5 | C4 | H12 | 171.3° | 179.9° |
| H6 | C6 | C1 | H9 | 174.3° | 180.0° |
| H9 | C1 | C2 | H18 | 57.3° | 60.0° |
| H12 | C4 | C3 | H15 | 179.7° | 180.0° |
| H15 | C3 | C2 | H18 | 61.1° | 60.0° |
| H21 | CD2 | CE2 | H22 | 0.2° | 0.0° |
| H22 | CE2 | CZ | H23 | 0.1° | 0.0° |
| H23 | CZ | CE1 | H24 | 0.1° | 0.0° |
| H24 | CE1 | CD1 | H25 | 0.2° | 0.0° |
