PIB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C6 | sing | 1.53Å | 1.55Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | HC1 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.57Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | HC2 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.58Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | HC3 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | HC4 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | O5 | sing | 1.43Å | 1.42Å | |
| C5 | HC5 | sing | 1.09Å | 1.12Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C6 | HC6 | sing | 1.09Å | 1.11Å | |
| O1 | P1 | sing | 1.61Å | 1.59Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | P3 | sing | 1.61Å | 1.62Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| P1 | O11 | sing | 1.61Å | 1.60Å | |
| P1 | O12 | doub | 1.48Å | 1.57Å | |
| P1 | O13 | sing | 1.61Å | 1.61Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| O13 | C7 | sing | 1.43Å | 1.41Å | |
| P3 | O31 | sing | 1.61Å | 1.59Å | |
| P3 | O32 | doub | 1.48Å | 1.58Å | |
| P3 | O33 | sing | 1.61Å | 1.59Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å | |
| O33 | HO33 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | HC71 | sing | 1.09Å | 1.11Å | |
| C7 | HC72 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | O14 | sing | 1.45Å | 1.45Å | |
| C8 | HC8 | sing | 1.09Å | 1.12Å | |
| C9 | O15 | sing | 1.45Å | 1.44Å | |
| C9 | HC91 | sing | 1.09Å | 1.11Å | |
| C9 | HC92 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | O15 | sing | 1.34Å | 1.39Å | |
| C10 | O16 | doub | 1.21Å | 1.24Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C13 | H133 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C14 | O14 | sing | 1.34Å | 1.40Å | |
| C14 | O17 | doub | 1.21Å | 1.23Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C17 | H173 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 111.2° | 109.5° |
| C2 | C1 | O1 | 108.0° | 109.5° |
| C2 | C1 | HC1 | 109.4° | 109.4° |
| C1 | C2 | C3 | 110.0° | 109.5° |
| C1 | C2 | O2 | 109.3° | 109.5° |
| C1 | C2 | HC2 | 109.1° | 109.5° |
| C6 | C1 | O1 | 109.3° | 109.5° |
| C6 | C1 | HC1 | 109.4° | 109.5° |
| C1 | C6 | C5 | 110.6° | 109.5° |
| C1 | C6 | O6 | 109.7° | 109.5° |
| C1 | C6 | HC6 | 109.2° | 109.4° |
| O1 | C1 | HC1 | 109.4° | 109.4° |
| C1 | O1 | P1 | 125.2° | 106.8° |
| C3 | C2 | O2 | 110.1° | 109.4° |
| C3 | C2 | HC2 | 109.2° | 109.5° |
| C2 | C3 | C4 | 110.0° | 109.5° |
| C2 | C3 | O3 | 106.4° | 109.5° |
| C2 | C3 | HC3 | 109.2° | 109.4° |
| O2 | C2 | HC2 | 109.2° | 109.4° |
| C2 | O2 | HO2 | 109.3° | 106.9° |
| C4 | C3 | O3 | 112.8° | 109.4° |
| C4 | C3 | HC3 | 109.2° | 109.5° |
| C3 | C4 | C5 | 109.5° | 109.5° |
| C3 | C4 | O4 | 110.6° | 109.5° |
| C3 | C4 | HC4 | 109.4° | 109.5° |
| O3 | C3 | HC3 | 109.2° | 109.4° |
| C3 | O3 | P3 | 124.0° | 106.8° |
| C5 | C4 | O4 | 108.5° | 109.5° |
| C5 | C4 | HC4 | 109.4° | 109.4° |
| C4 | C5 | C6 | 109.2° | 109.5° |
| C4 | C5 | O5 | 109.9° | 109.5° |
| C4 | C5 | HC5 | 109.7° | 109.5° |
| O4 | C4 | HC4 | 109.4° | 109.4° |
| C4 | O4 | HO4 | 110.5° | 106.8° |
| C6 | C5 | O5 | 108.6° | 109.5° |
| C6 | C5 | HC5 | 109.7° | 109.5° |
| C5 | C6 | O6 | 108.9° | 109.5° |
| C5 | C6 | HC6 | 109.2° | 109.5° |
| O5 | C5 | HC5 | 109.7° | 109.5° |
| C5 | O5 | HO5 | 108.6° | 106.8° |
| O6 | C6 | HC6 | 109.2° | 109.5° |
| C6 | O6 | HO6 | 109.7° | 106.8° |
| O1 | P1 | O11 | 107.9° | 109.5° |
| O1 | P1 | O12 | 111.4° | 109.5° |
| O1 | P1 | O13 | 107.0° | 109.5° |
| O3 | P3 | O31 | 108.7° | 109.5° |
| O3 | P3 | O32 | 107.6° | 109.5° |
| O3 | P3 | O33 | 107.5° | 109.5° |
| O11 | P1 | O12 | 112.0° | 109.5° |
| O11 | P1 | O13 | 109.2° | 109.5° |
| P1 | O11 | HO11 | 107.9° | 106.8° |
| O12 | P1 | O13 | 109.2° | 109.5° |
| P1 | O13 | C7 | 121.6° | 106.8° |
| O13 | C7 | C8 | 105.1° | 109.5° |
| O13 | C7 | HC71 | 113.8° | 109.4° |
| O13 | C7 | HC72 | 113.9° | 109.5° |
| O31 | P3 | O32 | 109.5° | 109.4° |
| O31 | P3 | O33 | 110.8° | 109.4° |
| P3 | O31 | HO31 | 108.7° | 106.8° |
| O32 | P3 | O33 | 112.6° | 109.5° |
| P3 | O33 | HO33 | 107.5° | 106.8° |
| C8 | C7 | HC71 | 113.8° | 109.4° |
| C8 | C7 | HC72 | 113.8° | 109.4° |
| C7 | C8 | C9 | 110.9° | 109.5° |
| C7 | C8 | O14 | 111.6° | 109.5° |
| C7 | C8 | HC8 | 106.5° | 109.5° |
| HC71 | C7 | HC72 | 96.7° | 109.5° |
| C9 | C8 | O14 | 114.2° | 109.5° |
| C9 | C8 | HC8 | 106.5° | 109.4° |
| C8 | C9 | O15 | 114.2° | 109.5° |
| C8 | C9 | HC91 | 110.5° | 109.5° |
| C8 | C9 | HC92 | 110.5° | 109.4° |
| O14 | C8 | HC8 | 106.5° | 109.4° |
| C8 | O14 | C14 | 120.1° | 120.1° |
| O15 | C9 | HC91 | 110.5° | 109.5° |
| O15 | C9 | HC92 | 110.5° | 109.5° |
| C9 | O15 | C10 | 117.4° | 120.0° |
| HC91 | C9 | HC92 | 99.8° | 109.4° |
| C11 | C10 | O15 | 111.1° | 120.0° |
| C11 | C10 | O16 | 122.2° | 120.0° |
| C10 | C11 | C12 | 116.7° | 109.5° |
| C10 | C11 | H111 | 109.6° | 109.4° |
| C10 | C11 | H112 | 109.6° | 109.5° |
| O15 | C10 | O16 | 126.0° | 120.0° |
| C12 | C11 | H111 | 109.6° | 109.5° |
| C12 | C11 | H112 | 109.6° | 109.5° |
| C11 | C12 | C13 | 113.0° | 109.5° |
| C11 | C12 | H121 | 110.9° | 109.5° |
| C11 | C12 | H122 | 110.9° | 109.5° |
| H111 | C11 | H112 | 100.5° | 109.5° |
| C13 | C12 | H121 | 110.9° | 109.5° |
| C13 | C12 | H122 | 110.9° | 109.4° |
| C12 | C13 | H131 | 113.0° | 109.5° |
| C12 | C13 | H132 | 110.9° | 109.4° |
| C12 | C13 | H133 | 110.9° | 109.5° |
| H121 | C12 | H122 | 99.4° | 109.5° |
| H131 | C13 | H132 | 110.9° | 109.4° |
| H131 | C13 | H133 | 110.9° | 109.5° |
| H132 | C13 | H133 | 99.4° | 109.5° |
| C15 | C14 | O14 | 111.1° | 120.0° |
| C15 | C14 | O17 | 120.8° | 120.0° |
| C14 | C15 | C16 | 114.8° | 109.5° |
| C14 | C15 | H151 | 110.3° | 109.4° |
| C14 | C15 | H152 | 110.3° | 109.4° |
| O14 | C14 | O17 | 126.0° | 120.0° |
| C16 | C15 | H151 | 110.2° | 109.5° |
| C16 | C15 | H152 | 110.3° | 109.5° |
| C15 | C16 | C17 | 112.1° | 109.5° |
| C15 | C16 | H161 | 111.3° | 109.5° |
| C15 | C16 | H162 | 111.3° | 109.4° |
| H151 | C15 | H152 | 100.0° | 109.5° |
| C17 | C16 | H161 | 111.3° | 109.5° |
| C17 | C16 | H162 | 111.2° | 109.5° |
| C16 | C17 | H171 | 112.1° | 109.5° |
| C16 | C17 | H172 | 111.3° | 109.5° |
| C16 | C17 | H173 | 111.2° | 109.5° |
| H161 | C16 | H162 | 99.1° | 109.4° |
| H171 | C17 | H172 | 111.2° | 109.5° |
| H171 | C17 | H173 | 111.3° | 109.5° |
| H172 | C17 | H173 | 99.1° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O1 | 119.2° | 120.1° |
| C2 | C1 | C6 | HC1 | 121.0° | 120.0° |
| C2 | C1 | O1 | HC1 | 119.0° | 120.0° |
| C1 | C2 | C3 | O2 | 120.4° | 120.0° |
| C1 | C2 | C3 | HC2 | 119.7° | 120.1° |
| C1 | C2 | O2 | HC2 | 119.3° | 120.0° |
| C1 | C2 | C3 | C4 | 57.4° | 60.0° |
| C1 | C2 | C3 | O3 | 179.9° | 180.0° |
| C1 | C2 | C3 | HC3 | 62.4° | 60.1° |
| C2 | C1 | C6 | C5 | 58.0° | 59.9° |
| C2 | C1 | C6 | O6 | 178.2° | 180.0° |
| C2 | C1 | C6 | HC6 | 62.2° | 60.0° |
| C2 | C1 | O1 | P1 | 94.7° | 120.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 179.9° |
| C6 | C1 | O1 | HC1 | 119.8° | 120.0° |
| C6 | C1 | C2 | C3 | 56.8° | 59.9° |
| C6 | C1 | C2 | O2 | 64.2° | 60.0° |
| C6 | C1 | C2 | HC2 | 176.5° | 180.0° |
| C1 | C6 | C5 | C4 | 59.1° | 60.0° |
| C1 | C6 | C5 | O6 | 120.7° | 120.0° |
| C1 | C6 | C5 | HC6 | 120.2° | 119.9° |
| C1 | C6 | C5 | O5 | 178.9° | 180.0° |
| C1 | C6 | C5 | HC5 | 61.1° | 60.0° |
| C1 | C6 | O6 | HC6 | 119.6° | 120.0° |
| C6 | C1 | O1 | P1 | 144.1° | 120.0° |
| C1 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O1 | C1 | C2 | C3 | 176.7° | 180.0° |
| O1 | C1 | C2 | O2 | 55.8° | 60.0° |
| O1 | C1 | C2 | HC2 | 63.5° | 59.9° |
| O1 | C1 | C6 | C5 | 177.2° | 180.0° |
| O1 | C1 | C6 | O6 | 62.6° | 59.9° |
| O1 | C1 | C6 | HC6 | 57.0° | 60.1° |
| C1 | O1 | P1 | O11 | 151.4° | 60.0° |
| C1 | O1 | P1 | O12 | 28.1° | 60.0° |
| C1 | O1 | P1 | O13 | 91.2° | 180.0° |
| HC1 | C1 | C2 | C3 | 64.2° | 60.0° |
| HC1 | C1 | C2 | O2 | 174.8° | 180.0° |
| HC1 | C1 | C2 | HC2 | 55.5° | 60.1° |
| HC1 | C1 | C6 | C5 | 63.0° | 60.0° |
| HC1 | C1 | C6 | O6 | 57.2° | 60.0° |
| HC1 | C1 | C6 | HC6 | 176.8° | 180.0° |
| HC1 | C1 | O1 | P1 | 24.3° | 0.0° |
| C3 | C2 | O2 | HC2 | 119.8° | 120.0° |
| C2 | C3 | C4 | O3 | 118.6° | 120.0° |
| C2 | C3 | C4 | HC3 | 119.8° | 120.0° |
| C2 | C3 | O3 | HC3 | 117.7° | 119.9° |
| C2 | C3 | C4 | C5 | 59.5° | 60.0° |
| C2 | C3 | C4 | O4 | 179.0° | 180.0° |
| C2 | C3 | C4 | HC4 | 60.4° | 60.0° |
| C3 | C2 | O2 | HO2 | 59.2° | 60.0° |
| C2 | C3 | O3 | P3 | 147.9° | 119.9° |
| O2 | C2 | C3 | C4 | 63.1° | 60.0° |
| O2 | C2 | C3 | O3 | 59.4° | 60.0° |
| O2 | C2 | C3 | HC3 | 177.1° | 179.9° |
| HC2 | C2 | C3 | C4 | 177.1° | 179.9° |
| HC2 | C2 | C3 | O3 | 60.4° | 60.0° |
| HC2 | C2 | C3 | HC3 | 57.3° | 60.0° |
| HC2 | C2 | O2 | HO2 | 60.7° | 60.0° |
| C4 | C3 | O3 | HC3 | 121.6° | 120.1° |
| C3 | C4 | C5 | O4 | 120.8° | 120.0° |
| C3 | C4 | C5 | HC4 | 119.9° | 120.1° |
| C3 | C4 | O4 | HC4 | 120.5° | 120.1° |
| C3 | C4 | C5 | C6 | 59.8° | 60.0° |
| C3 | C4 | C5 | O5 | 178.8° | 180.0° |
| C3 | C4 | C5 | HC5 | 60.5° | 60.0° |
| C4 | C3 | O3 | P3 | 91.4° | 120.0° |
| C3 | C4 | O4 | HO4 | 180.0° | 179.9° |
| O3 | C3 | C4 | C5 | 178.1° | 180.0° |
| O3 | C3 | C4 | O4 | 62.4° | 60.0° |
| O3 | C3 | C4 | HC4 | 58.2° | 60.0° |
| C3 | O3 | P3 | O31 | 65.3° | 180.0° |
| C3 | O3 | P3 | O32 | 53.2° | 60.1° |
| C3 | O3 | P3 | O33 | 174.8° | 60.0° |
| HC3 | C3 | C4 | C5 | 60.3° | 60.0° |
| HC3 | C3 | C4 | O4 | 59.2° | 60.0° |
| HC3 | C3 | C4 | HC4 | 179.8° | 180.0° |
| HC3 | C3 | O3 | P3 | 30.2° | 0.0° |
| C5 | C4 | O4 | HC4 | 119.3° | 119.9° |
| C4 | C5 | C6 | O5 | 119.8° | 120.0° |
| C4 | C5 | C6 | HC5 | 120.3° | 120.0° |
| C4 | C5 | O5 | HC5 | 120.7° | 120.0° |
| C4 | C5 | C6 | O6 | 179.8° | 180.0° |
| C4 | C5 | C6 | HC6 | 61.0° | 60.0° |
| C5 | C4 | O4 | HO4 | 59.9° | 59.9° |
| C4 | C5 | O5 | HO5 | 60.6° | 60.0° |
| O4 | C4 | C5 | C6 | 179.4° | 180.0° |
| O4 | C4 | C5 | O5 | 60.4° | 60.0° |
| O4 | C4 | C5 | HC5 | 60.3° | 60.0° |
| HC4 | C4 | C5 | C6 | 60.1° | 60.0° |
| HC4 | C4 | C5 | O5 | 58.9° | 59.9° |
| HC4 | C4 | C5 | HC5 | 179.7° | 180.0° |
| HC4 | C4 | O4 | HO4 | 59.4° | 60.0° |
| C6 | C5 | O5 | HC5 | 119.9° | 120.0° |
| C5 | C6 | O6 | HC6 | 119.2° | 120.0° |
| C6 | C5 | O5 | HO5 | 180.0° | 180.0° |
| C5 | C6 | O6 | HO6 | 58.7° | 60.0° |
| O5 | C5 | C6 | O6 | 60.4° | 60.0° |
| O5 | C5 | C6 | HC6 | 58.8° | 60.0° |
| HC5 | C5 | C6 | O6 | 59.5° | 60.0° |
| HC5 | C5 | C6 | HC6 | 178.7° | 180.0° |
| HC5 | C5 | O5 | HO5 | 60.1° | 60.0° |
| HC6 | C6 | O6 | HO6 | 60.4° | 60.0° |
| O1 | P1 | O11 | O12 | 122.9° | 120.0° |
| O1 | P1 | O11 | O13 | 116.0° | 120.0° |
| O1 | P1 | O12 | O13 | 118.0° | 120.0° |
| O1 | P1 | O11 | HO11 | 180.0° | 60.0° |
| O1 | P1 | O13 | C7 | 82.7° | 180.0° |
| O3 | P3 | O31 | O32 | 117.3° | 120.0° |
| O3 | P3 | O31 | O33 | 117.9° | 120.0° |
| O3 | P3 | O32 | O33 | 118.3° | 120.1° |
| O3 | P3 | O31 | HO31 | 180.0° | 180.0° |
| O3 | P3 | O33 | HO33 | 180.0° | 60.0° |
| O11 | P1 | O12 | O13 | 121.1° | 120.0° |
| O11 | P1 | O13 | C7 | 33.9° | 60.0° |
| O12 | P1 | O11 | HO11 | 57.1° | 180.0° |
| O12 | P1 | O13 | C7 | 156.6° | 60.0° |
| O13 | P1 | O11 | HO11 | 64.0° | 60.0° |
| P1 | O13 | C7 | C8 | 105.6° | 180.0° |
| P1 | O13 | C7 | HC71 | 129.1° | 60.0° |
| P1 | O13 | C7 | HC72 | 19.6° | 60.0° |
| O13 | C7 | C8 | HC71 | 125.2° | 120.0° |
| O13 | C7 | C8 | HC72 | 125.3° | 120.0° |
| O13 | C7 | HC71 | HC72 | 119.8° | 120.0° |
| O13 | C7 | C8 | C9 | 90.6° | 180.0° |
| O13 | C7 | C8 | O14 | 140.8° | 60.0° |
| O13 | C7 | C8 | HC8 | 24.9° | 60.0° |
| O31 | P3 | O32 | O33 | 123.8° | 119.9° |
| O31 | P3 | O33 | HO33 | 61.4° | 60.0° |
| O32 | P3 | O31 | HO31 | 62.8° | 60.0° |
| O32 | P3 | O33 | HO33 | 61.7° | 180.0° |
| O33 | P3 | O31 | HO31 | 62.1° | 60.0° |
| C8 | C7 | HC71 | HC72 | 119.8° | 119.9° |
| C7 | C8 | C9 | O14 | 127.2° | 120.1° |
| C7 | C8 | C9 | HC8 | 115.5° | 120.0° |
| C7 | C8 | O14 | HC8 | 115.9° | 120.0° |
| C7 | C8 | C9 | O15 | 135.4° | 180.0° |
| C7 | C8 | C9 | HC91 | 99.3° | 59.9° |
| C7 | C8 | C9 | HC92 | 10.1° | 60.0° |
| C7 | C8 | O14 | C14 | 104.3° | 150.0° |
| HC71 | C7 | C8 | C9 | 34.6° | 60.0° |
| HC71 | C7 | C8 | O14 | 93.9° | 180.0° |
| HC71 | C7 | C8 | HC8 | 150.2° | 60.0° |
| HC72 | C7 | C8 | C9 | 144.1° | 60.0° |
| HC72 | C7 | C8 | O14 | 15.6° | 60.1° |
| HC72 | C7 | C8 | HC8 | 100.3° | 180.0° |
| C9 | C8 | O14 | HC8 | 117.3° | 119.9° |
| C8 | C9 | O15 | HC91 | 125.3° | 120.1° |
| C8 | C9 | O15 | HC92 | 125.3° | 120.0° |
| C8 | C9 | HC91 | HC92 | 116.3° | 119.9° |
| C8 | C9 | O15 | C10 | 153.0° | 180.0° |
| C9 | C8 | O14 | C14 | 128.8° | 89.9° |
| O14 | C8 | C9 | O15 | 8.2° | 59.9° |
| O14 | C8 | C9 | HC91 | 133.5° | 180.0° |
| O14 | C8 | C9 | HC92 | 117.1° | 60.1° |
| C8 | O14 | C14 | C15 | 163.8° | 180.0° |
| C8 | O14 | C14 | O17 | 0.2° | 0.0° |
| HC8 | C8 | C9 | O15 | 109.1° | 60.0° |
| HC8 | C8 | C9 | HC91 | 16.2° | 60.1° |
| HC8 | C8 | C9 | HC92 | 125.7° | 180.0° |
| HC8 | C8 | O14 | C14 | 11.5° | 30.0° |
| O15 | C9 | HC91 | HC92 | 116.3° | 120.0° |
| C9 | O15 | C10 | C11 | 170.5° | 180.0° |
| C9 | O15 | C10 | O16 | 0.1° | 0.1° |
| HC91 | C9 | O15 | C10 | 81.8° | 59.9° |
| HC92 | C9 | O15 | C10 | 27.7° | 60.0° |
| C11 | C10 | O15 | O16 | 170.6° | 179.9° |
| C10 | C11 | C12 | H111 | 125.3° | 120.0° |
| C10 | C11 | C12 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H112 | 115.4° | 120.0° |
| C10 | C11 | C12 | C13 | 171.7° | 180.0° |
| C10 | C11 | C12 | H121 | 46.4° | 60.0° |
| C10 | C11 | C12 | H122 | 63.1° | 60.1° |
| O15 | C10 | C11 | C12 | 137.9° | 180.0° |
| O15 | C10 | C11 | H111 | 96.8° | 60.0° |
| O15 | C10 | C11 | H112 | 12.6° | 60.0° |
| O16 | C10 | C11 | C12 | 33.1° | 0.0° |
| O16 | C10 | C11 | H111 | 92.2° | 120.0° |
| O16 | C10 | C11 | H112 | 158.4° | 120.0° |
| C12 | C11 | H111 | H112 | 115.4° | 120.0° |
| C11 | C12 | C13 | H121 | 125.3° | 120.1° |
| C11 | C12 | C13 | H122 | 125.2° | 119.9° |
| C11 | C12 | H121 | H122 | 116.8° | 120.0° |
| C11 | C12 | C13 | H131 | 180.0° | 180.0° |
| C11 | C12 | C13 | H132 | 54.7° | 60.1° |
| C11 | C12 | C13 | H133 | 54.7° | 59.9° |
| H111 | C11 | C12 | C13 | 63.0° | 60.0° |
| H111 | C11 | C12 | H121 | 171.7° | 180.0° |
| H111 | C11 | C12 | H122 | 62.2° | 59.9° |
| H112 | C11 | C12 | C13 | 46.4° | 60.0° |
| H112 | C11 | C12 | H121 | 78.9° | 60.0° |
| H112 | C11 | C12 | H122 | 171.6° | 179.9° |
| C13 | C12 | H121 | H122 | 116.8° | 119.9° |
| C12 | C13 | H131 | H132 | 125.3° | 119.9° |
| C12 | C13 | H131 | H133 | 125.3° | 120.1° |
| C12 | C13 | H132 | H133 | 116.8° | 120.0° |
| H121 | C12 | C13 | H131 | 54.7° | 59.9° |
| H121 | C12 | C13 | H132 | 180.0° | 60.0° |
| H121 | C12 | C13 | H133 | 70.6° | 180.0° |
| H122 | C12 | C13 | H131 | 54.8° | 60.1° |
| H122 | C12 | C13 | H132 | 70.5° | 180.0° |
| H122 | C12 | C13 | H133 | 180.0° | 60.0° |
| H131 | C13 | H132 | H133 | 116.8° | 120.0° |
| C15 | C14 | O14 | O17 | 163.6° | 180.0° |
| C14 | C15 | C16 | H151 | 125.2° | 120.0° |
| C14 | C15 | C16 | H152 | 125.3° | 120.0° |
| C14 | C15 | H151 | H152 | 116.1° | 119.9° |
| C14 | C15 | C16 | C17 | 100.4° | 180.0° |
| C14 | C15 | C16 | H161 | 134.4° | 60.0° |
| C14 | C15 | C16 | H162 | 24.9° | 60.0° |
| O14 | C14 | C15 | C16 | 91.8° | 180.0° |
| O14 | C14 | C15 | H151 | 33.4° | 60.0° |
| O14 | C14 | C15 | H152 | 142.9° | 60.0° |
| O17 | C14 | C15 | C16 | 72.7° | 0.0° |
| O17 | C14 | C15 | H151 | 162.0° | 120.0° |
| O17 | C14 | C15 | H152 | 52.5° | 120.0° |
| C16 | C15 | H151 | H152 | 116.1° | 120.0° |
| C15 | C16 | C17 | H161 | 125.3° | 120.0° |
| C15 | C16 | C17 | H162 | 125.3° | 120.0° |
| C15 | C16 | H161 | H162 | 117.2° | 120.0° |
| C15 | C16 | C17 | H171 | 180.0° | 180.0° |
| C15 | C16 | C17 | H172 | 54.7° | 60.0° |
| C15 | C16 | C17 | H173 | 54.7° | 60.0° |
| H151 | C15 | C16 | C17 | 24.9° | 60.0° |
| H151 | C15 | C16 | H161 | 100.4° | 180.0° |
| H151 | C15 | C16 | H162 | 150.1° | 60.0° |
| H152 | C15 | C16 | C17 | 134.4° | 60.0° |
| H152 | C15 | C16 | H161 | 9.1° | 60.0° |
| H152 | C15 | C16 | H162 | 100.4° | 179.9° |
| C17 | C16 | H161 | H162 | 117.1° | 120.0° |
| C16 | C17 | H171 | H172 | 125.3° | 120.0° |
| C16 | C17 | H171 | H173 | 125.3° | 120.0° |
| C16 | C17 | H172 | H173 | 117.1° | 120.0° |
| H161 | C16 | C17 | H171 | 54.7° | 60.0° |
| H161 | C16 | C17 | H172 | 180.0° | 180.0° |
| H161 | C16 | C17 | H173 | 70.5° | 60.0° |
| H162 | C16 | C17 | H171 | 54.7° | 60.0° |
| H162 | C16 | C17 | H172 | 70.5° | 60.0° |
| H162 | C16 | C17 | H173 | NaN° | NaN° |
| H171 | C17 | H172 | H173 | 117.1° | 120.0° |
