PE8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.43Å | 1.44Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | O4 | sing | 1.43Å | 1.46Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| O4 | C5 | sing | 1.43Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.58Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | O7 | sing | 1.43Å | 1.45Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| O7 | C8 | sing | 1.43Å | 1.46Å | |
| C8 | C9 | sing | 1.53Å | 1.56Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | O10 | sing | 1.43Å | 1.50Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| O10 | C11 | sing | 1.43Å | 1.50Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | O13 | sing | 1.43Å | 1.42Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| O13 | C14 | sing | 1.43Å | 1.45Å | |
| C14 | C15 | sing | 1.53Å | 1.57Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | O16 | sing | 1.43Å | 1.47Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| O16 | C17 | sing | 1.43Å | 1.48Å | |
| C17 | C18 | sing | 1.53Å | 1.57Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C18 | O19 | sing | 1.43Å | 1.45Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| O19 | C20 | sing | 1.43Å | 1.44Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C21 | O22 | sing | 1.43Å | 1.46Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| O22 | C23 | sing | 1.43Å | 1.45Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | O25 | sing | 1.43Å | 1.43Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| O25 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | HO1 | 109.4° | 106.8° |
| O1 | C2 | C3 | 109.4° | 109.4° |
| O1 | C2 | H21 | 112.2° | 109.5° |
| O1 | C2 | H22 | 112.2° | 109.6° |
| C3 | C2 | H21 | 112.3° | 109.4° |
| C3 | C2 | H22 | 112.2° | 109.4° |
| C2 | C3 | O4 | 111.3° | 109.4° |
| C2 | C3 | H31 | 111.6° | 109.5° |
| C2 | C3 | H32 | 111.5° | 109.5° |
| H21 | C2 | H22 | 98.2° | 109.5° |
| O4 | C3 | H31 | 111.5° | 109.5° |
| O4 | C3 | H32 | 111.5° | 109.4° |
| C3 | O4 | C5 | 112.0° | 106.8° |
| H31 | C3 | H32 | 98.9° | 109.5° |
| O4 | C5 | C6 | 110.9° | 109.5° |
| O4 | C5 | H51 | 111.7° | 109.5° |
| O4 | C5 | H52 | 111.7° | 109.4° |
| C6 | C5 | H51 | 111.7° | 109.5° |
| C6 | C5 | H52 | 111.7° | 109.4° |
| C5 | C6 | O7 | 112.4° | 109.5° |
| C5 | C6 | H61 | 111.1° | 109.4° |
| C5 | C6 | H62 | 111.1° | 109.4° |
| H51 | C5 | H52 | 98.7° | 109.5° |
| O7 | C6 | H61 | 111.1° | 109.6° |
| O7 | C6 | H62 | 111.1° | 109.5° |
| C6 | O7 | C8 | 112.1° | 106.8° |
| H61 | C6 | H62 | 99.2° | 109.5° |
| O7 | C8 | C9 | 108.6° | 109.5° |
| O7 | C8 | H81 | 112.5° | 109.5° |
| O7 | C8 | H82 | 112.5° | 109.4° |
| C9 | C8 | H81 | 112.6° | 109.5° |
| C9 | C8 | H82 | 112.5° | 109.5° |
| C8 | C9 | O10 | 113.6° | 109.5° |
| C8 | C9 | H91 | 110.7° | 109.5° |
| C8 | C9 | H92 | 110.7° | 109.5° |
| H81 | C8 | H82 | 97.9° | 109.5° |
| O10 | C9 | H91 | 110.7° | 109.5° |
| O10 | C9 | H92 | 110.7° | 109.4° |
| C9 | O10 | C11 | 113.1° | 106.8° |
| H91 | C9 | H92 | 99.6° | 109.5° |
| O10 | C11 | C12 | 100.6° | 109.5° |
| O10 | C11 | H111 | 115.6° | 109.5° |
| O10 | C11 | H112 | 115.6° | 109.4° |
| C12 | C11 | H111 | 115.6° | 109.5° |
| C12 | C11 | H112 | 115.6° | 109.5° |
| C11 | C12 | O13 | 111.6° | 109.5° |
| C11 | C12 | H121 | 111.4° | 109.5° |
| C11 | C12 | H122 | 111.4° | 109.5° |
| H111 | C11 | H112 | 94.9° | 109.5° |
| O13 | C12 | H121 | 111.4° | 109.5° |
| O13 | C12 | H122 | 111.4° | 109.5° |
| C12 | O13 | C14 | 108.0° | 106.8° |
| H121 | C12 | H122 | 99.0° | 109.4° |
| O13 | C14 | C15 | 111.4° | 109.5° |
| O13 | C14 | H141 | 111.5° | 109.5° |
| O13 | C14 | H142 | 111.5° | 109.5° |
| C15 | C14 | H141 | 111.5° | 109.5° |
| C15 | C14 | H142 | 111.5° | 109.5° |
| C14 | C15 | O16 | 114.4° | 109.5° |
| C14 | C15 | H151 | 110.4° | 109.5° |
| C14 | C15 | H152 | 110.4° | 109.5° |
| H141 | C14 | H142 | 98.9° | 109.4° |
| O16 | C15 | H151 | 110.4° | 109.5° |
| O16 | C15 | H152 | 110.4° | 109.5° |
| C15 | O16 | C17 | 110.4° | 106.8° |
| H151 | C15 | H152 | 99.9° | 109.5° |
| O16 | C17 | C18 | 113.4° | 109.5° |
| O16 | C17 | H171 | 110.8° | 109.5° |
| O16 | C17 | H172 | 110.8° | 109.5° |
| C18 | C17 | H171 | 110.7° | 109.5° |
| C18 | C17 | H172 | 110.8° | 109.4° |
| C17 | C18 | O19 | 111.8° | 109.5° |
| C17 | C18 | H181 | 111.3° | 109.5° |
| C17 | C18 | H182 | 111.3° | 109.5° |
| H171 | C17 | H172 | 99.6° | 109.4° |
| O19 | C18 | H181 | 111.4° | 109.5° |
| O19 | C18 | H182 | 111.4° | 109.5° |
| C18 | O19 | C20 | 110.8° | 106.8° |
| H181 | C18 | H182 | 99.0° | 109.4° |
| O19 | C20 | C21 | 111.4° | 109.5° |
| O19 | C20 | H201 | 111.5° | 109.5° |
| O19 | C20 | H202 | 111.5° | 109.5° |
| C21 | C20 | H201 | 111.5° | 109.5° |
| C21 | C20 | H202 | 111.5° | 109.4° |
| C20 | C21 | O22 | 109.6° | 109.5° |
| C20 | C21 | H211 | 112.2° | 109.4° |
| C20 | C21 | H212 | 112.2° | 109.5° |
| H201 | C20 | H202 | 98.9° | 109.5° |
| O22 | C21 | H211 | 112.2° | 109.5° |
| O22 | C21 | H212 | 112.2° | 109.5° |
| C21 | O22 | C23 | 111.2° | 106.8° |
| H211 | C21 | H212 | 98.2° | 109.5° |
| O22 | C23 | C24 | 110.7° | 109.5° |
| O22 | C23 | H231 | 111.7° | 109.4° |
| O22 | C23 | H232 | 111.8° | 109.6° |
| C24 | C23 | H231 | 111.8° | 109.4° |
| C24 | C23 | H232 | 111.8° | 109.5° |
| C23 | C24 | O25 | 108.9° | 109.4° |
| C23 | C24 | H241 | 112.4° | 109.4° |
| C23 | C24 | H242 | 112.4° | 109.5° |
| H231 | C23 | H232 | 98.7° | 109.4° |
| O25 | C24 | H241 | 112.4° | 109.6° |
| O25 | C24 | H242 | 112.4° | 109.5° |
| C24 | O25 | H25 | 108.9° | 106.8° |
| H241 | C24 | H242 | 98.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | H21 | 125.2° | 120.0° |
| O1 | C2 | C3 | H22 | 125.3° | 120.1° |
| O1 | C2 | H21 | H22 | 118.2° | 120.2° |
| O1 | C2 | C3 | O4 | 75.9° | 60.0° |
| O1 | C2 | C3 | H31 | 49.4° | 60.0° |
| O1 | C2 | C3 | H32 | 158.9° | 180.0° |
| HO1 | O1 | C2 | C3 | 180.0° | 180.0° |
| HO1 | O1 | C2 | H21 | 54.8° | 60.0° |
| HO1 | O1 | C2 | H22 | 54.7° | 60.1° |
| C3 | C2 | H21 | H22 | 118.1° | 119.9° |
| C2 | C3 | O4 | H31 | 125.3° | 120.0° |
| C2 | C3 | O4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 117.4° | 120.1° |
| C2 | C3 | O4 | C5 | 167.0° | 180.0° |
| H21 | C2 | C3 | O4 | 158.9° | 179.9° |
| H21 | C2 | C3 | H31 | 75.9° | 60.0° |
| H21 | C2 | C3 | H32 | 33.6° | 60.0° |
| H22 | C2 | C3 | O4 | 49.4° | 60.0° |
| H22 | C2 | C3 | H31 | 174.6° | 180.0° |
| H22 | C2 | C3 | H32 | 75.9° | 59.9° |
| O4 | C3 | H31 | H32 | 117.4° | 120.0° |
| C3 | O4 | C5 | C6 | 91.9° | 180.0° |
| C3 | O4 | C5 | H51 | 33.4° | 60.0° |
| C3 | O4 | C5 | H52 | 142.8° | 60.1° |
| H31 | C3 | O4 | C5 | 41.7° | 60.0° |
| H32 | C3 | O4 | C5 | 67.8° | 60.1° |
| O4 | C5 | C6 | H51 | 125.3° | 120.1° |
| O4 | C5 | C6 | H52 | 125.3° | 119.9° |
| O4 | C5 | H51 | H52 | 117.6° | 120.0° |
| O4 | C5 | C6 | O7 | 126.1° | 60.0° |
| O4 | C5 | C6 | H61 | 108.6° | 60.1° |
| O4 | C5 | C6 | H62 | 0.9° | 180.0° |
| C6 | C5 | H51 | H52 | 117.6° | 120.0° |
| C5 | C6 | O7 | H61 | 125.3° | 120.0° |
| C5 | C6 | O7 | H62 | 125.2° | 119.9° |
| C5 | C6 | H61 | H62 | 117.0° | 119.9° |
| C5 | C6 | O7 | C8 | 162.5° | 180.0° |
| H51 | C5 | C6 | O7 | 0.8° | 180.0° |
| H51 | C5 | C6 | H61 | 126.1° | 60.0° |
| H51 | C5 | C6 | H62 | 124.4° | 60.0° |
| H52 | C5 | C6 | O7 | 108.6° | 60.0° |
| H52 | C5 | C6 | H61 | 16.6° | 180.0° |
| H52 | C5 | C6 | H62 | 126.1° | 60.0° |
| O7 | C6 | H61 | H62 | 117.0° | 120.1° |
| C6 | O7 | C8 | C9 | 176.1° | 180.0° |
| C6 | O7 | C8 | H81 | 50.8° | 60.0° |
| C6 | O7 | C8 | H82 | 58.6° | 60.0° |
| H61 | C6 | O7 | C8 | 72.2° | 60.0° |
| H62 | C6 | O7 | C8 | 37.3° | 60.1° |
| O7 | C8 | C9 | H81 | 125.3° | 120.0° |
| O7 | C8 | C9 | H82 | 125.3° | 120.0° |
| O7 | C8 | H81 | H82 | 118.5° | 120.0° |
| O7 | C8 | C9 | O10 | 133.5° | 60.0° |
| O7 | C8 | C9 | H91 | 8.2° | 60.0° |
| O7 | C8 | C9 | H92 | 101.2° | 180.0° |
| C9 | C8 | H81 | H82 | 118.5° | 120.1° |
| C8 | C9 | O10 | H91 | 125.3° | 120.0° |
| C8 | C9 | O10 | H92 | 125.3° | 120.0° |
| C8 | C9 | H91 | H92 | 116.5° | 120.0° |
| C8 | C9 | O10 | C11 | 176.3° | 180.0° |
| H81 | C8 | C9 | O10 | 101.3° | 180.0° |
| H81 | C8 | C9 | H91 | 133.4° | 60.0° |
| H81 | C8 | C9 | H92 | 24.0° | 60.0° |
| H82 | C8 | C9 | O10 | 8.2° | 59.9° |
| H82 | C8 | C9 | H91 | 117.1° | 180.0° |
| H82 | C8 | C9 | H92 | 133.5° | 60.0° |
| O10 | C9 | H91 | H92 | 116.5° | 119.9° |
| C9 | O10 | C11 | C12 | 68.7° | 180.0° |
| C9 | O10 | C11 | H111 | 56.6° | 59.9° |
| C9 | O10 | C11 | H112 | 166.1° | 60.0° |
| H91 | C9 | O10 | C11 | 51.1° | 60.0° |
| H92 | C9 | O10 | C11 | 58.4° | 60.0° |
| O10 | C11 | C12 | H111 | 125.3° | 120.0° |
| O10 | C11 | C12 | H112 | 125.3° | 120.0° |
| O10 | C11 | H111 | H112 | 121.4° | 119.9° |
| O10 | C11 | C12 | O13 | 169.2° | 60.0° |
| O10 | C11 | C12 | H121 | 43.9° | 60.1° |
| O10 | C11 | C12 | H122 | 65.6° | 180.0° |
| C12 | C11 | H111 | H112 | 121.4° | 120.0° |
| C11 | C12 | O13 | H121 | 125.3° | 120.0° |
| C11 | C12 | O13 | H122 | 125.2° | 120.0° |
| C11 | C12 | H121 | H122 | 117.3° | 120.0° |
| C11 | C12 | O13 | C14 | 179.6° | 180.0° |
| H111 | C11 | C12 | O13 | 65.5° | 180.0° |
| H111 | C11 | C12 | H121 | 169.2° | 59.9° |
| H111 | C11 | C12 | H122 | 59.7° | 60.0° |
| H112 | C11 | C12 | O13 | 44.0° | 60.0° |
| H112 | C11 | C12 | H121 | 81.3° | 180.0° |
| H112 | C11 | C12 | H122 | 169.2° | 60.0° |
| O13 | C12 | H121 | H122 | 117.3° | 120.0° |
| C12 | O13 | C14 | C15 | 71.1° | 180.0° |
| C12 | O13 | C14 | H141 | 54.1° | 60.0° |
| C12 | O13 | C14 | H142 | 163.6° | 60.0° |
| H121 | C12 | O13 | C14 | 54.3° | 60.0° |
| H122 | C12 | O13 | C14 | 55.2° | 60.0° |
| O13 | C14 | C15 | H141 | 125.3° | 120.0° |
| O13 | C14 | C15 | H142 | 125.3° | 120.0° |
| O13 | C14 | H141 | H142 | 117.4° | 120.0° |
| O13 | C14 | C15 | O16 | 173.4° | 60.0° |
| O13 | C14 | C15 | H151 | 48.1° | 60.0° |
| O13 | C14 | C15 | H152 | 61.4° | 180.0° |
| C15 | C14 | H141 | H142 | 117.4° | 119.9° |
| C14 | C15 | O16 | H151 | 125.3° | 120.0° |
| C14 | C15 | O16 | H152 | 125.3° | 120.0° |
| C14 | C15 | H151 | H152 | 116.3° | 120.0° |
| C14 | C15 | O16 | C17 | 179.3° | 180.0° |
| H141 | C14 | C15 | O16 | 61.4° | 179.9° |
| H141 | C14 | C15 | H151 | 173.4° | 60.1° |
| H141 | C14 | C15 | H152 | 63.9° | 60.0° |
| H142 | C14 | C15 | O16 | 48.1° | 60.0° |
| H142 | C14 | C15 | H151 | 77.2° | 180.0° |
| H142 | C14 | C15 | H152 | 173.4° | 60.0° |
| O16 | C15 | H151 | H152 | 116.3° | 120.0° |
| C15 | O16 | C17 | C18 | 61.3° | 180.0° |
| C15 | O16 | C17 | H171 | 63.9° | 60.0° |
| C15 | O16 | C17 | H172 | 173.4° | 60.0° |
| H151 | C15 | O16 | C17 | 54.1° | 60.0° |
| H152 | C15 | O16 | C17 | 55.4° | 60.0° |
| O16 | C17 | C18 | H171 | 125.3° | 120.0° |
| O16 | C17 | C18 | H172 | 125.3° | 120.0° |
| O16 | C17 | H171 | H172 | 116.6° | 120.0° |
| O16 | C17 | C18 | O19 | 141.2° | 60.0° |
| O16 | C17 | C18 | H181 | 15.9° | 60.0° |
| O16 | C17 | C18 | H182 | 93.5° | 180.0° |
| C18 | C17 | H171 | H172 | 116.6° | 119.9° |
| C17 | C18 | O19 | H181 | 125.3° | 120.0° |
| C17 | C18 | O19 | H182 | 125.3° | 120.1° |
| C17 | C18 | H181 | H182 | 117.2° | 120.0° |
| C17 | C18 | O19 | C20 | 71.4° | 180.0° |
| H171 | C17 | C18 | O19 | 93.6° | 180.0° |
| H171 | C17 | C18 | H181 | 141.1° | 60.0° |
| H171 | C17 | C18 | H182 | 31.7° | 59.9° |
| H172 | C17 | C18 | O19 | 15.9° | 60.0° |
| H172 | C17 | C18 | H181 | 109.4° | 180.0° |
| H172 | C17 | C18 | H182 | 141.2° | 60.0° |
| O19 | C18 | H181 | H182 | 117.3° | 120.0° |
| C18 | O19 | C20 | C21 | 137.7° | 180.0° |
| C18 | O19 | C20 | H201 | 12.4° | 60.0° |
| C18 | O19 | C20 | H202 | 97.0° | 60.1° |
| H181 | C18 | O19 | C20 | 163.3° | 60.0° |
| H182 | C18 | O19 | C20 | 53.8° | 59.9° |
| O19 | C20 | C21 | H201 | 125.3° | 120.0° |
| O19 | C20 | C21 | H202 | 125.3° | 120.0° |
| O19 | C20 | H201 | H202 | 117.4° | 120.1° |
| O19 | C20 | C21 | O22 | 93.6° | 60.0° |
| O19 | C20 | C21 | H211 | 31.7° | 60.0° |
| O19 | C20 | C21 | H212 | 141.2° | 180.0° |
| C21 | C20 | H201 | H202 | 117.4° | 119.9° |
| C20 | C21 | O22 | H211 | 125.3° | 119.9° |
| C20 | C21 | O22 | H212 | 125.3° | 120.0° |
| C20 | C21 | H211 | H212 | 118.1° | 120.0° |
| C20 | C21 | O22 | C23 | 65.8° | 180.0° |
| H201 | C20 | C21 | O22 | 141.2° | 180.0° |
| H201 | C20 | C21 | H211 | 93.6° | 60.0° |
| H201 | C20 | C21 | H212 | 15.9° | 60.0° |
| H202 | C20 | C21 | O22 | 31.7° | 60.0° |
| H202 | C20 | C21 | H211 | 157.0° | 180.0° |
| H202 | C20 | C21 | H212 | 93.6° | 60.0° |
| O22 | C21 | H211 | H212 | 118.1° | 120.0° |
| C21 | O22 | C23 | C24 | 177.1° | 180.0° |
| C21 | O22 | C23 | H231 | 51.9° | 60.1° |
| C21 | O22 | C23 | H232 | 57.6° | 59.9° |
| H211 | C21 | O22 | C23 | 169.0° | 60.1° |
| H212 | C21 | O22 | C23 | 59.5° | 60.0° |
| O22 | C23 | C24 | H231 | 125.2° | 119.9° |
| O22 | C23 | C24 | H232 | 125.3° | 120.1° |
| O22 | C23 | H231 | H232 | 117.7° | 120.1° |
| O22 | C23 | C24 | O25 | 53.4° | 60.1° |
| O22 | C23 | C24 | H241 | 71.9° | 60.0° |
| O22 | C23 | C24 | H242 | 178.7° | 180.0° |
| C24 | C23 | H231 | H232 | 117.7° | 120.0° |
| C23 | C24 | O25 | H241 | 125.3° | 120.0° |
| C23 | C24 | O25 | H242 | 125.3° | 120.0° |
| C23 | C24 | H241 | H242 | 118.3° | 120.0° |
| C23 | C24 | O25 | H25 | 180.0° | 180.0° |
| H231 | C23 | C24 | O25 | 178.7° | 180.0° |
| H231 | C23 | C24 | H241 | 53.4° | 60.0° |
| H231 | C23 | C24 | H242 | 56.1° | 60.0° |
| H232 | C23 | C24 | O25 | 71.8° | 60.1° |
| H232 | C23 | C24 | H241 | 162.9° | 179.9° |
| H232 | C23 | C24 | H242 | 53.4° | 59.9° |
| O25 | C24 | H241 | H242 | 118.3° | 120.0° |
| H241 | C24 | O25 | H25 | 54.7° | 60.0° |
| H242 | C24 | O25 | H25 | 54.8° | 60.0° |
