PE3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O43 | C42 | sing | 1.43Å | 1.43Å | |
| O43 | H43 | sing | 0.97Å | 0.95Å | |
| C42 | C41 | sing | 1.53Å | 1.53Å | |
| C42 | H421 | sing | 1.09Å | 1.11Å | |
| C42 | H422 | sing | 1.09Å | 1.12Å | |
| C41 | O40 | sing | 1.43Å | 1.44Å | |
| C41 | H411 | sing | 1.09Å | 1.11Å | |
| C41 | H412 | sing | 1.09Å | 1.12Å | |
| O40 | C39 | sing | 1.43Å | 1.44Å | |
| C39 | C38 | sing | 1.53Å | 1.52Å | |
| C39 | H391 | sing | 1.09Å | 1.12Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| C38 | O37 | sing | 1.43Å | 1.44Å | |
| C38 | H381 | sing | 1.09Å | 1.11Å | |
| C38 | H382 | sing | 1.09Å | 1.11Å | |
| O37 | C36 | sing | 1.43Å | 1.44Å | |
| C36 | C35 | sing | 1.53Å | 1.52Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C35 | O34 | sing | 1.43Å | 1.44Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| O34 | C33 | sing | 1.43Å | 1.44Å | |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| C33 | H331 | sing | 1.09Å | 1.12Å | |
| C33 | H332 | sing | 1.09Å | 1.12Å | |
| C32 | O31 | sing | 1.43Å | 1.44Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| O31 | C30 | sing | 1.43Å | 1.44Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C29 | O28 | sing | 1.43Å | 1.43Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| O28 | C27 | sing | 1.43Å | 1.43Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C26 | O25 | sing | 1.43Å | 1.43Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| O25 | C24 | sing | 1.43Å | 1.43Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C23 | O22 | sing | 1.43Å | 1.43Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| O22 | C21 | sing | 1.43Å | 1.43Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C20 | O19 | sing | 1.43Å | 1.42Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| O19 | C18 | sing | 1.43Å | 1.44Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C17 | O16 | sing | 1.43Å | 1.43Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| O16 | C15 | sing | 1.43Å | 1.44Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C14 | O13 | sing | 1.43Å | 1.44Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| O13 | C12 | sing | 1.43Å | 1.43Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C11 | O10 | sing | 1.43Å | 1.44Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| O10 | C9 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C8 | O7 | sing | 1.43Å | 1.44Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| O7 | C6 | sing | 1.43Å | 1.44Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C5 | O4 | sing | 1.43Å | 1.44Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| O4 | C3 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C2 | O1 | sing | 1.43Å | 1.44Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C42 | O43 | H43 | 109.7° | 106.8° |
| O43 | C42 | C41 | 109.7° | 109.5° |
| O43 | C42 | H421 | 112.1° | 109.5° |
| O43 | C42 | H422 | 112.1° | 109.5° |
| C41 | C42 | H421 | 112.1° | 109.4° |
| C41 | C42 | H422 | 112.2° | 109.5° |
| C42 | C41 | O40 | 110.5° | 109.5° |
| C42 | C41 | H411 | 111.9° | 109.5° |
| C42 | C41 | H412 | 111.8° | 109.5° |
| H421 | C42 | H422 | 98.3° | 109.5° |
| O40 | C41 | H411 | 111.8° | 109.5° |
| O40 | C41 | H412 | 111.8° | 109.4° |
| C41 | O40 | C39 | 109.6° | 106.8° |
| H411 | C41 | H412 | 98.5° | 109.5° |
| O40 | C39 | C38 | 111.5° | 109.5° |
| O40 | C39 | H391 | 111.4° | 109.5° |
| O40 | C39 | H392 | 111.4° | 109.5° |
| C38 | C39 | H391 | 111.5° | 109.5° |
| C38 | C39 | H392 | 111.5° | 109.5° |
| C39 | C38 | O37 | 108.3° | 109.5° |
| C39 | C38 | H381 | 112.7° | 109.5° |
| C39 | C38 | H382 | 112.7° | 109.5° |
| H391 | C39 | H392 | 98.9° | 109.5° |
| O37 | C38 | H381 | 112.7° | 109.5° |
| O37 | C38 | H382 | 112.7° | 109.5° |
| C38 | O37 | C36 | 112.0° | 106.8° |
| H381 | C38 | H382 | 97.8° | 109.5° |
| O37 | C36 | C35 | 107.3° | 109.4° |
| O37 | C36 | H361 | 113.0° | 109.5° |
| O37 | C36 | H362 | 113.0° | 109.5° |
| C35 | C36 | H361 | 113.0° | 109.5° |
| C35 | C36 | H362 | 113.0° | 109.5° |
| C36 | C35 | O34 | 112.6° | 109.5° |
| C36 | C35 | H351 | 111.1° | 109.5° |
| C36 | C35 | H352 | 111.1° | 109.4° |
| H361 | C36 | H362 | 97.4° | 109.5° |
| O34 | C35 | H351 | 111.1° | 109.5° |
| O34 | C35 | H352 | 111.0° | 109.5° |
| C35 | O34 | C33 | 111.0° | 106.8° |
| H351 | C35 | H352 | 99.3° | 109.4° |
| O34 | C33 | C32 | 110.4° | 109.5° |
| O34 | C33 | H331 | 111.9° | 109.5° |
| O34 | C33 | H332 | 111.9° | 109.4° |
| C32 | C33 | H331 | 111.9° | 109.5° |
| C32 | C33 | H332 | 111.9° | 109.4° |
| C33 | C32 | O31 | 112.0° | 109.5° |
| C33 | C32 | H321 | 111.3° | 109.5° |
| C33 | C32 | H322 | 111.3° | 109.5° |
| H331 | C33 | H332 | 98.5° | 109.5° |
| O31 | C32 | H321 | 111.3° | 109.5° |
| O31 | C32 | H322 | 111.3° | 109.4° |
| C32 | O31 | C30 | 109.2° | 106.8° |
| H321 | C32 | H322 | 99.1° | 109.5° |
| O31 | C30 | C29 | 110.2° | 109.5° |
| O31 | C30 | H301 | 111.9° | 109.4° |
| O31 | C30 | H302 | 111.9° | 109.5° |
| C29 | C30 | H301 | 112.0° | 109.5° |
| C29 | C30 | H302 | 112.0° | 109.5° |
| C30 | C29 | O28 | 110.6° | 109.5° |
| C30 | C29 | H291 | 111.8° | 109.4° |
| C30 | C29 | H292 | 111.8° | 109.4° |
| H301 | C30 | H302 | 98.4° | 109.5° |
| O28 | C29 | H291 | 111.8° | 109.5° |
| O28 | C29 | H292 | 111.8° | 109.5° |
| C29 | O28 | C27 | 108.6° | 106.8° |
| H291 | C29 | H292 | 98.6° | 109.5° |
| O28 | C27 | C26 | 110.1° | 109.5° |
| O28 | C27 | H271 | 112.0° | 109.5° |
| O28 | C27 | H272 | 112.0° | 109.5° |
| C26 | C27 | H271 | 112.0° | 109.4° |
| C26 | C27 | H272 | 112.0° | 109.4° |
| C27 | C26 | O25 | 109.5° | 109.5° |
| C27 | C26 | H261 | 112.2° | 109.5° |
| C27 | C26 | H262 | 112.2° | 109.4° |
| H271 | C27 | H272 | 98.4° | 109.5° |
| O25 | C26 | H261 | 112.2° | 109.5° |
| O25 | C26 | H262 | 112.2° | 109.4° |
| C26 | O25 | C24 | 111.2° | 106.8° |
| H261 | C26 | H262 | 98.2° | 109.5° |
| O25 | C24 | C23 | 107.3° | 109.5° |
| O25 | C24 | H241 | 113.0° | 109.4° |
| O25 | C24 | H242 | 113.0° | 109.4° |
| C23 | C24 | H241 | 113.0° | 109.5° |
| C23 | C24 | H242 | 113.0° | 109.5° |
| C24 | C23 | O22 | 104.0° | 109.5° |
| C24 | C23 | H231 | 114.3° | 109.5° |
| C24 | C23 | H232 | 114.3° | 109.5° |
| H241 | C24 | H242 | 97.4° | 109.5° |
| O22 | C23 | H231 | 114.3° | 109.5° |
| O22 | C23 | H232 | 114.3° | 109.4° |
| C23 | O22 | C21 | 115.3° | 106.8° |
| H231 | C23 | H232 | 96.2° | 109.5° |
| O22 | C21 | C20 | 97.8° | 109.5° |
| O22 | C21 | H211 | 116.7° | 109.5° |
| O22 | C21 | H212 | 116.7° | 109.4° |
| C20 | C21 | H211 | 116.7° | 109.5° |
| C20 | C21 | H212 | 116.7° | 109.5° |
| C21 | C20 | O19 | 113.7° | 109.5° |
| C21 | C20 | H201 | 110.7° | 109.5° |
| C21 | C20 | H202 | 110.6° | 109.5° |
| H211 | C21 | H212 | 93.7° | 109.5° |
| O19 | C20 | H201 | 110.7° | 109.4° |
| O19 | C20 | H202 | 110.7° | 109.5° |
| C20 | O19 | C18 | 108.8° | 106.8° |
| H201 | C20 | H202 | 99.7° | 109.5° |
| O19 | C18 | C17 | 115.7° | 109.5° |
| O19 | C18 | H181 | 110.0° | 109.5° |
| O19 | C18 | H182 | 110.0° | 109.5° |
| C17 | C18 | H181 | 109.9° | 109.4° |
| C17 | C18 | H182 | 109.9° | 109.5° |
| C18 | C17 | O16 | 112.9° | 109.5° |
| C18 | C17 | H171 | 111.0° | 109.5° |
| C18 | C17 | H172 | 111.0° | 109.5° |
| H181 | C18 | H182 | 100.3° | 109.5° |
| O16 | C17 | H171 | 111.0° | 109.5° |
| O16 | C17 | H172 | 111.0° | 109.4° |
| C17 | O16 | C15 | 109.5° | 106.8° |
| H171 | C17 | H172 | 99.3° | 109.5° |
| O16 | C15 | C14 | 113.1° | 109.5° |
| O16 | C15 | H151 | 110.9° | 109.5° |
| O16 | C15 | H152 | 110.9° | 109.5° |
| C14 | C15 | H151 | 110.9° | 109.4° |
| C14 | C15 | H152 | 110.9° | 109.5° |
| C15 | C14 | O13 | 112.7° | 109.5° |
| C15 | C14 | H141 | 111.0° | 109.5° |
| C15 | C14 | H142 | 111.0° | 109.5° |
| H151 | C15 | H152 | 99.5° | 109.4° |
| O13 | C14 | H141 | 111.0° | 109.4° |
| O13 | C14 | H142 | 111.0° | 109.5° |
| C14 | O13 | C12 | 106.9° | 106.8° |
| H141 | C14 | H142 | 99.3° | 109.5° |
| O13 | C12 | C11 | 112.0° | 109.4° |
| O13 | C12 | H121 | 111.3° | 109.5° |
| O13 | C12 | H122 | 111.3° | 109.5° |
| C11 | C12 | H121 | 111.3° | 109.4° |
| C11 | C12 | H122 | 111.3° | 109.5° |
| C12 | C11 | O10 | 106.7° | 109.5° |
| C12 | C11 | H111 | 113.2° | 109.4° |
| C12 | C11 | H112 | 113.3° | 109.5° |
| H121 | C12 | H122 | 99.1° | 109.5° |
| O10 | C11 | H111 | 113.3° | 109.5° |
| O10 | C11 | H112 | 113.3° | 109.5° |
| C11 | O10 | C9 | 112.5° | 106.8° |
| H111 | C11 | H112 | 97.2° | 109.4° |
| O10 | C9 | C8 | 109.1° | 109.5° |
| O10 | C9 | H91 | 112.3° | 109.4° |
| O10 | C9 | H92 | 112.3° | 109.5° |
| C8 | C9 | H91 | 112.3° | 109.5° |
| C8 | C9 | H92 | 112.3° | 109.5° |
| C9 | C8 | O7 | 110.1° | 109.4° |
| C9 | C8 | H81 | 112.0° | 109.4° |
| C9 | C8 | H82 | 112.0° | 109.4° |
| H91 | C9 | H92 | 98.1° | 109.5° |
| O7 | C8 | H81 | 112.0° | 109.5° |
| O7 | C8 | H82 | 112.0° | 109.5° |
| C8 | O7 | C6 | 111.0° | 106.8° |
| H81 | C8 | H82 | 98.4° | 109.5° |
| O7 | C6 | C5 | 113.5° | 109.5° |
| O7 | C6 | H61 | 110.8° | 109.5° |
| O7 | C6 | H62 | 110.8° | 109.5° |
| C5 | C6 | H61 | 110.7° | 109.5° |
| C5 | C6 | H62 | 110.7° | 109.4° |
| C6 | C5 | O4 | 110.7° | 109.5° |
| C6 | C5 | H51 | 111.8° | 109.5° |
| C6 | C5 | H52 | 111.8° | 109.5° |
| H61 | C6 | H62 | 99.6° | 109.5° |
| O4 | C5 | H51 | 111.7° | 109.5° |
| O4 | C5 | H52 | 111.7° | 109.4° |
| C5 | O4 | C3 | 111.2° | 106.8° |
| H51 | C5 | H52 | 98.6° | 109.5° |
| O4 | C3 | C2 | 110.8° | 109.5° |
| O4 | C3 | H31 | 111.7° | 109.5° |
| O4 | C3 | H32 | 111.7° | 109.5° |
| C2 | C3 | H31 | 111.7° | 109.4° |
| C2 | C3 | H32 | 111.7° | 109.4° |
| C3 | C2 | O1 | 110.6° | 109.5° |
| C3 | C2 | H21 | 111.8° | 109.5° |
| C3 | C2 | H22 | 111.8° | 109.4° |
| H31 | C3 | H32 | 98.7° | 109.5° |
| O1 | C2 | H21 | 111.8° | 109.5° |
| O1 | C2 | H22 | 111.8° | 109.5° |
| C2 | O1 | HO1 | 110.6° | 106.8° |
| H21 | C2 | H22 | 98.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O43 | C42 | C41 | H421 | 125.2° | 120.0° |
| O43 | C42 | C41 | H422 | 125.3° | 120.0° |
| O43 | C42 | H421 | H422 | 118.0° | 120.0° |
| O43 | C42 | C41 | O40 | 176.9° | 65.0° |
| O43 | C42 | C41 | H411 | 51.6° | 175.0° |
| O43 | C42 | C41 | H412 | 57.9° | 55.0° |
| H43 | O43 | C42 | C41 | 180.0° | 180.0° |
| H43 | O43 | C42 | H421 | 54.8° | 60.1° |
| H43 | O43 | C42 | H422 | 54.7° | 60.0° |
| C41 | C42 | H421 | H422 | 118.1° | 120.0° |
| C42 | C41 | O40 | H411 | 125.3° | 120.0° |
| C42 | C41 | O40 | H412 | 125.3° | 120.0° |
| C42 | C41 | H411 | H412 | 117.8° | 120.0° |
| C42 | C41 | O40 | C39 | 115.2° | 180.0° |
| H421 | C42 | C41 | O40 | 57.9° | 55.1° |
| H421 | C42 | C41 | H411 | 176.8° | 65.0° |
| H421 | C42 | C41 | H412 | 67.4° | 175.0° |
| H422 | C42 | C41 | O40 | 51.6° | 175.0° |
| H422 | C42 | C41 | H411 | 73.7° | 55.0° |
| H422 | C42 | C41 | H412 | 176.9° | 65.0° |
| O40 | C41 | H411 | H412 | 117.7° | 120.0° |
| C41 | O40 | C39 | C38 | 98.2° | 180.0° |
| C41 | O40 | C39 | H391 | 27.1° | 60.0° |
| C41 | O40 | C39 | H392 | 136.6° | 60.0° |
| H411 | C41 | O40 | C39 | 10.1° | 60.0° |
| H412 | C41 | O40 | C39 | 119.6° | 60.0° |
| O40 | C39 | C38 | H391 | 125.3° | 120.0° |
| O40 | C39 | C38 | H392 | 125.3° | 120.0° |
| O40 | C39 | H391 | H392 | 117.3° | 120.0° |
| O40 | C39 | C38 | O37 | 169.4° | 65.0° |
| O40 | C39 | C38 | H381 | 65.4° | 175.0° |
| O40 | C39 | C38 | H382 | 44.1° | 55.0° |
| C38 | C39 | H391 | H392 | 117.4° | 120.0° |
| C39 | C38 | O37 | H381 | 125.3° | 120.0° |
| C39 | C38 | O37 | H382 | 125.3° | 120.0° |
| C39 | C38 | H381 | H382 | 118.6° | 120.0° |
| C39 | C38 | O37 | C36 | 127.3° | 180.0° |
| H391 | C39 | C38 | O37 | 44.1° | 55.0° |
| H391 | C39 | C38 | H381 | 169.4° | 65.0° |
| H391 | C39 | C38 | H382 | 81.2° | 175.0° |
| H392 | C39 | C38 | O37 | 65.4° | 175.0° |
| H392 | C39 | C38 | H381 | 59.9° | 55.0° |
| H392 | C39 | C38 | H382 | 169.4° | 65.0° |
| O37 | C38 | H381 | H382 | 118.6° | 120.0° |
| C38 | O37 | C36 | C35 | 178.3° | 180.0° |
| C38 | O37 | C36 | H361 | 53.1° | 60.0° |
| C38 | O37 | C36 | H362 | 56.4° | 60.0° |
| H381 | C38 | O37 | C36 | 2.1° | 60.0° |
| H382 | C38 | O37 | C36 | 107.4° | 60.0° |
| O37 | C36 | C35 | H361 | 125.3° | 120.0° |
| O37 | C36 | C35 | H362 | 125.3° | 120.0° |
| O37 | C36 | H361 | H362 | 119.0° | 120.0° |
| O37 | C36 | C35 | O34 | 176.7° | 65.0° |
| O37 | C36 | C35 | H351 | 58.1° | 175.0° |
| O37 | C36 | C35 | H352 | 51.4° | 55.1° |
| C35 | C36 | H361 | H362 | 118.9° | 120.0° |
| C36 | C35 | O34 | H351 | 125.2° | 120.0° |
| C36 | C35 | O34 | H352 | 125.2° | 120.0° |
| C36 | C35 | H351 | H352 | 117.0° | 119.9° |
| C36 | C35 | O34 | C33 | 106.4° | 180.0° |
| H361 | C36 | C35 | O34 | 51.4° | 55.0° |
| H361 | C36 | C35 | H351 | 176.6° | 65.1° |
| H361 | C36 | C35 | H352 | 73.9° | 175.0° |
| H362 | C36 | C35 | O34 | 58.0° | 175.0° |
| H362 | C36 | C35 | H351 | 67.2° | 55.0° |
| H362 | C36 | C35 | H352 | 176.7° | 65.0° |
| O34 | C35 | H351 | H352 | 116.9° | 120.0° |
| C35 | O34 | C33 | C32 | 135.9° | 180.0° |
| C35 | O34 | C33 | H331 | 98.9° | 60.0° |
| C35 | O34 | C33 | H332 | 10.6° | 60.0° |
| H351 | C35 | O34 | C33 | 18.9° | 60.0° |
| H352 | C35 | O34 | C33 | 128.4° | 60.0° |
| O34 | C33 | C32 | H331 | 125.3° | 120.0° |
| O34 | C33 | C32 | H332 | 125.3° | 120.0° |
| O34 | C33 | H331 | H332 | 117.8° | 120.0° |
| O34 | C33 | C32 | O31 | 91.5° | 65.0° |
| O34 | C33 | C32 | H321 | 33.8° | 175.0° |
| O34 | C33 | C32 | H322 | 143.2° | 54.9° |
| C32 | C33 | H331 | H332 | 117.8° | 120.0° |
| C33 | C32 | O31 | H321 | 125.3° | 120.0° |
| C33 | C32 | O31 | H322 | 125.3° | 120.0° |
| C33 | C32 | H321 | H322 | 117.2° | 120.0° |
| C33 | C32 | O31 | C30 | 92.4° | 180.0° |
| H331 | C33 | C32 | O31 | 143.2° | 55.0° |
| H331 | C33 | C32 | H321 | 91.5° | 65.0° |
| H331 | C33 | C32 | H322 | 17.9° | 175.0° |
| H332 | C33 | C32 | O31 | 33.8° | 175.0° |
| H332 | C33 | C32 | H321 | 159.0° | 55.0° |
| H332 | C33 | C32 | H322 | 91.5° | 65.0° |
| O31 | C32 | H321 | H322 | 117.2° | 120.0° |
| C32 | O31 | C30 | C29 | 175.5° | 180.0° |
| C32 | O31 | C30 | H301 | 59.2° | 60.0° |
| C32 | O31 | C30 | H302 | 50.2° | 60.0° |
| H321 | C32 | O31 | C30 | 142.4° | 60.0° |
| H322 | C32 | O31 | C30 | 32.9° | 60.0° |
| O31 | C30 | C29 | H301 | 125.3° | 119.9° |
| O31 | C30 | C29 | H302 | 125.3° | 120.0° |
| O31 | C30 | H301 | H302 | 117.8° | 120.0° |
| O31 | C30 | C29 | O28 | 179.7° | 65.0° |
| O31 | C30 | C29 | H291 | 54.4° | 175.0° |
| O31 | C30 | C29 | H292 | 55.1° | 55.0° |
| C29 | C30 | H301 | H302 | 117.9° | 120.1° |
| C30 | C29 | O28 | H291 | 125.3° | 120.0° |
| C30 | C29 | O28 | H292 | 125.3° | 120.0° |
| C30 | C29 | H291 | H292 | 117.7° | 119.9° |
| C30 | C29 | O28 | C27 | 159.6° | 180.0° |
| H301 | C30 | C29 | O28 | 55.1° | 54.9° |
| H301 | C30 | C29 | H291 | 179.7° | 65.1° |
| H301 | C30 | C29 | H292 | 70.2° | 175.0° |
| H302 | C30 | C29 | O28 | 54.4° | 175.0° |
| H302 | C30 | C29 | H291 | 70.9° | 55.0° |
| H302 | C30 | C29 | H292 | 179.6° | 64.9° |
| O28 | C29 | H291 | H292 | 117.7° | 120.0° |
| C29 | O28 | C27 | C26 | 177.7° | 180.0° |
| C29 | O28 | C27 | H271 | 57.1° | 60.0° |
| C29 | O28 | C27 | H272 | 52.4° | 60.0° |
| H291 | C29 | O28 | C27 | 34.3° | 60.0° |
| H292 | C29 | O28 | C27 | 75.1° | 60.0° |
| O28 | C27 | C26 | H271 | 125.3° | 120.0° |
| O28 | C27 | C26 | H272 | 125.3° | 120.0° |
| O28 | C27 | H271 | H272 | 117.9° | 120.0° |
| O28 | C27 | C26 | O25 | 170.9° | 65.0° |
| O28 | C27 | C26 | H261 | 63.8° | 175.0° |
| O28 | C27 | C26 | H262 | 45.6° | 55.0° |
| C26 | C27 | H271 | H272 | 117.9° | 120.0° |
| C27 | C26 | O25 | H261 | 125.3° | 120.0° |
| C27 | C26 | O25 | H262 | 125.2° | 119.9° |
| C27 | C26 | H261 | H262 | 118.1° | 120.0° |
| C27 | C26 | O25 | C24 | 86.2° | 180.0° |
| H271 | C27 | C26 | O25 | 45.6° | 55.0° |
| H271 | C27 | C26 | H261 | 170.9° | 65.0° |
| H271 | C27 | C26 | H262 | 79.6° | 175.0° |
| H272 | C27 | C26 | O25 | 63.8° | 175.1° |
| H272 | C27 | C26 | H261 | 61.4° | 55.0° |
| H272 | C27 | C26 | H262 | 170.9° | 65.0° |
| O25 | C26 | H261 | H262 | 118.1° | 120.0° |
| C26 | O25 | C24 | C23 | 128.0° | 180.0° |
| C26 | O25 | C24 | H241 | 106.8° | 60.0° |
| C26 | O25 | C24 | H242 | 2.7° | 60.0° |
| H261 | C26 | O25 | C24 | 39.1° | 60.0° |
| H262 | C26 | O25 | C24 | 148.6° | 60.0° |
| O25 | C24 | C23 | H241 | 125.3° | 120.0° |
| O25 | C24 | C23 | H242 | 125.3° | 119.9° |
| O25 | C24 | H241 | H242 | 119.0° | 120.0° |
| O25 | C24 | C23 | O22 | 174.8° | 65.0° |
| O25 | C24 | C23 | H231 | 60.0° | 175.0° |
| O25 | C24 | C23 | H232 | 49.5° | 54.9° |
| C23 | C24 | H241 | H242 | 119.0° | 120.1° |
| C24 | C23 | O22 | H231 | 125.2° | 120.0° |
| C24 | C23 | O22 | H232 | 125.3° | 120.0° |
| C24 | C23 | H231 | H232 | 120.2° | 120.0° |
| C24 | C23 | O22 | C21 | 175.7° | 180.0° |
| H241 | C24 | C23 | O22 | 49.5° | 55.0° |
| H241 | C24 | C23 | H231 | 174.8° | 65.0° |
| H241 | C24 | C23 | H232 | 75.7° | 174.9° |
| H242 | C24 | C23 | O22 | 59.9° | 175.1° |
| H242 | C24 | C23 | H231 | 65.3° | 55.1° |
| H242 | C24 | C23 | H232 | 174.8° | 65.0° |
| O22 | C23 | H231 | H232 | 120.2° | 120.0° |
| C23 | O22 | C21 | C20 | 150.8° | 180.0° |
| C23 | O22 | C21 | H211 | 25.6° | 60.0° |
| C23 | O22 | C21 | H212 | 83.9° | 60.0° |
| H231 | C23 | O22 | C21 | 50.5° | 60.0° |
| H232 | C23 | O22 | C21 | 59.1° | 60.0° |
| O22 | C21 | C20 | H211 | 125.2° | 120.0° |
| O22 | C21 | C20 | H212 | 125.3° | 120.0° |
| O22 | C21 | H211 | H212 | 122.5° | 120.0° |
| O22 | C21 | C20 | O19 | 142.7° | 65.0° |
| O22 | C21 | C20 | H201 | 17.5° | 175.1° |
| O22 | C21 | C20 | H202 | 92.1° | 55.0° |
| C20 | C21 | H211 | H212 | 122.5° | 120.0° |
| C21 | C20 | O19 | H201 | 125.2° | 120.0° |
| C21 | C20 | O19 | H202 | 125.2° | 120.0° |
| C21 | C20 | H201 | H202 | 116.5° | 120.0° |
| C21 | C20 | O19 | C18 | 125.3° | 180.0° |
| H211 | C21 | C20 | O19 | 92.1° | 55.0° |
| H211 | C21 | C20 | H201 | 142.7° | 65.0° |
| H211 | C21 | C20 | H202 | 33.2° | 175.0° |
| H212 | C21 | C20 | O19 | 17.4° | 175.0° |
| H212 | C21 | C20 | H201 | 107.8° | 55.1° |
| H212 | C21 | C20 | H202 | 142.7° | 65.0° |
| O19 | C20 | H201 | H202 | 116.5° | 120.0° |
| C20 | O19 | C18 | C17 | 66.8° | 180.0° |
| C20 | O19 | C18 | H181 | 58.5° | 60.0° |
| C20 | O19 | C18 | H182 | 168.0° | 60.0° |
| H201 | C20 | O19 | C18 | 109.5° | 60.1° |
| H202 | C20 | O19 | C18 | 0.0° | 60.0° |
| O19 | C18 | C17 | H181 | 125.3° | 120.0° |
| O19 | C18 | C17 | H182 | 125.3° | 120.0° |
| O19 | C18 | H181 | H182 | 115.8° | 120.0° |
| O19 | C18 | C17 | O16 | 77.9° | 64.9° |
| O19 | C18 | C17 | H171 | 156.8° | 175.0° |
| O19 | C18 | C17 | H172 | 47.4° | 55.0° |
| C17 | C18 | H181 | H182 | 115.7° | 120.0° |
| C18 | C17 | O16 | H171 | 125.3° | 120.0° |
| C18 | C17 | O16 | H172 | 125.3° | 120.0° |
| C18 | C17 | H171 | H172 | 116.8° | 120.0° |
| C18 | C17 | O16 | C15 | 118.5° | 180.0° |
| H181 | C18 | C17 | O16 | 47.4° | 55.0° |
| H181 | C18 | C17 | H171 | 77.9° | 65.0° |
| H181 | C18 | C17 | H172 | 172.6° | 175.0° |
| H182 | C18 | C17 | O16 | 156.8° | 175.0° |
| H182 | C18 | C17 | H171 | 31.5° | 55.0° |
| H182 | C18 | C17 | H172 | 77.9° | 65.0° |
| O16 | C17 | H171 | H172 | 116.8° | 120.0° |
| C17 | O16 | C15 | C14 | 148.8° | 180.0° |
| C17 | O16 | C15 | H151 | 23.5° | 60.0° |
| C17 | O16 | C15 | H152 | 86.0° | 60.0° |
| H171 | C17 | O16 | C15 | 116.2° | 60.0° |
| H172 | C17 | O16 | C15 | 6.8° | 60.0° |
| O16 | C15 | C14 | H151 | 125.3° | 120.0° |
| O16 | C15 | C14 | H152 | 125.2° | 120.0° |
| O16 | C15 | H151 | H152 | 116.7° | 120.0° |
| O16 | C15 | C14 | O13 | 69.6° | 65.0° |
| O16 | C15 | C14 | H141 | 55.7° | 175.0° |
| O16 | C15 | C14 | H142 | 165.1° | 55.0° |
| C14 | C15 | H151 | H152 | 116.7° | 120.0° |
| C15 | C14 | O13 | H141 | 125.3° | 120.0° |
| C15 | C14 | O13 | H142 | 125.3° | 120.0° |
| C15 | C14 | H141 | H142 | 116.9° | 120.0° |
| C15 | C14 | O13 | C12 | 152.9° | 180.0° |
| H151 | C15 | C14 | O13 | 165.1° | 55.0° |
| H151 | C15 | C14 | H141 | 69.6° | 65.0° |
| H151 | C15 | C14 | H142 | 39.9° | 175.0° |
| H152 | C15 | C14 | O13 | 55.7° | 175.0° |
| H152 | C15 | C14 | H141 | 179.1° | 55.0° |
| H152 | C15 | C14 | H142 | 69.6° | 65.0° |
| O13 | C14 | H141 | H142 | 116.9° | 120.0° |
| C14 | O13 | C12 | C11 | 151.9° | 180.0° |
| C14 | O13 | C12 | H121 | 82.9° | 60.1° |
| C14 | O13 | C12 | H122 | 26.6° | 60.0° |
| H141 | C14 | O13 | C12 | 81.8° | 60.0° |
| H142 | C14 | O13 | C12 | 27.6° | 60.0° |
| O13 | C12 | C11 | H121 | 125.3° | 119.9° |
| O13 | C12 | C11 | H122 | 125.2° | 120.0° |
| O13 | C12 | H121 | H122 | 117.1° | 120.0° |
| O13 | C12 | C11 | O10 | 167.4° | 65.0° |
| O13 | C12 | C11 | H111 | 42.1° | 175.0° |
| O13 | C12 | C11 | H112 | 67.3° | 55.1° |
| C11 | C12 | H121 | H122 | 117.2° | 120.1° |
| C12 | C11 | O10 | H111 | 125.3° | 120.0° |
| C12 | C11 | O10 | H112 | 125.3° | 120.0° |
| C12 | C11 | H111 | H112 | 119.2° | 120.0° |
| C12 | C11 | O10 | C9 | 177.2° | 180.0° |
| H121 | C12 | C11 | O10 | 67.3° | 55.0° |
| H121 | C12 | C11 | H111 | 167.4° | 65.0° |
| H121 | C12 | C11 | H112 | 58.0° | 175.0° |
| H122 | C12 | C11 | O10 | 42.2° | 175.0° |
| H122 | C12 | C11 | H111 | 83.1° | 55.0° |
| H122 | C12 | C11 | H112 | 167.5° | 64.9° |
| O10 | C11 | H111 | H112 | 119.2° | 120.0° |
| C11 | O10 | C9 | C8 | 100.4° | 180.0° |
| C11 | O10 | C9 | H91 | 134.4° | 60.0° |
| C11 | O10 | C9 | H92 | 24.9° | 59.9° |
| H111 | C11 | O10 | C9 | 57.5° | 60.0° |
| H112 | C11 | O10 | C9 | 51.9° | 59.9° |
| O10 | C9 | C8 | H91 | 125.2° | 120.0° |
| O10 | C9 | C8 | H92 | 125.3° | 120.0° |
| O10 | C9 | H91 | H92 | 118.3° | 120.0° |
| O10 | C9 | C8 | O7 | 168.1° | 65.0° |
| O10 | C9 | C8 | H81 | 66.6° | 175.0° |
| O10 | C9 | C8 | H82 | 42.8° | 55.0° |
| C8 | C9 | H91 | H92 | 118.3° | 120.0° |
| C9 | C8 | O7 | H81 | 125.3° | 120.0° |
| C9 | C8 | O7 | H82 | 125.3° | 120.0° |
| C9 | C8 | H81 | H82 | 117.9° | 120.0° |
| C9 | C8 | O7 | C6 | 161.5° | 180.0° |
| H91 | C9 | C8 | O7 | 42.8° | 55.0° |
| H91 | C9 | C8 | H81 | 168.1° | 65.0° |
| H91 | C9 | C8 | H82 | 82.4° | 175.0° |
| H92 | C9 | C8 | O7 | 66.7° | 175.0° |
| H92 | C9 | C8 | H81 | 58.6° | 55.0° |
| H92 | C9 | C8 | H82 | 168.1° | 65.0° |
| O7 | C8 | H81 | H82 | 117.9° | 120.1° |
| C8 | O7 | C6 | C5 | 68.5° | 180.0° |
| C8 | O7 | C6 | H61 | 166.3° | 60.0° |
| C8 | O7 | C6 | H62 | 56.8° | 60.0° |
| H81 | C8 | O7 | C6 | 36.2° | 60.0° |
| H82 | C8 | O7 | C6 | 73.2° | 60.0° |
| O7 | C6 | C5 | H61 | 125.3° | 120.0° |
| O7 | C6 | C5 | H62 | 125.3° | 120.0° |
| O7 | C6 | H61 | H62 | 116.6° | 120.0° |
| O7 | C6 | C5 | O4 | 61.3° | 65.0° |
| O7 | C6 | C5 | H51 | 173.4° | 175.0° |
| O7 | C6 | C5 | H52 | 63.9° | 54.9° |
| C5 | C6 | H61 | H62 | 116.6° | 120.0° |
| C6 | C5 | O4 | H51 | 125.3° | 120.0° |
| C6 | C5 | O4 | H52 | 125.3° | 120.0° |
| C6 | C5 | H51 | H52 | 117.7° | 120.1° |
| C6 | C5 | O4 | C3 | 106.9° | 180.0° |
| H61 | C6 | C5 | O4 | 63.9° | 55.0° |
| H61 | C6 | C5 | H51 | 61.3° | 65.0° |
| H61 | C6 | C5 | H52 | 170.8° | 175.0° |
| H62 | C6 | C5 | O4 | 173.4° | 175.0° |
| H62 | C6 | C5 | H51 | 48.2° | 55.0° |
| H62 | C6 | C5 | H52 | 61.3° | 65.0° |
| O4 | C5 | H51 | H52 | 117.6° | 119.9° |
| C5 | O4 | C3 | C2 | 88.1° | 180.0° |
| C5 | O4 | C3 | H31 | 37.2° | 60.0° |
| C5 | O4 | C3 | H32 | 146.7° | 60.1° |
| H51 | C5 | O4 | C3 | 127.8° | 60.0° |
| H52 | C5 | O4 | C3 | 18.4° | 60.0° |
| O4 | C3 | C2 | H31 | 125.2° | 120.0° |
| O4 | C3 | C2 | H32 | 125.2° | 120.0° |
| O4 | C3 | H31 | H32 | 117.6° | 120.1° |
| O4 | C3 | C2 | O1 | 55.9° | 65.0° |
| O4 | C3 | C2 | H21 | 178.8° | 175.0° |
| O4 | C3 | C2 | H22 | 69.4° | 55.0° |
| C2 | C3 | H31 | H32 | 117.7° | 119.9° |
| C3 | C2 | O1 | H21 | 125.3° | 120.0° |
| C3 | C2 | O1 | H22 | 125.3° | 120.0° |
| C3 | C2 | H21 | H22 | 117.7° | 119.9° |
| C3 | C2 | O1 | HO1 | 180.0° | 180.0° |
| H31 | C3 | C2 | O1 | 69.3° | 55.0° |
| H31 | C3 | C2 | H21 | 55.9° | 65.0° |
| H31 | C3 | C2 | H22 | 165.4° | 175.1° |
| H32 | C3 | C2 | O1 | 178.8° | 175.0° |
| H32 | C3 | C2 | H21 | 53.6° | 54.9° |
| H32 | C3 | C2 | H22 | 55.9° | 65.0° |
| O1 | C2 | H21 | H22 | 117.7° | 120.0° |
| H21 | C2 | O1 | HO1 | 54.7° | 60.0° |
| H22 | C2 | O1 | HO1 | 54.7° | 60.0° |
