LMG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O6 | sing | 1.43Å | 1.46Å | |
| C1 | HC1 | sing | 1.09Å | 1.12Å | |
| O1 | C7 | sing | 1.43Å | 1.40Å | |
| C2 | O2 | sing | 1.43Å | 1.41Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | HC2 | sing | 1.09Å | 1.12Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | HC3 | sing | 1.09Å | 1.12Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | HC4 | sing | 1.09Å | 1.12Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | O6 | sing | 1.43Å | 1.45Å | |
| C5 | HC5 | sing | 1.09Å | 1.12Å | |
| O5 | C6 | sing | 1.43Å | 1.43Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C6 | HC61 | sing | 1.09Å | 1.12Å | |
| C6 | HC62 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | HC71 | sing | 1.09Å | 1.12Å | |
| C7 | HC72 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | O7 | sing | 1.45Å | 1.40Å | |
| C8 | HC8 | sing | 1.09Å | 1.11Å | |
| C9 | O8 | sing | 1.45Å | 1.42Å | |
| C9 | HC91 | sing | 1.09Å | 1.11Å | |
| C9 | HC92 | sing | 1.09Å | 1.12Å | |
| O7 | C10 | sing | 1.34Å | 1.39Å | |
| C10 | O9 | doub | 1.21Å | 1.25Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C18 | C19 | sing | 1.53Å | 1.50Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C19 | C20 | sing | 1.53Å | 1.50Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C27 | H273 | sing | 1.09Å | 1.12Å | |
| O8 | C28 | sing | 1.34Å | 1.41Å | |
| C28 | O10 | doub | 1.21Å | 1.24Å | |
| C28 | C29 | sing | 1.51Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | H321 | sing | 1.09Å | 1.11Å | |
| C32 | H322 | sing | 1.09Å | 1.12Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | H331 | sing | 1.09Å | 1.11Å | |
| C33 | H332 | sing | 1.09Å | 1.12Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.11Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C35 | H351 | sing | 1.09Å | 1.12Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C37 | H371 | sing | 1.09Å | 1.11Å | |
| C37 | H372 | sing | 1.09Å | 1.11Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| C38 | H381 | sing | 1.09Å | 1.12Å | |
| C38 | H382 | sing | 1.09Å | 1.12Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C39 | H391 | sing | 1.09Å | 1.12Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C40 | H401 | sing | 1.09Å | 1.12Å | |
| C40 | H402 | sing | 1.09Å | 1.12Å | |
| C41 | C42 | sing | 1.53Å | 1.54Å | |
| C41 | H411 | sing | 1.09Å | 1.11Å | |
| C41 | H412 | sing | 1.09Å | 1.11Å | |
| C42 | C43 | sing | 1.53Å | 1.54Å | |
| C42 | H421 | sing | 1.09Å | 1.11Å | |
| C42 | H422 | sing | 1.09Å | 1.12Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C43 | H431 | sing | 1.09Å | 1.11Å | |
| C43 | H432 | sing | 1.09Å | 1.12Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C44 | H441 | sing | 1.09Å | 1.12Å | |
| C44 | H442 | sing | 1.09Å | 1.11Å | |
| C45 | H451 | sing | 1.09Å | 1.11Å | |
| C45 | H452 | sing | 1.09Å | 1.11Å | |
| C45 | H453 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 109.6° | 109.4° |
| O1 | C1 | O6 | 108.8° | 109.5° |
| O1 | C1 | HC1 | 110.4° | 109.4° |
| C1 | O1 | C7 | 119.2° | 106.8° |
| C2 | C1 | O6 | 110.9° | 109.7° |
| C2 | C1 | HC1 | 108.2° | 109.4° |
| C1 | C2 | O2 | 108.9° | 109.5° |
| C1 | C2 | C3 | 108.2° | 109.0° |
| C1 | C2 | HC2 | 111.1° | 109.6° |
| O6 | C1 | HC1 | 109.0° | 109.4° |
| C1 | O6 | C5 | 113.9° | 107.7° |
| O1 | C7 | C8 | 112.2° | 109.5° |
| O1 | C7 | HC71 | 111.2° | 109.5° |
| O1 | C7 | HC72 | 111.2° | 109.5° |
| O2 | C2 | C3 | 110.6° | 109.5° |
| O2 | C2 | HC2 | 108.7° | 109.6° |
| C2 | O2 | HO2 | 108.9° | 106.8° |
| C3 | C2 | HC2 | 109.4° | 109.5° |
| C2 | C3 | O3 | 110.1° | 109.8° |
| C2 | C3 | C4 | 108.0° | 108.6° |
| C2 | C3 | HC3 | 110.0° | 109.6° |
| O3 | C3 | C4 | 109.3° | 109.6° |
| O3 | C3 | HC3 | 108.7° | 109.6° |
| C3 | O3 | HO3 | 110.1° | 106.8° |
| C4 | C3 | HC3 | 110.8° | 109.6° |
| C3 | C4 | O4 | 108.5° | 109.6° |
| C3 | C4 | C5 | 107.7° | 109.0° |
| C3 | C4 | HC4 | 111.2° | 109.6° |
| O4 | C4 | C5 | 109.3° | 109.5° |
| O4 | C4 | HC4 | 109.7° | 109.5° |
| C4 | O4 | HO4 | 108.4° | 106.8° |
| C5 | C4 | HC4 | 110.5° | 109.5° |
| C4 | C5 | C6 | 110.7° | 109.4° |
| C4 | C5 | O6 | 109.4° | 109.8° |
| C4 | C5 | HC5 | 108.8° | 109.4° |
| C6 | C5 | O6 | 110.0° | 109.5° |
| C6 | C5 | HC5 | 108.2° | 109.4° |
| C5 | C6 | O5 | 112.5° | 109.5° |
| C5 | C6 | HC61 | 111.1° | 109.5° |
| C5 | C6 | HC62 | 111.1° | 109.4° |
| O6 | C5 | HC5 | 109.6° | 109.4° |
| C6 | O5 | HO5 | 112.5° | 106.8° |
| O5 | C6 | HC61 | 111.1° | 109.5° |
| O5 | C6 | HC62 | 111.1° | 109.5° |
| HC61 | C6 | HC62 | 99.3° | 109.5° |
| C8 | C7 | HC71 | 111.2° | 109.4° |
| C8 | C7 | HC72 | 111.3° | 109.5° |
| C7 | C8 | C9 | 110.2° | 109.5° |
| C7 | C8 | O7 | 111.2° | 109.5° |
| C7 | C8 | HC8 | 106.7° | 109.5° |
| HC71 | C7 | HC72 | 99.2° | 109.5° |
| C9 | C8 | O7 | 106.0° | 109.4° |
| C9 | C8 | HC8 | 111.9° | 109.5° |
| C8 | C9 | O8 | 112.0° | 109.5° |
| C8 | C9 | HC91 | 111.3° | 109.4° |
| C8 | C9 | HC92 | 111.3° | 109.5° |
| O7 | C8 | HC8 | 110.9° | 109.4° |
| C8 | O7 | C10 | 118.4° | 120.0° |
| O8 | C9 | HC91 | 111.3° | 109.5° |
| O8 | C9 | HC92 | 111.2° | 109.5° |
| C9 | O8 | C28 | 117.6° | 120.0° |
| HC91 | C9 | HC92 | 99.1° | 109.4° |
| O7 | C10 | O9 | 122.6° | 120.0° |
| O7 | C10 | C11 | 115.5° | 120.0° |
| O9 | C10 | C11 | 122.0° | 120.0° |
| C10 | C11 | C12 | 108.3° | 109.5° |
| C10 | C11 | H111 | 112.6° | 109.5° |
| C10 | C11 | H112 | 112.7° | 109.5° |
| C12 | C11 | H111 | 112.6° | 109.4° |
| C12 | C11 | H112 | 112.6° | 109.5° |
| C11 | C12 | C13 | 112.6° | 109.5° |
| C11 | C12 | H121 | 111.1° | 109.4° |
| C11 | C12 | H122 | 111.0° | 109.5° |
| H111 | C11 | H112 | 97.8° | 109.4° |
| C13 | C12 | H121 | 111.0° | 109.5° |
| C13 | C12 | H122 | 111.1° | 109.5° |
| C12 | C13 | C14 | 109.2° | 109.5° |
| C12 | C13 | H131 | 112.3° | 109.4° |
| C12 | C13 | H132 | 112.3° | 109.5° |
| H121 | C12 | H122 | 99.3° | 109.5° |
| C14 | C13 | H131 | 112.3° | 109.5° |
| C14 | C13 | H132 | 112.3° | 109.5° |
| C13 | C14 | C15 | 106.9° | 109.5° |
| C13 | C14 | H141 | 113.2° | 109.4° |
| C13 | C14 | H142 | 113.1° | 109.5° |
| H131 | C13 | H132 | 98.1° | 109.5° |
| C15 | C14 | H141 | 113.2° | 109.4° |
| C15 | C14 | H142 | 113.2° | 109.5° |
| C14 | C15 | C16 | 110.0° | 109.5° |
| C14 | C15 | H151 | 112.0° | 109.5° |
| C14 | C15 | H152 | 112.0° | 109.5° |
| H141 | C14 | H142 | 97.2° | 109.5° |
| C16 | C15 | H151 | 112.0° | 109.4° |
| C16 | C15 | H152 | 112.0° | 109.5° |
| C15 | C16 | C17 | 105.9° | 109.5° |
| C15 | C16 | H161 | 113.5° | 109.4° |
| C15 | C16 | H162 | 113.5° | 109.5° |
| H151 | C15 | H152 | 98.4° | 109.4° |
| C17 | C16 | H161 | 113.6° | 109.4° |
| C17 | C16 | H162 | 113.5° | 109.5° |
| C16 | C17 | C18 | 110.6° | 109.5° |
| C16 | C17 | H171 | 111.8° | 109.5° |
| C16 | C17 | H172 | 111.8° | 109.5° |
| H161 | C16 | H162 | 96.9° | 109.6° |
| C18 | C17 | H171 | 111.8° | 109.4° |
| C18 | C17 | H172 | 111.8° | 109.5° |
| C17 | C18 | C19 | 109.8° | 109.5° |
| C17 | C18 | H181 | 112.1° | 109.4° |
| C17 | C18 | H182 | 112.1° | 109.5° |
| H171 | C17 | H172 | 98.7° | 109.4° |
| C19 | C18 | H181 | 112.1° | 109.5° |
| C19 | C18 | H182 | 112.1° | 109.5° |
| C18 | C19 | C20 | 107.4° | 109.5° |
| C18 | C19 | H191 | 113.0° | 109.5° |
| C18 | C19 | H192 | 113.0° | 109.5° |
| H181 | C18 | H182 | 98.3° | 109.4° |
| C20 | C19 | H191 | 113.0° | 109.5° |
| C20 | C19 | H192 | 113.0° | 109.4° |
| C19 | C20 | C21 | 107.7° | 109.5° |
| C19 | C20 | H201 | 112.8° | 109.5° |
| C19 | C20 | H202 | 112.9° | 109.4° |
| H191 | C19 | H192 | 97.5° | 109.4° |
| C21 | C20 | H201 | 112.8° | 109.5° |
| C21 | C20 | H202 | 112.8° | 109.5° |
| C20 | C21 | C22 | 108.1° | 109.5° |
| C20 | C21 | H211 | 112.7° | 109.5° |
| C20 | C21 | H212 | 112.7° | 109.5° |
| H201 | C20 | H202 | 97.6° | 109.4° |
| C22 | C21 | H211 | 112.7° | 109.5° |
| C22 | C21 | H212 | 112.7° | 109.4° |
| C21 | C22 | C23 | 110.5° | 109.5° |
| C21 | C22 | H221 | 111.8° | 109.5° |
| C21 | C22 | H222 | 111.8° | 109.4° |
| H211 | C21 | H212 | 97.8° | 109.4° |
| C23 | C22 | H221 | 111.8° | 109.5° |
| C23 | C22 | H222 | 111.8° | 109.4° |
| C22 | C23 | C24 | 110.4° | 109.5° |
| C22 | C23 | H231 | 111.9° | 109.5° |
| C22 | C23 | H232 | 111.9° | 109.5° |
| H221 | C22 | H222 | 98.6° | 109.5° |
| C24 | C23 | H231 | 111.8° | 109.5° |
| C24 | C23 | H232 | 111.8° | 109.4° |
| C23 | C24 | C25 | 109.4° | 109.5° |
| C23 | C24 | H241 | 112.3° | 109.5° |
| C23 | C24 | H242 | 112.2° | 109.4° |
| H231 | C23 | H232 | 98.6° | 109.4° |
| C25 | C24 | H241 | 112.2° | 109.5° |
| C25 | C24 | H242 | 112.2° | 109.5° |
| C24 | C25 | C26 | 109.3° | 109.5° |
| C24 | C25 | H251 | 112.3° | 109.5° |
| C24 | C25 | H252 | 112.2° | 109.5° |
| H241 | C24 | H242 | 98.2° | 109.4° |
| C26 | C25 | H251 | 112.3° | 109.5° |
| C26 | C25 | H252 | 112.3° | 109.4° |
| C25 | C26 | C27 | 110.3° | 109.5° |
| C25 | C26 | H261 | 111.9° | 109.5° |
| C25 | C26 | H262 | 111.9° | 109.4° |
| H251 | C25 | H252 | 98.1° | 109.5° |
| C27 | C26 | H261 | 111.9° | 109.5° |
| C27 | C26 | H262 | 111.9° | 109.5° |
| C26 | C27 | H271 | 110.3° | 109.5° |
| C26 | C27 | H272 | 111.9° | 109.5° |
| C26 | C27 | H273 | 111.9° | 109.5° |
| H261 | C26 | H262 | 98.5° | 109.5° |
| H271 | C27 | H272 | 112.0° | 109.5° |
| H271 | C27 | H273 | 111.9° | 109.5° |
| H272 | C27 | H273 | 98.5° | 109.4° |
| O8 | C28 | O10 | 120.2° | 120.0° |
| O8 | C28 | C29 | 121.6° | 120.0° |
| O10 | C28 | C29 | 118.2° | 120.0° |
| C28 | C29 | C30 | 136.0° | 109.5° |
| C28 | C29 | H291 | 103.2° | 109.5° |
| C28 | C29 | H292 | 103.2° | 109.5° |
| C30 | C29 | H291 | 103.1° | 109.4° |
| C30 | C29 | H292 | 103.2° | 109.5° |
| C29 | C30 | C31 | 111.0° | 109.5° |
| C29 | C30 | H301 | 111.6° | 109.5° |
| C29 | C30 | H302 | 111.6° | 109.5° |
| H291 | C29 | H292 | 105.3° | 109.5° |
| C31 | C30 | H301 | 111.7° | 109.5° |
| C31 | C30 | H302 | 111.7° | 109.5° |
| C30 | C31 | C32 | 109.2° | 109.5° |
| C30 | C31 | H311 | 112.3° | 109.5° |
| C30 | C31 | H312 | 112.3° | 109.5° |
| H301 | C30 | H302 | 98.7° | 109.4° |
| C32 | C31 | H311 | 112.3° | 109.5° |
| C32 | C31 | H312 | 112.3° | 109.5° |
| C31 | C32 | C33 | 110.0° | 109.5° |
| C31 | C32 | H321 | 112.0° | 109.5° |
| C31 | C32 | H322 | 112.0° | 109.5° |
| H311 | C31 | H312 | 98.2° | 109.4° |
| C33 | C32 | H321 | 112.0° | 109.5° |
| C33 | C32 | H322 | 112.0° | 109.5° |
| C32 | C33 | C34 | 111.2° | 109.5° |
| C32 | C33 | H331 | 111.5° | 109.4° |
| C32 | C33 | H332 | 111.5° | 109.4° |
| H321 | C32 | H322 | 98.3° | 109.5° |
| C34 | C33 | H331 | 111.6° | 109.5° |
| C34 | C33 | H332 | 111.6° | 109.4° |
| C33 | C34 | C35 | 107.8° | 109.5° |
| C33 | C34 | H341 | 112.8° | 109.5° |
| C33 | C34 | H342 | 112.8° | 109.5° |
| H331 | C33 | H332 | 98.8° | 109.6° |
| C35 | C34 | H341 | 112.9° | 109.5° |
| C35 | C34 | H342 | 112.9° | 109.5° |
| C34 | C35 | C36 | 110.2° | 109.5° |
| C34 | C35 | H351 | 111.9° | 109.4° |
| C34 | C35 | H352 | 111.9° | 109.4° |
| H341 | C34 | H342 | 97.7° | 109.4° |
| C36 | C35 | H351 | 111.9° | 109.5° |
| C36 | C35 | H352 | 111.9° | 109.5° |
| C35 | C36 | C37 | 110.3° | 109.5° |
| C35 | C36 | H361 | 111.9° | 109.4° |
| C35 | C36 | H362 | 111.9° | 109.5° |
| H351 | C35 | H352 | 98.5° | 109.5° |
| C37 | C36 | H361 | 111.9° | 109.5° |
| C37 | C36 | H362 | 112.0° | 109.4° |
| C36 | C37 | C38 | 112.1° | 109.5° |
| C36 | C37 | H371 | 111.2° | 109.4° |
| C36 | C37 | H372 | 111.2° | 109.4° |
| H361 | C36 | H362 | 98.5° | 109.5° |
| C38 | C37 | H371 | 111.3° | 109.5° |
| C38 | C37 | H372 | 111.3° | 109.5° |
| C37 | C38 | C39 | 108.5° | 109.5° |
| C37 | C38 | H381 | 112.6° | 109.5° |
| C37 | C38 | H382 | 112.6° | 109.5° |
| H371 | C37 | H372 | 99.1° | 109.5° |
| C39 | C38 | H381 | 112.6° | 109.4° |
| C39 | C38 | H382 | 112.6° | 109.4° |
| C38 | C39 | C40 | 108.3° | 109.5° |
| C38 | C39 | H391 | 112.6° | 109.5° |
| C38 | C39 | H392 | 112.7° | 109.4° |
| H381 | C38 | H382 | 97.8° | 109.5° |
| C40 | C39 | H391 | 112.6° | 109.4° |
| C40 | C39 | H392 | 112.7° | 109.4° |
| C39 | C40 | C41 | 111.0° | 109.6° |
| C39 | C40 | H401 | 111.6° | 109.5° |
| C39 | C40 | H402 | 111.6° | 109.5° |
| H391 | C39 | H392 | 97.8° | 109.5° |
| C41 | C40 | H401 | 111.7° | 109.5° |
| C41 | C40 | H402 | 111.6° | 109.4° |
| C40 | C41 | C42 | 107.7° | 109.5° |
| C40 | C41 | H411 | 112.8° | 109.5° |
| C40 | C41 | H412 | 112.9° | 109.4° |
| H401 | C40 | H402 | 98.7° | 109.4° |
| C42 | C41 | H411 | 112.9° | 109.5° |
| C42 | C41 | H412 | 112.9° | 109.5° |
| C41 | C42 | C43 | 111.9° | 109.5° |
| C41 | C42 | H421 | 111.3° | 109.4° |
| C41 | C42 | H422 | 111.3° | 109.5° |
| H411 | C41 | H412 | 97.6° | 109.4° |
| C43 | C42 | H421 | 111.3° | 109.5° |
| C43 | C42 | H422 | 111.4° | 109.5° |
| C42 | C43 | C44 | 111.2° | 109.5° |
| C42 | C43 | H431 | 111.6° | 109.5° |
| C42 | C43 | H432 | 111.5° | 109.5° |
| H421 | C42 | H422 | 99.0° | 109.6° |
| C44 | C43 | H431 | 111.6° | 109.4° |
| C44 | C43 | H432 | 111.6° | 109.4° |
| C43 | C44 | C45 | 110.8° | 109.5° |
| C43 | C44 | H441 | 111.7° | 109.5° |
| C43 | C44 | H442 | 111.7° | 109.5° |
| H431 | C43 | H432 | 98.8° | 109.5° |
| C45 | C44 | H441 | 111.8° | 109.5° |
| C45 | C44 | H442 | 111.7° | 109.4° |
| C44 | C45 | H451 | 110.8° | 109.5° |
| C44 | C45 | H452 | 111.7° | 109.5° |
| C44 | C45 | H453 | 111.7° | 109.5° |
| H441 | C44 | H442 | 98.6° | 109.5° |
| H451 | C45 | H452 | 111.8° | 109.5° |
| H451 | C45 | H453 | 111.7° | 109.5° |
| H452 | C45 | H453 | 98.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O6 | 120.1° | 120.1° |
| O1 | C1 | C2 | HC1 | 120.4° | 119.9° |
| O1 | C1 | O6 | HC1 | 120.4° | 119.9° |
| O1 | C1 | C2 | O2 | 61.2° | 58.7° |
| O1 | C1 | C2 | C3 | 178.6° | 178.6° |
| O1 | C1 | C2 | HC2 | 58.5° | 61.5° |
| O1 | C1 | O6 | C5 | 179.8° | 172.3° |
| C1 | O1 | C7 | C8 | 158.1° | 180.0° |
| C1 | O1 | C7 | HC71 | 76.6° | 60.0° |
| C1 | O1 | C7 | HC72 | 32.8° | 60.0° |
| C2 | C1 | O6 | HC1 | 119.0° | 120.0° |
| C2 | C1 | O1 | C7 | 154.8° | 179.9° |
| C1 | C2 | O2 | C3 | 118.7° | 119.5° |
| C1 | C2 | O2 | HC2 | 121.2° | 120.3° |
| C1 | C2 | C3 | HC2 | 121.2° | 120.0° |
| C1 | C2 | O2 | HO2 | 179.9° | 60.5° |
| C1 | C2 | C3 | O3 | 179.8° | 173.6° |
| C1 | C2 | C3 | C4 | 60.6° | 53.8° |
| C1 | C2 | C3 | HC3 | 60.4° | 65.9° |
| C2 | C1 | O6 | C5 | 59.3° | 67.7° |
| O6 | C1 | O1 | C7 | 83.9° | 59.9° |
| O6 | C1 | C2 | O2 | 178.7° | 178.8° |
| O6 | C1 | C2 | C3 | 58.5° | 61.3° |
| O6 | C1 | C2 | HC2 | 61.5° | 58.5° |
| C1 | O6 | C5 | C4 | 58.8° | 67.6° |
| C1 | O6 | C5 | C6 | 179.3° | 172.3° |
| C1 | O6 | C5 | HC5 | 60.4° | 52.4° |
| HC1 | C1 | O1 | C7 | 35.7° | 60.1° |
| HC1 | C1 | C2 | O2 | 59.2° | 61.1° |
| HC1 | C1 | C2 | C3 | 61.0° | 58.7° |
| HC1 | C1 | C2 | HC2 | 178.9° | 178.6° |
| HC1 | C1 | O6 | C5 | 59.7° | 52.4° |
| O1 | C7 | C8 | HC71 | 125.2° | 120.0° |
| O1 | C7 | C8 | HC72 | 125.2° | 120.0° |
| O1 | C7 | HC71 | HC72 | 117.1° | 120.0° |
| O1 | C7 | C8 | C9 | 67.1° | 60.0° |
| O1 | C7 | C8 | O7 | 175.6° | 59.9° |
| O1 | C7 | C8 | HC8 | 54.6° | 179.9° |
| O2 | C2 | C3 | HC2 | 119.7° | 120.2° |
| O2 | C2 | C3 | O3 | 61.0° | 66.5° |
| O2 | C2 | C3 | C4 | 179.7° | 173.7° |
| O2 | C2 | C3 | HC3 | 58.7° | 54.0° |
| C3 | C2 | O2 | HO2 | 61.2° | 179.9° |
| C2 | C3 | O3 | C4 | 118.5° | 119.2° |
| C2 | C3 | O3 | HC3 | 120.5° | 120.5° |
| C2 | C3 | C4 | HC3 | 120.5° | 119.7° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.8° |
| C2 | C3 | C4 | O4 | 57.6° | 66.2° |
| C2 | C3 | C4 | C5 | 60.6° | 53.7° |
| C2 | C3 | C4 | HC4 | 178.2° | 173.6° |
| HC2 | C2 | O2 | HO2 | 58.9° | 59.8° |
| HC2 | C2 | C3 | O3 | 58.7° | 53.6° |
| HC2 | C2 | C3 | C4 | 60.6° | 66.2° |
| HC2 | C2 | C3 | HC3 | 178.4° | 174.1° |
| O3 | C3 | C4 | HC3 | 119.7° | 120.4° |
| O3 | C3 | C4 | O4 | 62.2° | 53.7° |
| O3 | C3 | C4 | C5 | 179.7° | 173.6° |
| O3 | C3 | C4 | HC4 | 58.5° | 66.5° |
| C4 | C3 | O3 | HO3 | 61.6° | 180.0° |
| C3 | C4 | O4 | C5 | 117.1° | 119.6° |
| C3 | C4 | O4 | HC4 | 121.6° | 120.3° |
| C3 | C4 | C5 | HC4 | 121.6° | 119.9° |
| C3 | C4 | O4 | HO4 | 179.9° | 60.4° |
| C3 | C4 | C5 | C6 | 179.7° | 178.6° |
| C3 | C4 | C5 | O6 | 58.9° | 61.2° |
| C3 | C4 | C5 | HC5 | 60.9° | 58.8° |
| HC3 | C3 | O3 | HO3 | 59.5° | 59.7° |
| HC3 | C3 | C4 | O4 | 178.1° | 174.1° |
| HC3 | C3 | C4 | C5 | 59.9° | 66.0° |
| HC3 | C3 | C4 | HC4 | 61.3° | 53.8° |
| O4 | C4 | C5 | HC4 | 120.8° | 120.1° |
| O4 | C4 | C5 | C6 | 62.7° | 61.4° |
| O4 | C4 | C5 | O6 | 58.8° | 58.7° |
| O4 | C4 | C5 | HC5 | 178.5° | 178.8° |
| C5 | C4 | O4 | HO4 | 62.9° | 180.0° |
| C4 | C5 | C6 | O6 | 121.1° | 120.3° |
| C4 | C5 | C6 | HC5 | 119.2° | 119.8° |
| C4 | C5 | O6 | HC5 | 119.2° | 120.0° |
| C4 | C5 | C6 | O5 | 91.1° | 179.7° |
| C4 | C5 | C6 | HC61 | 34.1° | 59.7° |
| C4 | C5 | C6 | HC62 | 143.7° | 60.3° |
| HC4 | C4 | O4 | HO4 | 58.3° | 59.9° |
| HC4 | C4 | C5 | C6 | 58.1° | 58.8° |
| HC4 | C4 | C5 | O6 | 179.5° | 178.9° |
| HC4 | C4 | C5 | HC5 | 60.8° | 61.0° |
| C6 | C5 | O6 | HC5 | 118.9° | 119.9° |
| C5 | C6 | O5 | HC61 | 125.2° | 120.1° |
| C5 | C6 | O5 | HC62 | 125.3° | 119.9° |
| C5 | C6 | O5 | HO5 | 180.0° | 180.0° |
| C5 | C6 | HC61 | HC62 | 117.0° | 120.0° |
| O6 | C5 | C6 | O5 | 147.8° | 60.0° |
| O6 | C5 | C6 | HC61 | 86.9° | 180.0° |
| O6 | C5 | C6 | HC62 | 22.6° | 60.0° |
| HC5 | C5 | C6 | O5 | 28.1° | 59.9° |
| HC5 | C5 | C6 | HC61 | 153.3° | 60.1° |
| HC5 | C5 | C6 | HC62 | 97.2° | 179.9° |
| O5 | C6 | HC61 | HC62 | 117.0° | 120.0° |
| HO5 | O5 | C6 | HC61 | 54.8° | 60.0° |
| HO5 | O5 | C6 | HC62 | 54.8° | 60.0° |
| C8 | C7 | HC71 | HC72 | 117.2° | 120.0° |
| C7 | C8 | C9 | O7 | 120.5° | 120.0° |
| C7 | C8 | C9 | HC8 | 118.5° | 120.1° |
| C7 | C8 | O7 | HC8 | 118.6° | 120.0° |
| C7 | C8 | C9 | O8 | 60.1° | 60.0° |
| C7 | C8 | C9 | HC91 | 174.6° | 60.0° |
| C7 | C8 | C9 | HC92 | 65.1° | 180.0° |
| C7 | C8 | O7 | C10 | 143.3° | 90.0° |
| HC71 | C7 | C8 | C9 | 58.1° | 60.0° |
| HC71 | C7 | C8 | O7 | 59.1° | 180.0° |
| HC71 | C7 | C8 | HC8 | 179.8° | 60.0° |
| HC72 | C7 | C8 | C9 | 167.7° | 180.0° |
| HC72 | C7 | C8 | O7 | 50.4° | 60.0° |
| HC72 | C7 | C8 | HC8 | 70.7° | 59.9° |
| C9 | C8 | O7 | HC8 | 121.6° | 120.0° |
| C8 | C9 | O8 | HC91 | 125.3° | 120.0° |
| C8 | C9 | O8 | HC92 | 125.2° | 120.0° |
| C8 | C9 | HC91 | HC92 | 117.2° | 120.0° |
| C9 | C8 | O7 | C10 | 96.8° | 150.0° |
| C8 | C9 | O8 | C28 | 178.9° | 180.0° |
| O7 | C8 | C9 | O8 | 60.3° | 60.0° |
| O7 | C8 | C9 | HC91 | 65.0° | 180.0° |
| O7 | C8 | C9 | HC92 | 174.5° | 60.0° |
| C8 | O7 | C10 | O9 | 2.8° | 0.1° |
| C8 | O7 | C10 | C11 | 178.4° | 180.0° |
| HC8 | C8 | C9 | O8 | 178.7° | 180.0° |
| HC8 | C8 | C9 | HC91 | 56.1° | 60.0° |
| HC8 | C8 | C9 | HC92 | 53.5° | 59.9° |
| HC8 | C8 | O7 | C10 | 24.8° | 30.1° |
| O8 | C9 | HC91 | HC92 | 117.1° | 120.0° |
| C9 | O8 | C28 | O10 | 4.3° | 0.1° |
| C9 | O8 | C28 | C29 | 175.8° | 180.0° |
| HC91 | C9 | O8 | C28 | 53.6° | 60.0° |
| HC92 | C9 | O8 | C28 | 55.9° | 59.9° |
| O7 | C10 | O9 | C11 | 178.7° | 179.9° |
| O7 | C10 | C11 | C12 | 65.7° | 180.0° |
| O7 | C10 | C11 | H111 | 59.5° | 60.0° |
| O7 | C10 | C11 | H112 | 169.0° | 60.0° |
| O9 | C10 | C11 | C12 | 113.1° | 0.0° |
| O9 | C10 | C11 | H111 | 121.6° | 119.9° |
| O9 | C10 | C11 | H112 | 12.1° | 120.1° |
| C10 | C11 | C12 | H111 | 125.3° | 120.0° |
| C10 | C11 | C12 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H112 | 118.6° | 120.0° |
| C10 | C11 | C12 | C13 | 171.8° | 180.0° |
| C10 | C11 | C12 | H121 | 46.5° | 60.0° |
| C10 | C11 | C12 | H122 | 62.9° | 60.0° |
| C12 | C11 | H111 | H112 | 118.6° | 120.0° |
| C11 | C12 | C13 | H121 | 125.3° | 119.9° |
| C11 | C12 | C13 | H122 | 125.2° | 120.0° |
| C11 | C12 | H121 | H122 | 116.9° | 120.0° |
| C11 | C12 | C13 | C14 | 174.9° | 180.0° |
| C11 | C12 | C13 | H131 | 49.7° | 60.1° |
| C11 | C12 | C13 | H132 | 59.8° | 60.0° |
| H111 | C11 | C12 | C13 | 62.9° | 60.0° |
| H111 | C11 | C12 | H121 | 171.8° | 180.0° |
| H111 | C11 | C12 | H122 | 62.3° | 60.0° |
| H112 | C11 | C12 | C13 | 46.5° | 60.0° |
| H112 | C11 | C12 | H121 | 78.8° | 60.0° |
| H112 | C11 | C12 | H122 | 171.8° | 180.0° |
| C13 | C12 | H121 | H122 | 116.9° | 120.0° |
| C12 | C13 | C14 | H131 | 125.2° | 119.9° |
| C12 | C13 | C14 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H132 | 118.2° | 120.0° |
| C12 | C13 | C14 | C15 | 176.3° | 180.0° |
| C12 | C13 | C14 | H141 | 58.3° | 60.0° |
| C12 | C13 | C14 | H142 | 51.0° | 60.0° |
| H121 | C12 | C13 | C14 | 59.8° | 60.1° |
| H121 | C12 | C13 | H131 | 174.9° | 180.0° |
| H121 | C12 | C13 | H132 | 65.5° | 60.0° |
| H122 | C12 | C13 | C14 | 49.7° | 60.0° |
| H122 | C12 | C13 | H131 | 75.6° | 60.0° |
| H122 | C12 | C13 | H132 | 175.0° | 180.0° |
| C14 | C13 | H131 | H132 | 118.3° | 120.1° |
| C13 | C14 | C15 | H141 | 125.3° | 119.9° |
| C13 | C14 | C15 | H142 | 125.3° | 120.1° |
| C13 | C14 | H141 | H142 | 119.0° | 120.0° |
| C13 | C14 | C15 | C16 | 163.4° | 180.0° |
| C13 | C14 | C15 | H151 | 38.2° | 60.0° |
| C13 | C14 | C15 | H152 | 71.4° | 59.9° |
| H131 | C13 | C14 | C15 | 51.1° | 60.1° |
| H131 | C13 | C14 | H141 | 176.4° | 180.0° |
| H131 | C13 | C14 | H142 | 74.2° | 60.0° |
| H132 | C13 | C14 | C15 | 58.4° | 60.0° |
| H132 | C13 | C14 | H141 | 66.9° | 60.0° |
| H132 | C13 | C14 | H142 | 176.3° | 180.0° |
| C15 | C14 | H141 | H142 | 119.1° | 120.0° |
| C14 | C15 | C16 | H151 | 125.2° | 120.0° |
| C14 | C15 | C16 | H152 | 125.2° | 120.1° |
| C14 | C15 | H151 | H152 | 117.9° | 120.0° |
| C14 | C15 | C16 | C17 | 166.8° | 180.0° |
| C14 | C15 | C16 | H161 | 41.4° | 60.1° |
| C14 | C15 | C16 | H162 | 68.0° | 60.0° |
| H141 | C14 | C15 | C16 | 71.3° | 60.1° |
| H141 | C14 | C15 | H151 | 163.4° | 180.0° |
| H141 | C14 | C15 | H152 | 53.9° | 60.0° |
| H142 | C14 | C15 | C16 | 38.1° | 59.9° |
| H142 | C14 | C15 | H151 | 87.1° | 60.0° |
| H142 | C14 | C15 | H152 | 163.4° | 180.0° |
| C16 | C15 | H151 | H152 | 118.0° | 120.0° |
| C15 | C16 | C17 | H161 | 125.3° | 119.9° |
| C15 | C16 | C17 | H162 | 125.3° | 120.0° |
| C15 | C16 | H161 | H162 | 119.4° | 120.1° |
| C15 | C16 | C17 | C18 | 152.1° | 180.0° |
| C15 | C16 | C17 | H171 | 26.8° | 60.0° |
| C15 | C16 | C17 | H172 | 82.7° | 59.9° |
| H151 | C15 | C16 | C17 | 68.0° | 60.0° |
| H151 | C15 | C16 | H161 | 166.7° | 179.9° |
| H151 | C15 | C16 | H162 | 57.3° | 60.0° |
| H152 | C15 | C16 | C17 | 41.5° | 59.9° |
| H152 | C15 | C16 | H161 | 83.8° | 59.9° |
| H152 | C15 | C16 | H162 | 166.8° | 179.9° |
| C17 | C16 | H161 | H162 | 119.5° | 120.0° |
| C16 | C17 | C18 | H171 | 125.2° | 120.0° |
| C16 | C17 | C18 | H172 | 125.2° | 120.1° |
| C16 | C17 | H171 | H172 | 117.7° | 120.0° |
| C16 | C17 | C18 | C19 | 79.2° | 180.0° |
| C16 | C17 | C18 | H181 | 46.1° | 60.0° |
| C16 | C17 | C18 | H182 | 155.5° | 60.0° |
| H161 | C16 | C17 | C18 | 82.7° | 60.1° |
| H161 | C16 | C17 | H171 | 152.1° | 179.9° |
| H161 | C16 | C17 | H172 | 42.6° | 60.0° |
| H162 | C16 | C17 | C18 | 26.8° | 60.0° |
| H162 | C16 | C17 | H171 | 98.4° | 60.0° |
| H162 | C16 | C17 | H172 | 152.1° | 179.9° |
| C18 | C17 | H171 | H172 | 117.8° | 120.0° |
| C17 | C18 | C19 | H181 | 125.3° | 120.0° |
| C17 | C18 | C19 | H182 | 125.3° | 120.0° |
| C17 | C18 | H181 | H182 | 118.0° | 120.0° |
| C17 | C18 | C19 | C20 | 172.6° | 180.0° |
| C17 | C18 | C19 | H191 | 47.3° | 60.0° |
| C17 | C18 | C19 | H192 | 62.2° | 60.0° |
| H171 | C17 | C18 | C19 | 155.6° | 60.0° |
| H171 | C17 | C18 | H181 | 79.1° | 180.0° |
| H171 | C17 | C18 | H182 | 30.3° | 60.0° |
| H172 | C17 | C18 | C19 | 46.1° | 60.0° |
| H172 | C17 | C18 | H181 | 171.3° | 60.1° |
| H172 | C17 | C18 | H182 | 79.2° | 180.0° |
| C19 | C18 | H181 | H182 | 118.0° | 120.0° |
| C18 | C19 | C20 | H191 | 125.3° | 120.1° |
| C18 | C19 | C20 | H192 | 125.2° | 120.0° |
| C18 | C19 | H191 | H192 | 118.9° | 120.0° |
| C18 | C19 | C20 | C21 | 175.5° | 180.0° |
| C18 | C19 | C20 | H201 | 50.2° | 59.9° |
| C18 | C19 | C20 | H202 | 59.3° | 60.0° |
| H181 | C18 | C19 | C20 | 62.1° | 60.0° |
| H181 | C18 | C19 | H191 | 172.6° | 180.0° |
| H181 | C18 | C19 | H192 | 63.1° | 60.0° |
| H182 | C18 | C19 | C20 | 47.3° | 60.0° |
| H182 | C18 | C19 | H191 | 78.0° | 60.0° |
| H182 | C18 | C19 | H192 | 172.5° | 180.0° |
| C20 | C19 | H191 | H192 | 118.9° | 120.0° |
| C19 | C20 | C21 | H201 | 125.2° | 120.0° |
| C19 | C20 | C21 | H202 | 125.3° | 120.0° |
| C19 | C20 | H201 | H202 | 118.8° | 120.0° |
| C19 | C20 | C21 | C22 | 179.3° | NaN° |
| C19 | C20 | C21 | H211 | 54.0° | 59.9° |
| C19 | C20 | C21 | H212 | 55.5° | 60.0° |
| H191 | C19 | C20 | C21 | 59.2° | 60.0° |
| H191 | C19 | C20 | H201 | 175.5° | 180.0° |
| H191 | C19 | C20 | H202 | 66.0° | 60.1° |
| H192 | C19 | C20 | C21 | 50.2° | 60.0° |
| H192 | C19 | C20 | H201 | 75.0° | 60.0° |
| H192 | C19 | C20 | H202 | 175.5° | NaN° |
| C21 | C20 | H201 | H202 | 118.8° | 120.0° |
| C20 | C21 | C22 | H211 | 125.3° | 120.1° |
| C20 | C21 | C22 | H212 | 125.2° | 120.0° |
| C20 | C21 | H211 | H212 | 118.7° | 120.0° |
| C20 | C21 | C22 | C23 | 178.7° | 180.0° |
| C20 | C21 | C22 | H221 | 53.5° | 60.0° |
| C20 | C21 | C22 | H222 | 56.0° | 60.1° |
| H201 | C20 | C21 | C22 | 55.5° | 60.0° |
| H201 | C20 | C21 | H211 | 179.2° | 180.0° |
| H201 | C20 | C21 | H212 | 69.7° | 60.0° |
| H202 | C20 | C21 | C22 | 54.0° | 60.0° |
| H202 | C20 | C21 | H211 | 71.3° | 60.0° |
| H202 | C20 | C21 | H212 | 179.2° | 180.0° |
| C22 | C21 | H211 | H212 | 118.6° | 119.9° |
| C21 | C22 | C23 | H221 | 125.3° | 120.0° |
| C21 | C22 | C23 | H222 | 125.3° | 119.9° |
| C21 | C22 | H221 | H222 | 117.8° | 120.0° |
| C21 | C22 | C23 | C24 | 71.1° | 180.0° |
| C21 | C22 | C23 | H231 | 163.6° | 60.0° |
| C21 | C22 | C23 | H232 | 54.1° | 60.0° |
| H211 | C21 | C22 | C23 | 56.0° | 59.9° |
| H211 | C21 | C22 | H221 | 178.8° | 179.9° |
| H211 | C21 | C22 | H222 | 69.3° | 60.0° |
| H212 | C21 | C22 | C23 | 53.5° | 60.0° |
| H212 | C21 | C22 | H221 | 71.7° | 60.0° |
| H212 | C21 | C22 | H222 | 178.8° | 179.9° |
| C23 | C22 | H221 | H222 | 117.7° | 120.0° |
| C22 | C23 | C24 | H231 | 125.2° | 120.1° |
| C22 | C23 | C24 | H232 | 125.3° | 120.0° |
| C22 | C23 | H231 | H232 | 117.8° | 120.0° |
| C22 | C23 | C24 | C25 | 171.9° | 180.0° |
| C22 | C23 | C24 | H241 | 62.9° | 59.9° |
| C22 | C23 | C24 | H242 | 46.6° | 60.0° |
| H221 | C22 | C23 | C24 | 54.1° | 60.0° |
| H221 | C22 | C23 | H231 | 71.1° | 180.0° |
| H221 | C22 | C23 | H232 | 179.3° | 60.0° |
| H222 | C22 | C23 | C24 | 163.5° | 60.1° |
| H222 | C22 | C23 | H231 | 38.3° | 60.0° |
| H222 | C22 | C23 | H232 | 71.2° | 180.0° |
| C24 | C23 | H231 | H232 | 117.7° | 120.0° |
| C23 | C24 | C25 | H241 | 125.3° | 120.0° |
| C23 | C24 | C25 | H242 | 125.3° | 120.0° |
| C23 | C24 | H241 | H242 | 118.2° | 120.0° |
| C23 | C24 | C25 | C26 | 64.4° | 180.0° |
| C23 | C24 | C25 | H251 | 60.9° | 60.0° |
| C23 | C24 | C25 | H252 | 170.3° | 60.0° |
| H231 | C23 | C24 | C25 | 46.6° | 59.9° |
| H231 | C23 | C24 | H241 | 171.9° | 180.0° |
| H231 | C23 | C24 | H242 | 78.7° | 60.0° |
| H232 | C23 | C24 | C25 | 62.9° | 60.0° |
| H232 | C23 | C24 | H241 | 62.4° | 60.0° |
| H232 | C23 | C24 | H242 | 171.9° | NaN° |
| C25 | C24 | H241 | H242 | 118.1° | 120.0° |
| C24 | C25 | C26 | H251 | 125.3° | 120.0° |
| C24 | C25 | C26 | H252 | 125.2° | 120.0° |
| C24 | C25 | H251 | H252 | 118.1° | 120.0° |
| C24 | C25 | C26 | C27 | 179.2° | 180.0° |
| C24 | C25 | C26 | H261 | 54.0° | 59.9° |
| C24 | C25 | C26 | H262 | 55.5° | 60.0° |
| H241 | C24 | C25 | C26 | 170.3° | 60.0° |
| H241 | C24 | C25 | H251 | 64.4° | 180.0° |
| H241 | C24 | C25 | H252 | 45.0° | 60.0° |
| H242 | C24 | C25 | C26 | 60.9° | 60.0° |
| H242 | C24 | C25 | H251 | 173.8° | 60.0° |
| H242 | C24 | C25 | H252 | 64.4° | 180.0° |
| C26 | C25 | H251 | H252 | 118.2° | 120.0° |
| C25 | C26 | C27 | H261 | 125.2° | 120.0° |
| C25 | C26 | C27 | H262 | 125.3° | 120.0° |
| C25 | C26 | H261 | H262 | 117.9° | 119.9° |
| C25 | C26 | C27 | H271 | 180.0° | 180.0° |
| C25 | C26 | C27 | H272 | 54.7° | 60.0° |
| C25 | C26 | C27 | H273 | 54.8° | 60.0° |
| H251 | C25 | C26 | C27 | 55.5° | 60.0° |
| H251 | C25 | C26 | H261 | 179.3° | 180.0° |
| H251 | C25 | C26 | H262 | 69.8° | 60.0° |
| H252 | C25 | C26 | C27 | 54.0° | 60.0° |
| H252 | C25 | C26 | H261 | 71.3° | 60.0° |
| H252 | C25 | C26 | H262 | 179.3° | 180.0° |
| C27 | C26 | H261 | H262 | 117.8° | 120.0° |
| C26 | C27 | H271 | H272 | 125.3° | 120.0° |
| C26 | C27 | H271 | H273 | 125.2° | 120.0° |
| C26 | C27 | H272 | H273 | 117.8° | 120.0° |
| H261 | C26 | C27 | H271 | 54.8° | 60.0° |
| H261 | C26 | C27 | H272 | 179.9° | 180.0° |
| H261 | C26 | C27 | H273 | 70.5° | 60.0° |
| H262 | C26 | C27 | H271 | 54.7° | 60.0° |
| H262 | C26 | C27 | H272 | 70.6° | 60.0° |
| H262 | C26 | C27 | H273 | 179.9° | 180.0° |
| H271 | C27 | H272 | H273 | 117.8° | 120.0° |
| O8 | C28 | O10 | C29 | 179.8° | 179.9° |
| O8 | C28 | C29 | C30 | 179.9° | 180.0° |
| O8 | C28 | C29 | H291 | 54.8° | 60.0° |
| O8 | C28 | C29 | H292 | 54.6° | 60.0° |
| O10 | C28 | C29 | C30 | 0.1° | 0.0° |
| O10 | C28 | C29 | H291 | 125.4° | 120.0° |
| O10 | C28 | C29 | H292 | 125.2° | 120.0° |
| C28 | C29 | C30 | H291 | 125.3° | 120.0° |
| C28 | C29 | C30 | H292 | 125.3° | 120.0° |
| C28 | C29 | H291 | H292 | 107.8° | 120.0° |
| C28 | C29 | C30 | C31 | 51.7° | 180.0° |
| C28 | C29 | C30 | H301 | 73.6° | 60.0° |
| C28 | C29 | C30 | H302 | 177.0° | 60.0° |
| C30 | C29 | H291 | H292 | 107.8° | 120.0° |
| C29 | C30 | C31 | H301 | 125.3° | 120.0° |
| C29 | C30 | C31 | H302 | 125.3° | 120.0° |
| C29 | C30 | H301 | H302 | 117.5° | 120.0° |
| C29 | C30 | C31 | C32 | 160.5° | 180.0° |
| C29 | C30 | C31 | H311 | 74.3° | 59.9° |
| C29 | C30 | C31 | H312 | 35.2° | 60.0° |
| H291 | C29 | C30 | C31 | 177.0° | 60.0° |
| H291 | C29 | C30 | H301 | 51.7° | 180.0° |
| H291 | C29 | C30 | H302 | 57.7° | 60.0° |
| H292 | C29 | C30 | C31 | 73.6° | 60.0° |
| H292 | C29 | C30 | H301 | 161.1° | 60.0° |
| H292 | C29 | C30 | H302 | 51.7° | 180.0° |
| C31 | C30 | H301 | H302 | 117.6° | 120.0° |
| C30 | C31 | C32 | H311 | 125.2° | 120.0° |
| C30 | C31 | C32 | H312 | 125.2° | 120.0° |
| C30 | C31 | H311 | H312 | 118.2° | 119.9° |
| C30 | C31 | C32 | C33 | 138.6° | 180.0° |
| C30 | C31 | C32 | H321 | 96.1° | 60.0° |
| C30 | C31 | C32 | H322 | 13.3° | 60.0° |
| H301 | C30 | C31 | C32 | 35.2° | 60.0° |
| H301 | C30 | C31 | H311 | 160.4° | 180.0° |
| H301 | C30 | C31 | H312 | 90.0° | 60.1° |
| H302 | C30 | C31 | C32 | 74.3° | 60.0° |
| H302 | C30 | C31 | H311 | 51.0° | 60.1° |
| H302 | C30 | C31 | H312 | 160.5° | 180.0° |
| C32 | C31 | H311 | H312 | 118.3° | 120.0° |
| C31 | C32 | C33 | H321 | 125.3° | 120.0° |
| C31 | C32 | C33 | H322 | 125.3° | 120.0° |
| C31 | C32 | H321 | H322 | 117.9° | 120.0° |
| C31 | C32 | C33 | C34 | 82.2° | 180.0° |
| C31 | C32 | C33 | H331 | 152.5° | 60.0° |
| C31 | C32 | C33 | H332 | 43.1° | 60.1° |
| H311 | C31 | C32 | C33 | 13.4° | 60.0° |
| H311 | C31 | C32 | H321 | 138.7° | 180.0° |
| H311 | C31 | C32 | H322 | 111.9° | 60.0° |
| H312 | C31 | C32 | C33 | 96.2° | 60.0° |
| H312 | C31 | C32 | H321 | 29.1° | 60.0° |
| H312 | C31 | C32 | H322 | 138.5° | 180.0° |
| C33 | C32 | H321 | H322 | 117.9° | 120.0° |
| C32 | C33 | C34 | H331 | 125.3° | 120.0° |
| C32 | C33 | C34 | H332 | 125.3° | 119.9° |
| C32 | C33 | H331 | H332 | 117.4° | 120.0° |
| C32 | C33 | C34 | C35 | 174.7° | 180.0° |
| C32 | C33 | C34 | H341 | 60.1° | 60.0° |
| C32 | C33 | C34 | H342 | 49.4° | 60.0° |
| H321 | C32 | C33 | C34 | 43.1° | 60.0° |
| H321 | C32 | C33 | H331 | 82.2° | 180.0° |
| H321 | C32 | C33 | H332 | 168.4° | 60.0° |
| H322 | C32 | C33 | C34 | 152.5° | 60.0° |
| H322 | C32 | C33 | H331 | 27.2° | 60.0° |
| H322 | C32 | C33 | H332 | 82.2° | 180.0° |
| C34 | C33 | H331 | H332 | 117.5° | 120.0° |
| C33 | C34 | C35 | H341 | 125.2° | 120.1° |
| C33 | C34 | C35 | H342 | 125.2° | 120.0° |
| C33 | C34 | H341 | H342 | 118.7° | 120.0° |
| C33 | C34 | C35 | C36 | 177.7° | 180.0° |
| C33 | C34 | C35 | H351 | 52.4° | 60.0° |
| C33 | C34 | C35 | H352 | 57.1° | 60.0° |
| H331 | C33 | C34 | C35 | 49.4° | 60.0° |
| H331 | C33 | C34 | H341 | 174.7° | 180.0° |
| H331 | C33 | C34 | H342 | 75.9° | 60.0° |
| H332 | C33 | C34 | C35 | 60.1° | 60.1° |
| H332 | C33 | C34 | H341 | 65.2° | 59.9° |
| H332 | C33 | C34 | H342 | 174.6° | 179.9° |
| C35 | C34 | H341 | H342 | 118.8° | 120.0° |
| C34 | C35 | C36 | H351 | 125.2° | 120.0° |
| C34 | C35 | C36 | H352 | 125.3° | 120.0° |
| C34 | C35 | H351 | H352 | 117.8° | 120.0° |
| C34 | C35 | C36 | C37 | 150.5° | 180.0° |
| C34 | C35 | C36 | H361 | 25.2° | 60.0° |
| C34 | C35 | C36 | H362 | 84.2° | 60.0° |
| H341 | C34 | C35 | C36 | 57.1° | 60.0° |
| H341 | C34 | C35 | H351 | 177.6° | 180.0° |
| H341 | C34 | C35 | H352 | 68.1° | 60.0° |
| H342 | C34 | C35 | C36 | 52.4° | 60.0° |
| H342 | C34 | C35 | H351 | 72.9° | 60.0° |
| H342 | C34 | C35 | H352 | 177.7° | 180.0° |
| C36 | C35 | H351 | H352 | 117.9° | 120.0° |
| C35 | C36 | C37 | H361 | 125.3° | 120.0° |
| C35 | C36 | C37 | H362 | 125.2° | 120.0° |
| C35 | C36 | H361 | H362 | 117.8° | 120.0° |
| C35 | C36 | C37 | C38 | 67.5° | 180.0° |
| C35 | C36 | C37 | H371 | 57.8° | 60.0° |
| C35 | C36 | C37 | H372 | 167.2° | 60.0° |
| H351 | C35 | C36 | C37 | 84.3° | 60.0° |
| H351 | C35 | C36 | H361 | 150.5° | 180.0° |
| H351 | C35 | C36 | H362 | 41.0° | 60.0° |
| H352 | C35 | C36 | C37 | 25.2° | 60.0° |
| H352 | C35 | C36 | H361 | 100.1° | 60.0° |
| H352 | C35 | C36 | H362 | 150.5° | 180.0° |
| C37 | C36 | H361 | H362 | 117.9° | 120.0° |
| C36 | C37 | C38 | H371 | 125.2° | 120.0° |
| C36 | C37 | C38 | H372 | 125.2° | 120.0° |
| C36 | C37 | H371 | H372 | 117.1° | 120.0° |
| C36 | C37 | C38 | C39 | 175.4° | 180.0° |
| C36 | C37 | C38 | H381 | 59.3° | 60.0° |
| C36 | C37 | C38 | H382 | 50.1° | 60.0° |
| H361 | C36 | C37 | C38 | 167.3° | 60.0° |
| H361 | C36 | C37 | H371 | 67.5° | 180.0° |
| H361 | C36 | C37 | H372 | 42.0° | 60.0° |
| H362 | C36 | C37 | C38 | 57.8° | 60.0° |
| H362 | C36 | C37 | H371 | 177.0° | 60.0° |
| H362 | C36 | C37 | H372 | 67.5° | 180.0° |
| C38 | C37 | H371 | H372 | 117.2° | 120.0° |
| C37 | C38 | C39 | H381 | 125.3° | 120.0° |
| C37 | C38 | C39 | H382 | 125.3° | 120.0° |
| C37 | C38 | H381 | H382 | 118.5° | 120.0° |
| C37 | C38 | C39 | C40 | 177.1° | 180.0° |
| C37 | C38 | C39 | H391 | 57.7° | 60.0° |
| C37 | C38 | C39 | H392 | 51.8° | 60.0° |
| H371 | C37 | C38 | C39 | 50.2° | 60.0° |
| H371 | C37 | C38 | H381 | 175.5° | 180.0° |
| H371 | C37 | C38 | H382 | 75.1° | 59.9° |
| H372 | C37 | C38 | C39 | 59.3° | 60.0° |
| H372 | C37 | C38 | H381 | 66.0° | 59.9° |
| H372 | C37 | C38 | H382 | 175.4° | NaN° |
| C39 | C38 | H381 | H382 | 118.5° | 120.0° |
| C38 | C39 | C40 | H391 | 125.2° | 120.0° |
| C38 | C39 | C40 | H392 | 125.3° | 120.0° |
| C38 | C39 | H391 | H392 | 118.6° | 120.0° |
| C38 | C39 | C40 | C41 | 177.4° | 180.0° |
| C38 | C39 | C40 | H401 | 52.1° | 60.0° |
| C38 | C39 | C40 | H402 | 57.3° | 60.0° |
| H381 | C38 | C39 | C40 | 51.8° | 60.0° |
| H381 | C38 | C39 | H391 | 177.0° | 180.0° |
| H381 | C38 | C39 | H392 | 73.4° | 60.0° |
| H382 | C38 | C39 | C40 | 57.6° | 60.0° |
| H382 | C38 | C39 | H391 | 67.6° | 60.0° |
| H382 | C38 | C39 | H392 | 177.1° | 180.0° |
| C40 | C39 | H391 | H392 | 118.6° | 120.0° |
| C39 | C40 | C41 | H401 | 125.3° | 120.1° |
| C39 | C40 | C41 | H402 | 125.3° | 120.0° |
| C39 | C40 | H401 | H402 | 117.5° | 120.0° |
| C39 | C40 | C41 | C42 | 176.4° | 180.0° |
| C39 | C40 | C41 | H411 | 58.4° | 59.9° |
| C39 | C40 | C41 | H412 | 51.1° | 60.0° |
| H391 | C39 | C40 | C41 | 57.3° | 60.0° |
| H391 | C39 | C40 | H401 | 177.4° | 180.0° |
| H391 | C39 | C40 | H402 | 67.9° | 60.1° |
| H392 | C39 | C40 | C41 | 52.2° | 60.0° |
| H392 | C39 | C40 | H401 | 73.2° | 60.0° |
| H392 | C39 | C40 | H402 | 177.4° | 180.0° |
| C41 | C40 | H401 | H402 | 117.5° | 119.9° |
| C40 | C41 | C42 | H411 | 125.2° | 120.0° |
| C40 | C41 | C42 | H412 | 125.3° | 120.0° |
| C40 | C41 | H411 | H412 | 118.8° | 119.9° |
| C40 | C41 | C42 | C43 | 156.8° | 180.0° |
| C40 | C41 | C42 | H421 | 31.5° | 60.0° |
| C40 | C41 | C42 | H422 | 77.9° | 60.1° |
| H401 | C40 | C41 | C42 | 51.1° | 60.0° |
| H401 | C40 | C41 | H411 | 176.4° | 180.0° |
| H401 | C40 | C41 | H412 | 74.2° | 60.1° |
| H402 | C40 | C41 | C42 | 58.4° | 60.0° |
| H402 | C40 | C41 | H411 | 66.9° | 60.1° |
| H402 | C40 | C41 | H412 | 176.3° | 180.0° |
| C42 | C41 | H411 | H412 | 118.8° | 120.0° |
| C41 | C42 | C43 | H421 | 125.3° | 119.9° |
| C41 | C42 | C43 | H422 | 125.3° | 120.0° |
| C41 | C42 | H421 | H422 | 117.2° | 120.0° |
| C41 | C42 | C43 | C44 | 86.0° | 180.0° |
| C41 | C42 | C43 | H431 | 39.3° | 60.1° |
| C41 | C42 | C43 | H432 | 148.7° | 60.0° |
| H411 | C41 | C42 | C43 | 78.0° | 60.0° |
| H411 | C41 | C42 | H421 | 156.7° | 179.9° |
| H411 | C41 | C42 | H422 | 47.3° | 60.0° |
| H412 | C41 | C42 | C43 | 31.5° | 59.9° |
| H412 | C41 | C42 | H421 | 93.8° | 60.0° |
| H412 | C41 | C42 | H422 | 156.8° | 179.9° |
| C43 | C42 | H421 | H422 | 117.2° | 120.0° |
| C42 | C43 | C44 | H431 | 125.3° | 120.0° |
| C42 | C43 | C44 | H432 | 125.2° | 120.0° |
| C42 | C43 | H431 | H432 | 117.4° | 120.1° |
| C42 | C43 | C44 | C45 | 179.6° | 180.0° |
| C42 | C43 | C44 | H441 | 55.2° | 60.0° |
| C42 | C43 | C44 | H442 | 54.3° | 60.0° |
| H421 | C42 | C43 | C44 | 148.7° | 60.1° |
| H421 | C42 | C43 | H431 | 86.0° | 180.0° |
| H421 | C42 | C43 | H432 | 23.5° | 59.9° |
| H422 | C42 | C43 | C44 | 39.3° | 60.0° |
| H422 | C42 | C43 | H431 | 164.6° | 59.9° |
| H422 | C42 | C43 | H432 | 86.0° | 180.0° |
| C44 | C43 | H431 | H432 | 117.5° | 119.9° |
| C43 | C44 | C45 | H441 | 125.2° | 120.0° |
| C43 | C44 | C45 | H442 | 125.3° | 120.0° |
| C43 | C44 | H441 | H442 | 117.6° | 120.0° |
| C43 | C44 | C45 | H451 | 180.0° | 180.0° |
| C43 | C44 | C45 | H452 | 54.7° | 60.0° |
| C43 | C44 | C45 | H453 | 54.8° | 60.0° |
| H431 | C43 | C44 | C45 | 54.3° | 60.0° |
| H431 | C43 | C44 | H441 | 179.6° | 180.0° |
| H431 | C43 | C44 | H442 | 71.0° | 60.0° |
| H432 | C43 | C44 | C45 | 55.2° | 60.0° |
| H432 | C43 | C44 | H441 | 70.1° | 60.0° |
| H432 | C43 | C44 | H442 | 179.5° | 180.0° |
| C45 | C44 | H441 | H442 | 117.6° | 120.0° |
| C44 | C45 | H451 | H452 | 125.2° | 120.0° |
| C44 | C45 | H451 | H453 | 125.2° | 120.0° |
| C44 | C45 | H452 | H453 | 117.6° | 120.0° |
| H441 | C44 | C45 | H451 | 54.7° | 60.0° |
| H441 | C44 | C45 | H452 | 180.0° | 60.1° |
| H441 | C44 | C45 | H453 | 70.5° | 180.0° |
| H442 | C44 | C45 | H451 | 54.7° | 60.0° |
| H442 | C44 | C45 | H452 | 70.5° | 180.0° |
| H442 | C44 | C45 | H453 | 180.0° | 60.0° |
| H451 | C45 | H452 | H453 | 117.7° | 120.0° |
