XPX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C46 | C45 | sing | 1.53Å | 1.54Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H463 | sing | 1.09Å | 1.10Å | |
| C45 | C44 | sing | 1.53Å | 1.55Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C44 | C43 | sing | 1.53Å | 1.57Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C43 | C42 | sing | 1.53Å | 1.54Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C42 | C41 | sing | 1.53Å | 1.52Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C41 | C40 | sing | 1.53Å | 1.54Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C40 | C39 | sing | 1.53Å | 1.53Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C39 | C38 | sing | 1.53Å | 1.54Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C38 | C37 | sing | 1.53Å | 1.54Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C36 | C35 | sing | 1.53Å | 1.55Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C35 | C34 | sing | 1.53Å | 1.54Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C33 | C32 | sing | 1.53Å | 1.54Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C32 | C31 | sing | 1.51Å | 1.52Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C31 | O20 | doub | 1.21Å | 1.23Å | |
| C31 | O19 | sing | 1.34Å | 1.36Å | |
| O19 | C30 | sing | 1.45Å | 1.48Å | |
| C30 | C13 | sing | 1.53Å | 1.52Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C13 | O17 | sing | 1.45Å | 1.44Å | |
| C13 | C12 | sing | 1.53Å | 1.50Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| O17 | C14 | sing | 1.34Å | 1.36Å | |
| C14 | O18 | doub | 1.21Å | 1.22Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C12 | O16 | sing | 1.43Å | 1.44Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| O16 | P | sing | 1.61Å | 1.61Å | |
| P | O14 | sing | 1.61Å | 1.61Å | |
| P | O15 | doub | 1.48Å | 1.48Å | |
| P | O13 | sing | 1.61Å | 1.55Å | |
| O14 | HO14 | sing | 0.97Å | 0.95Å | |
| O13 | C47 | sing | 1.43Å | 1.40Å | |
| C47 | C48 | sing | 1.53Å | 1.55Å | |
| C47 | C52 | sing | 1.53Å | 1.55Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C48 | O2 | sing | 1.43Å | 1.52Å | |
| C48 | C49 | sing | 1.53Å | 1.56Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| O2 | C7 | sing | 1.43Å | 1.46Å | |
| C7 | O7 | sing | 1.43Å | 1.45Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| O7 | C6 | sing | 1.43Å | 1.48Å | |
| C6 | C11 | sing | 1.53Å | 1.56Å | |
| C6 | C10 | sing | 1.53Å | 1.56Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | O12 | sing | 1.43Å | 1.43Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| C10 | O11 | sing | 1.43Å | 1.46Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| C9 | O10 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| C8 | O9 | sing | 1.43Å | 1.44Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C49 | O21 | sing | 1.43Å | 1.42Å | |
| C49 | C50 | sing | 1.53Å | 1.54Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| O21 | HO21 | sing | 0.97Å | 0.95Å | |
| C50 | O22 | sing | 1.43Å | 1.42Å | |
| C50 | C51 | sing | 1.53Å | 1.54Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| O22 | HO22 | sing | 0.97Å | 0.95Å | |
| C51 | O23 | sing | 1.43Å | 1.44Å | |
| C51 | C52 | sing | 1.53Å | 1.53Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| O23 | HO23 | sing | 0.97Å | 0.95Å | |
| C52 | O1 | sing | 1.43Å | 1.45Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| O1 | C1 | sing | 1.43Å | 1.47Å | |
| C1 | O | sing | 1.43Å | 1.45Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O | C | sing | 1.43Å | 1.47Å | |
| C | C5 | sing | 1.53Å | 1.53Å | |
| C | C4 | sing | 1.53Å | 1.56Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C5 | O6 | sing | 1.43Å | 1.43Å | |
| C5 | H51A | sing | 1.09Å | 1.10Å | |
| C5 | H52A | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C4 | O5 | sing | 1.43Å | 1.45Å | |
| C4 | C3 | sing | 1.53Å | 1.56Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C3 | O4 | sing | 1.43Å | 1.45Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C2 | O3 | sing | 1.43Å | 1.44Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C45 | C46 | H461 | 109.4° | 109.5° |
| C45 | C46 | H462 | 109.4° | 109.5° |
| C45 | C46 | H463 | 109.5° | 109.5° |
| C46 | C45 | C44 | 114.2° | 109.5° |
| C46 | C45 | H451 | 106.8° | 109.5° |
| C46 | C45 | H452 | 107.9° | 109.5° |
| H461 | C46 | H462 | 109.5° | 109.5° |
| H461 | C46 | H463 | 109.5° | 109.4° |
| H462 | C46 | H463 | 109.4° | 109.5° |
| C44 | C45 | H451 | 106.8° | 109.5° |
| C44 | C45 | H452 | 107.9° | 109.5° |
| C45 | C44 | C43 | 113.3° | 109.5° |
| C45 | C44 | H441 | 107.4° | 109.4° |
| C45 | C44 | H442 | 108.2° | 109.4° |
| H451 | C45 | H452 | 113.3° | 109.4° |
| C43 | C44 | H441 | 107.4° | 109.5° |
| C43 | C44 | H442 | 108.2° | 109.5° |
| C44 | C43 | C42 | 113.4° | 109.5° |
| C44 | C43 | H431 | 107.3° | 109.4° |
| C44 | C43 | H432 | 108.2° | 109.4° |
| H441 | C44 | H442 | 112.5° | 109.5° |
| C42 | C43 | H431 | 107.3° | 109.5° |
| C42 | C43 | H432 | 108.2° | 109.5° |
| C43 | C42 | C41 | 110.0° | 109.5° |
| C43 | C42 | H421 | 109.2° | 109.5° |
| C43 | C42 | H422 | 109.3° | 109.5° |
| H431 | C43 | H432 | 112.6° | 109.5° |
| C41 | C42 | H421 | 109.2° | 109.5° |
| C41 | C42 | H422 | 109.3° | 109.5° |
| C42 | C41 | C40 | 111.9° | 109.5° |
| C42 | C41 | H411 | 108.1° | 109.5° |
| C42 | C41 | H412 | 108.7° | 109.5° |
| H421 | C42 | H422 | 109.8° | 109.4° |
| C40 | C41 | H411 | 108.1° | 109.5° |
| C40 | C41 | H412 | 108.7° | 109.5° |
| C41 | C40 | C39 | 111.3° | 109.5° |
| C41 | C40 | H401 | 108.5° | 109.5° |
| C41 | C40 | H402 | 108.8° | 109.4° |
| H411 | C41 | H412 | 111.4° | 109.4° |
| C39 | C40 | H401 | 108.4° | 109.5° |
| C39 | C40 | H402 | 108.9° | 109.4° |
| C40 | C39 | C38 | 113.0° | 109.5° |
| C40 | C39 | H391 | 107.5° | 109.4° |
| C40 | C39 | H392 | 108.3° | 109.4° |
| H401 | C40 | H402 | 110.9° | 109.5° |
| C38 | C39 | H391 | 107.5° | 109.5° |
| C38 | C39 | H392 | 108.3° | 109.5° |
| C39 | C38 | C37 | 110.5° | 109.5° |
| C39 | C38 | H381 | 108.9° | 109.5° |
| C39 | C38 | H382 | 109.1° | 109.5° |
| H391 | C39 | H392 | 112.3° | 109.4° |
| C37 | C38 | H381 | 108.9° | 109.5° |
| C37 | C38 | H382 | 109.1° | 109.4° |
| C38 | C37 | C36 | 111.4° | 109.5° |
| C38 | C37 | H371 | 108.5° | 109.5° |
| C38 | C37 | H372 | 108.8° | 109.4° |
| H381 | C38 | H382 | 110.3° | 109.5° |
| C36 | C37 | H371 | 108.4° | 109.5° |
| C36 | C37 | H372 | 108.8° | 109.5° |
| C37 | C36 | C35 | 111.7° | 109.5° |
| C37 | C36 | H361 | 108.2° | 109.5° |
| C37 | C36 | H362 | 108.7° | 109.4° |
| H371 | C37 | H372 | 110.9° | 109.5° |
| C35 | C36 | H361 | 108.2° | 109.5° |
| C35 | C36 | H362 | 108.7° | 109.4° |
| C36 | C35 | C34 | 111.7° | 109.5° |
| C36 | C35 | H351 | 108.3° | 109.5° |
| C36 | C35 | H352 | 108.8° | 109.4° |
| H361 | C36 | H362 | 111.3° | 109.5° |
| C34 | C35 | H351 | 108.3° | 109.5° |
| C34 | C35 | H352 | 108.7° | 109.5° |
| C35 | C34 | C33 | 112.1° | 109.5° |
| C35 | C34 | H341 | 108.0° | 109.5° |
| C35 | C34 | H342 | 108.6° | 109.5° |
| H351 | C35 | H352 | 111.2° | 109.4° |
| C33 | C34 | H341 | 108.0° | 109.4° |
| C33 | C34 | H342 | 108.6° | 109.5° |
| C34 | C33 | C32 | 111.3° | 109.5° |
| C34 | C33 | H331 | 108.5° | 109.5° |
| C34 | C33 | H332 | 108.9° | 109.5° |
| H341 | C34 | H342 | 111.6° | 109.4° |
| C32 | C33 | H331 | 108.5° | 109.5° |
| C32 | C33 | H332 | 108.9° | 109.4° |
| C33 | C32 | C31 | 113.3° | 109.5° |
| C33 | C32 | H321 | 107.3° | 109.5° |
| C33 | C32 | H322 | 108.2° | 109.4° |
| H331 | C33 | H332 | 110.9° | 109.4° |
| C31 | C32 | H321 | 107.3° | 109.5° |
| C31 | C32 | H322 | 108.2° | 109.4° |
| C32 | C31 | O20 | 119.7° | 120.0° |
| C32 | C31 | O19 | 121.2° | 120.0° |
| H321 | C32 | H322 | 112.5° | 109.5° |
| O20 | C31 | O19 | 119.1° | 120.0° |
| C31 | O19 | C30 | 111.0° | 120.0° |
| O19 | C30 | C13 | 112.3° | 109.5° |
| O19 | C30 | H301 | 107.9° | 109.5° |
| O19 | C30 | H302 | 108.6° | 109.5° |
| C13 | C30 | H301 | 107.9° | 109.4° |
| C13 | C30 | H302 | 108.5° | 109.4° |
| C30 | C13 | O17 | 114.3° | 109.4° |
| C30 | C13 | C12 | 105.6° | 109.5° |
| C30 | C13 | H13 | 107.7° | 109.5° |
| H301 | C30 | H302 | 111.7° | 109.4° |
| O17 | C13 | C12 | 105.4° | 109.5° |
| O17 | C13 | H13 | 107.8° | 109.4° |
| C13 | O17 | C14 | 115.9° | 120.0° |
| C12 | C13 | H13 | 116.2° | 109.5° |
| C13 | C12 | O16 | 110.1° | 109.5° |
| C13 | C12 | H121 | 109.2° | 109.5° |
| C13 | C12 | H122 | 109.3° | 109.5° |
| O17 | C14 | O18 | 119.8° | 120.0° |
| O17 | C14 | C15 | 120.5° | 120.0° |
| O18 | C14 | C15 | 119.7° | 120.0° |
| C14 | C15 | C16 | 112.6° | 109.4° |
| C14 | C15 | H151 | 107.8° | 109.5° |
| C14 | C15 | H152 | 108.5° | 109.4° |
| C16 | C15 | H151 | 107.8° | 109.5° |
| C16 | C15 | H152 | 108.4° | 109.5° |
| C15 | C16 | C17 | 112.4° | 109.4° |
| C15 | C16 | H161 | 107.9° | 109.5° |
| C15 | C16 | H162 | 108.5° | 109.5° |
| H151 | C15 | H152 | 111.9° | 109.5° |
| C17 | C16 | H161 | 107.9° | 109.5° |
| C17 | C16 | H162 | 108.5° | 109.5° |
| C16 | C17 | C18 | 111.6° | 109.5° |
| C16 | C17 | H171 | 108.3° | 109.5° |
| C16 | C17 | H172 | 108.8° | 109.5° |
| H161 | C16 | H162 | 111.8° | 109.5° |
| C18 | C17 | H171 | 108.3° | 109.5° |
| C18 | C17 | H172 | 108.8° | 109.5° |
| C17 | C18 | C19 | 112.8° | 109.5° |
| C17 | C18 | H181 | 107.6° | 109.4° |
| C17 | C18 | H182 | 108.4° | 109.5° |
| H171 | C17 | H172 | 111.2° | 109.4° |
| C19 | C18 | H181 | 107.6° | 109.5° |
| C19 | C18 | H182 | 108.4° | 109.5° |
| C18 | C19 | C20 | 111.5° | 109.5° |
| C18 | C19 | H191 | 108.3° | 109.4° |
| C18 | C19 | H192 | 108.8° | 109.5° |
| H181 | C18 | H182 | 112.1° | 109.5° |
| C20 | C19 | H191 | 108.3° | 109.5° |
| C20 | C19 | H192 | 108.8° | 109.5° |
| C19 | C20 | C21 | 114.4° | 109.5° |
| C19 | C20 | H201 | 106.8° | 109.5° |
| C19 | C20 | H202 | 107.9° | 109.5° |
| H191 | C19 | H192 | 111.1° | 109.5° |
| C21 | C20 | H201 | 106.8° | 109.4° |
| C21 | C20 | H202 | 107.9° | 109.4° |
| C20 | C21 | C22 | 111.1° | 109.5° |
| C20 | C21 | H211 | 108.6° | 109.4° |
| C20 | C21 | H212 | 108.9° | 109.4° |
| H201 | C20 | H202 | 113.4° | 109.5° |
| C22 | C21 | H211 | 108.6° | 109.5° |
| C22 | C21 | H212 | 109.0° | 109.5° |
| C21 | C22 | C23 | 110.3° | 109.5° |
| C21 | C22 | H221 | 109.0° | 109.5° |
| C21 | C22 | H222 | 109.2° | 109.5° |
| H211 | C21 | H212 | 110.7° | 109.5° |
| C23 | C22 | H221 | 109.0° | 109.5° |
| C23 | C22 | H222 | 109.2° | 109.4° |
| C22 | C23 | C24 | 110.6° | 109.5° |
| C22 | C23 | H231 | 108.9° | 109.5° |
| C22 | C23 | H232 | 109.1° | 109.4° |
| H221 | C22 | H222 | 110.2° | 109.5° |
| C24 | C23 | H231 | 108.9° | 109.5° |
| C24 | C23 | H232 | 109.1° | 109.5° |
| C23 | C24 | C25 | 112.4° | 109.5° |
| C23 | C24 | H241 | 107.9° | 109.5° |
| C23 | C24 | H242 | 108.5° | 109.5° |
| H231 | C23 | H232 | 110.3° | 109.4° |
| C25 | C24 | H241 | 107.9° | 109.5° |
| C25 | C24 | H242 | 108.5° | 109.4° |
| C24 | C25 | C26 | 113.0° | 109.5° |
| C24 | C25 | H251 | 107.5° | 109.5° |
| C24 | C25 | H252 | 108.3° | 109.4° |
| H241 | C24 | H242 | 111.7° | 109.4° |
| C26 | C25 | H251 | 107.5° | 109.5° |
| C26 | C25 | H252 | 108.3° | 109.5° |
| C25 | C26 | C27 | 114.7° | 109.5° |
| C25 | C26 | H261 | 106.5° | 109.5° |
| C25 | C26 | H262 | 107.7° | 109.5° |
| H251 | C25 | H252 | 112.3° | 109.4° |
| C27 | C26 | H261 | 106.5° | 109.5° |
| C27 | C26 | H262 | 107.8° | 109.5° |
| C26 | C27 | C28 | 110.4° | 109.5° |
| C26 | C27 | H271 | 108.9° | 109.5° |
| C26 | C27 | H272 | 109.2° | 109.5° |
| H261 | C26 | H262 | 113.7° | 109.4° |
| C28 | C27 | H271 | 109.0° | 109.4° |
| C28 | C27 | H272 | 109.2° | 109.5° |
| C27 | C28 | C29 | 115.0° | 109.5° |
| C27 | C28 | H281 | 106.4° | 109.5° |
| C27 | C28 | H282 | 107.7° | 109.5° |
| H271 | C27 | H272 | 110.2° | 109.5° |
| C29 | C28 | H281 | 106.4° | 109.4° |
| C29 | C28 | H282 | 107.7° | 109.5° |
| C28 | C29 | H291 | 109.5° | 109.5° |
| C28 | C29 | H292 | 109.5° | 109.5° |
| C28 | C29 | H293 | 109.5° | 109.5° |
| H281 | C28 | H282 | 113.9° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H291 | C29 | H293 | 109.5° | 109.5° |
| H292 | C29 | H293 | 109.4° | 109.4° |
| O16 | C12 | H121 | 109.1° | 109.4° |
| O16 | C12 | H122 | 109.3° | 109.5° |
| C12 | O16 | P | 124.0° | 106.8° |
| H121 | C12 | H122 | 109.9° | 109.5° |
| O16 | P | O14 | 104.4° | 109.4° |
| O16 | P | O15 | 112.5° | 109.4° |
| O16 | P | O13 | 108.3° | 109.5° |
| O14 | P | O15 | 113.8° | 109.5° |
| O14 | P | O13 | 104.6° | 109.5° |
| P | O14 | HO14 | 109.5° | 106.8° |
| O15 | P | O13 | 112.7° | 109.5° |
| P | O13 | C47 | 120.4° | 106.8° |
| O13 | C47 | C48 | 106.1° | 109.5° |
| O13 | C47 | C52 | 107.5° | 109.5° |
| O13 | C47 | H47 | 114.5° | 109.5° |
| C48 | C47 | C52 | 113.8° | 109.5° |
| C48 | C47 | H47 | 108.2° | 109.4° |
| C47 | C48 | O2 | 104.5° | 109.5° |
| C47 | C48 | C49 | 106.4° | 109.4° |
| C47 | C48 | H48 | 123.4° | 109.5° |
| C52 | C47 | H47 | 106.9° | 109.4° |
| C47 | C52 | C51 | 107.3° | 109.5° |
| C47 | C52 | O1 | 113.1° | 109.5° |
| C47 | C52 | H52 | 107.4° | 109.5° |
| O2 | C48 | C49 | 127.3° | 109.5° |
| O2 | C48 | H48 | 99.7° | 109.4° |
| C48 | O2 | C7 | 125.7° | 106.8° |
| C49 | C48 | H48 | 97.6° | 109.5° |
| C48 | C49 | O21 | 112.8° | 109.4° |
| C48 | C49 | C50 | 112.9° | 109.5° |
| C48 | C49 | H49 | 104.8° | 109.5° |
| O2 | C7 | O7 | 108.0° | 109.4° |
| O2 | C7 | C8 | 116.4° | 109.4° |
| O2 | C7 | H7 | 105.6° | 109.4° |
| O7 | C7 | C8 | 109.0° | 109.8° |
| O7 | C7 | H7 | 113.5° | 109.4° |
| C7 | O7 | C6 | 115.6° | 107.6° |
| C8 | C7 | H7 | 104.4° | 109.4° |
| C7 | C8 | C9 | 111.8° | 109.1° |
| C7 | C8 | O9 | 109.6° | 109.6° |
| C7 | C8 | H8 | 108.3° | 109.5° |
| O7 | C6 | C11 | 108.6° | 109.5° |
| O7 | C6 | C10 | 115.4° | 109.8° |
| O7 | C6 | H6 | 105.4° | 109.5° |
| C11 | C6 | C10 | 107.6° | 109.4° |
| C11 | C6 | H6 | 113.5° | 109.4° |
| C6 | C11 | O12 | 110.8° | 109.5° |
| C6 | C11 | H111 | 108.7° | 109.5° |
| C6 | C11 | H112 | 109.0° | 109.5° |
| C10 | C6 | H6 | 106.5° | 109.3° |
| C6 | C10 | O11 | 113.0° | 109.6° |
| C6 | C10 | C9 | 112.4° | 109.0° |
| C6 | C10 | H10 | 104.8° | 109.5° |
| O12 | C11 | H111 | 108.7° | 109.5° |
| O12 | C11 | H112 | 109.0° | 109.4° |
| C11 | O12 | HO12 | 109.5° | 106.8° |
| H111 | C11 | H112 | 110.5° | 109.5° |
| O11 | C10 | C9 | 109.4° | 109.7° |
| O11 | C10 | H10 | 108.1° | 109.5° |
| C10 | O11 | HO11 | 109.5° | 106.8° |
| C9 | C10 | H10 | 108.8° | 109.5° |
| C10 | C9 | O10 | 109.3° | 109.6° |
| C10 | C9 | C8 | 111.8° | 108.7° |
| C10 | C9 | H9 | 107.9° | 109.6° |
| O10 | C9 | C8 | 109.1° | 109.8° |
| O10 | C9 | H9 | 110.7° | 109.6° |
| C9 | O10 | HO10 | 109.5° | 106.8° |
| C8 | C9 | H9 | 108.1° | 109.7° |
| C9 | C8 | O9 | 110.9° | 109.5° |
| C9 | C8 | H8 | 106.9° | 109.5° |
| O9 | C8 | H8 | 109.2° | 109.6° |
| C8 | O9 | HO9 | 109.5° | 106.8° |
| O21 | C49 | C50 | 110.1° | 109.5° |
| O21 | C49 | H49 | 108.0° | 109.5° |
| C49 | O21 | HO21 | 109.5° | 106.8° |
| C50 | C49 | H49 | 107.8° | 109.5° |
| C49 | C50 | O22 | 107.8° | 109.5° |
| C49 | C50 | C51 | 111.1° | 109.5° |
| C49 | C50 | H50 | 109.2° | 109.5° |
| O22 | C50 | C51 | 108.5° | 109.5° |
| O22 | C50 | H50 | 111.7° | 109.5° |
| C50 | O22 | HO22 | 109.5° | 106.8° |
| C51 | C50 | H50 | 108.5° | 109.4° |
| C50 | C51 | O23 | 111.4° | 109.5° |
| C50 | C51 | C52 | 112.0° | 109.5° |
| C50 | C51 | H51 | 106.6° | 109.4° |
| O23 | C51 | C52 | 110.0° | 109.5° |
| O23 | C51 | H51 | 108.6° | 109.5° |
| C51 | O23 | HO23 | 109.5° | 106.9° |
| C52 | C51 | H51 | 108.0° | 109.4° |
| C51 | C52 | O1 | 105.6° | 109.5° |
| C51 | C52 | H52 | 114.6° | 109.4° |
| O1 | C52 | H52 | 108.9° | 109.5° |
| C52 | O1 | C1 | 118.4° | 106.8° |
| O1 | C1 | O | 114.2° | 109.4° |
| O1 | C1 | C2 | 109.0° | 109.4° |
| O1 | C1 | H1 | 105.8° | 109.4° |
| O | C1 | C2 | 107.2° | 109.7° |
| O | C1 | H1 | 107.7° | 109.4° |
| C1 | O | C | 117.2° | 107.6° |
| C2 | C1 | H1 | 113.1° | 109.4° |
| C1 | C2 | C3 | 109.5° | 109.1° |
| C1 | C2 | O3 | 109.5° | 109.7° |
| C1 | C2 | H2 | 110.2° | 109.5° |
| O | C | C5 | 104.7° | 109.4° |
| O | C | C4 | 119.0° | 109.8° |
| O | C | H | 106.2° | 109.4° |
| C5 | C | C4 | 108.8° | 109.4° |
| C5 | C | H | 116.9° | 109.4° |
| C | C5 | O6 | 108.9° | 109.4° |
| C | C5 | H51A | 109.8° | 109.5° |
| C | C5 | H52A | 109.6° | 109.5° |
| C4 | C | H | 101.9° | 109.4° |
| C | C4 | O5 | 109.5° | 109.5° |
| C | C4 | C3 | 114.1° | 109.1° |
| C | C4 | H4 | 106.2° | 109.5° |
| O6 | C5 | H51A | 109.8° | 109.4° |
| O6 | C5 | H52A | 109.7° | 109.5° |
| C5 | O6 | HO6 | 109.5° | 106.8° |
| H51A | C5 | H52A | 109.0° | 109.5° |
| O5 | C4 | C3 | 109.2° | 109.6° |
| O5 | C4 | H4 | 111.3° | 109.5° |
| C4 | O5 | HO5 | 109.5° | 106.8° |
| C3 | C4 | H4 | 106.5° | 109.6° |
| C4 | C3 | O4 | 111.6° | 109.6° |
| C4 | C3 | C2 | 113.1° | 108.6° |
| C4 | C3 | H3 | 106.4° | 109.6° |
| O4 | C3 | C2 | 112.1° | 109.8° |
| O4 | C3 | H3 | 107.5° | 109.6° |
| C3 | O4 | HO4 | 109.5° | 106.8° |
| C2 | C3 | H3 | 105.7° | 109.6° |
| C3 | C2 | O3 | 111.7° | 109.5° |
| C3 | C2 | H2 | 107.9° | 109.5° |
| O3 | C2 | H2 | 107.9° | 109.5° |
| C2 | O3 | HO3 | 109.5° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C45 | C46 | H461 | H462 | 120.0° | 120.1° |
| C45 | C46 | H461 | H463 | 120.0° | 120.0° |
| C45 | C46 | H462 | H463 | 120.0° | 120.0° |
| C46 | C45 | C44 | H451 | 117.9° | 120.0° |
| C46 | C45 | C44 | H452 | 120.0° | 120.0° |
| C46 | C45 | H451 | H452 | 118.7° | 120.0° |
| C46 | C45 | C44 | C43 | 154.0° | 180.0° |
| C46 | C45 | C44 | H441 | 35.6° | 60.0° |
| C46 | C45 | C44 | H442 | 86.0° | 60.0° |
| H461 | C46 | H462 | H463 | 120.0° | 119.9° |
| H461 | C46 | C45 | C44 | 160.3° | 60.0° |
| H461 | C46 | C45 | H451 | 81.8° | 180.0° |
| H461 | C46 | C45 | H452 | 40.3° | 60.1° |
| H462 | C46 | C45 | C44 | 79.6° | 180.0° |
| H462 | C46 | C45 | H451 | 38.3° | 60.0° |
| H462 | C46 | C45 | H452 | 160.4° | 60.0° |
| H463 | C46 | C45 | C44 | 40.3° | 59.9° |
| H463 | C46 | C45 | H451 | 158.2° | 60.1° |
| H463 | C46 | C45 | H452 | 79.7° | 180.0° |
| C44 | C45 | H451 | H452 | 118.7° | 120.0° |
| C45 | C44 | C43 | H441 | 118.3° | 119.9° |
| C45 | C44 | C43 | H442 | 120.0° | 120.0° |
| C45 | C44 | H441 | H442 | 118.9° | 120.0° |
| C45 | C44 | C43 | C42 | 173.6° | 180.0° |
| C45 | C44 | C43 | H431 | 68.1° | 60.0° |
| C45 | C44 | C43 | H432 | 53.6° | 60.0° |
| H451 | C45 | C44 | C43 | 88.1° | 60.0° |
| H451 | C45 | C44 | H441 | 153.5° | 180.0° |
| H451 | C45 | C44 | H442 | 31.9° | 60.0° |
| H452 | C45 | C44 | C43 | 34.0° | 60.0° |
| H452 | C45 | C44 | H441 | 84.4° | 60.0° |
| H452 | C45 | C44 | H442 | 154.0° | 179.9° |
| C43 | C44 | H441 | H442 | 119.0° | 120.0° |
| C44 | C43 | C42 | H431 | 118.3° | 120.0° |
| C44 | C43 | C42 | H432 | 120.0° | 120.0° |
| C44 | C43 | H431 | H432 | 118.9° | 119.9° |
| C44 | C43 | C42 | C41 | 85.1° | 180.0° |
| C44 | C43 | C42 | H421 | 34.7° | 60.0° |
| C44 | C43 | C42 | H422 | 154.9° | 60.0° |
| H441 | C44 | C43 | C42 | 55.3° | 60.0° |
| H441 | C44 | C43 | H431 | 173.6° | 179.9° |
| H441 | C44 | C43 | H432 | 64.7° | 60.0° |
| H442 | C44 | C43 | C42 | 66.4° | 60.0° |
| H442 | C44 | C43 | H431 | 51.9° | 60.0° |
| H442 | C44 | C43 | H432 | 173.6° | 180.0° |
| C42 | C43 | H431 | H432 | 118.9° | 120.1° |
| C43 | C42 | C41 | H421 | 119.8° | 120.0° |
| C43 | C42 | C41 | H422 | 120.0° | 120.0° |
| C43 | C42 | H421 | H422 | 119.9° | 120.0° |
| C43 | C42 | C41 | C40 | 172.9° | 180.0° |
| C43 | C42 | C41 | H411 | 68.1° | 60.0° |
| C43 | C42 | C41 | H412 | 52.9° | 60.0° |
| H431 | C43 | C42 | C41 | 156.6° | 60.0° |
| H431 | C43 | C42 | H421 | 83.6° | 180.0° |
| H431 | C43 | C42 | H422 | 36.6° | 60.0° |
| H432 | C43 | C42 | C41 | 34.8° | 60.0° |
| H432 | C43 | C42 | H421 | 154.6° | 60.0° |
| H432 | C43 | C42 | H422 | 85.2° | 179.9° |
| C41 | C42 | H421 | H422 | 119.8° | 120.0° |
| C42 | C41 | C40 | H411 | 118.9° | 120.1° |
| C42 | C41 | C40 | H412 | 120.0° | 120.0° |
| C42 | C41 | H411 | H412 | 119.3° | 120.0° |
| C42 | C41 | C40 | C39 | 179.7° | 180.0° |
| C42 | C41 | C40 | H401 | 61.0° | 60.0° |
| C42 | C41 | C40 | H402 | 59.7° | 60.0° |
| H421 | C42 | C41 | C40 | 53.1° | 60.0° |
| H421 | C42 | C41 | H411 | 172.1° | 180.0° |
| H421 | C42 | C41 | H412 | 66.9° | 60.1° |
| H422 | C42 | C41 | C40 | 67.1° | 60.0° |
| H422 | C42 | C41 | H411 | 51.9° | 60.1° |
| H422 | C42 | C41 | H412 | 172.9° | 180.0° |
| C40 | C41 | H411 | H412 | 119.4° | 119.9° |
| C41 | C40 | C39 | H401 | 119.2° | 120.0° |
| C41 | C40 | C39 | H402 | 120.0° | 120.0° |
| C41 | C40 | H401 | H402 | 119.5° | 119.9° |
| C41 | C40 | C39 | C38 | 70.1° | 180.0° |
| C41 | C40 | C39 | H391 | 48.4° | 59.9° |
| C41 | C40 | C39 | H392 | 169.9° | 60.0° |
| H411 | C41 | C40 | C39 | 60.8° | 59.9° |
| H411 | C41 | C40 | H401 | 180.0° | 180.0° |
| H411 | C41 | C40 | H402 | 59.2° | 60.1° |
| H412 | C41 | C40 | C39 | 60.3° | 60.0° |
| H412 | C41 | C40 | H401 | 59.0° | 60.1° |
| H412 | C41 | C40 | H402 | 179.7° | 180.0° |
| C39 | C40 | H401 | H402 | 119.5° | 120.0° |
| C40 | C39 | C38 | H391 | 118.4° | 120.0° |
| C40 | C39 | C38 | H392 | 120.0° | 120.0° |
| C40 | C39 | H391 | H392 | 119.0° | 119.9° |
| C40 | C39 | C38 | C37 | 148.0° | 180.0° |
| C40 | C39 | C38 | H381 | 92.4° | 60.0° |
| C40 | C39 | C38 | H382 | 28.0° | 60.1° |
| H401 | C40 | C39 | C38 | 170.7° | 60.0° |
| H401 | C40 | C39 | H391 | 70.9° | 180.0° |
| H401 | C40 | C39 | H392 | 50.7° | 60.1° |
| H402 | C40 | C39 | C38 | 49.9° | 60.0° |
| H402 | C40 | C39 | H391 | 168.4° | 60.0° |
| H402 | C40 | C39 | H392 | 70.1° | 180.0° |
| C38 | C39 | H391 | H392 | 119.0° | 120.1° |
| C39 | C38 | C37 | H381 | 119.6° | 120.0° |
| C39 | C38 | C37 | H382 | 120.0° | 120.0° |
| C39 | C38 | H381 | H382 | 119.7° | 120.0° |
| C39 | C38 | C37 | C36 | 177.3° | 180.0° |
| C39 | C38 | C37 | H371 | 58.1° | 60.0° |
| C39 | C38 | C37 | H372 | 62.7° | 60.0° |
| H391 | C39 | C38 | C37 | 29.6° | 60.0° |
| H391 | C39 | C38 | H381 | 149.1° | 180.0° |
| H391 | C39 | C38 | H382 | 90.4° | 60.0° |
| H392 | C39 | C38 | C37 | 92.0° | 60.0° |
| H392 | C39 | C38 | H381 | 27.6° | 60.0° |
| H392 | C39 | C38 | H382 | 148.0° | 180.0° |
| C37 | C38 | H381 | H382 | 119.7° | 120.0° |
| C38 | C37 | C36 | H371 | 119.2° | 120.0° |
| C38 | C37 | C36 | H372 | 120.0° | 120.0° |
| C38 | C37 | H371 | H372 | 119.5° | 120.0° |
| C38 | C37 | C36 | C35 | 155.2° | 180.0° |
| C38 | C37 | C36 | H361 | 36.1° | 60.0° |
| C38 | C37 | C36 | H362 | 84.9° | 60.0° |
| H381 | C38 | C37 | C36 | 63.1° | 60.0° |
| H381 | C38 | C37 | H371 | 177.7° | 180.0° |
| H381 | C38 | C37 | H372 | 56.9° | 60.0° |
| H382 | C38 | C37 | C36 | 57.3° | 60.0° |
| H382 | C38 | C37 | H371 | 61.9° | 60.0° |
| H382 | C38 | C37 | H372 | 177.3° | 180.0° |
| C36 | C37 | H371 | H372 | 119.5° | 120.0° |
| C37 | C36 | C35 | H361 | 119.1° | 120.1° |
| C37 | C36 | C35 | H362 | 120.0° | 120.0° |
| C37 | C36 | H361 | H362 | 119.4° | 120.0° |
| C37 | C36 | C35 | C34 | 165.2° | 180.0° |
| C37 | C36 | C35 | H351 | 75.7° | 59.9° |
| C37 | C36 | C35 | H352 | 45.2° | 60.0° |
| H371 | C37 | C36 | C35 | 85.6° | 60.0° |
| H371 | C37 | C36 | H361 | 155.4° | NaN° |
| H371 | C37 | C36 | H362 | 34.4° | 60.0° |
| H372 | C37 | C36 | C35 | 35.2° | 60.1° |
| H372 | C37 | C36 | H361 | 83.9° | 60.0° |
| H372 | C37 | C36 | H362 | 155.2° | 180.0° |
| C35 | C36 | H361 | H362 | 119.4° | 120.0° |
| C36 | C35 | C34 | H351 | 119.1° | 120.1° |
| C36 | C35 | C34 | H352 | 120.0° | 120.0° |
| C36 | C35 | H351 | H352 | 119.4° | 119.9° |
| C36 | C35 | C34 | C33 | 78.9° | 180.0° |
| C36 | C35 | C34 | H341 | 162.2° | 60.0° |
| C36 | C35 | C34 | H342 | 41.0° | 60.0° |
| H361 | C36 | C35 | C34 | 46.1° | 60.0° |
| H361 | C36 | C35 | H351 | 165.2° | 180.0° |
| H361 | C36 | C35 | H352 | 73.9° | 60.1° |
| H362 | C36 | C35 | C34 | 74.8° | 60.0° |
| H362 | C36 | C35 | H351 | 44.2° | 60.1° |
| H362 | C36 | C35 | H352 | 165.2° | 180.0° |
| C34 | C35 | H351 | H352 | 119.4° | 120.0° |
| C35 | C34 | C33 | H341 | 118.9° | 120.0° |
| C35 | C34 | C33 | H342 | 120.0° | 120.1° |
| C35 | C34 | H341 | H342 | 119.3° | 120.0° |
| C35 | C34 | C33 | C32 | 123.2° | 180.0° |
| C35 | C34 | C33 | H331 | 4.0° | 60.0° |
| C35 | C34 | C33 | H332 | 116.8° | 60.0° |
| H351 | C35 | C34 | C33 | 40.1° | 60.0° |
| H351 | C35 | C34 | H341 | 78.7° | 180.0° |
| H351 | C35 | C34 | H342 | 160.1° | 60.1° |
| H352 | C35 | C34 | C33 | 161.0° | 60.0° |
| H352 | C35 | C34 | H341 | 42.2° | 60.0° |
| H352 | C35 | C34 | H342 | 79.0° | 180.0° |
| C33 | C34 | H341 | H342 | 119.3° | 120.0° |
| C34 | C33 | C32 | H331 | 119.3° | 120.0° |
| C34 | C33 | C32 | H332 | 120.0° | 120.0° |
| C34 | C33 | H331 | H332 | 119.5° | 120.0° |
| C34 | C33 | C32 | C31 | 142.4° | 180.0° |
| C34 | C33 | C32 | H321 | 24.1° | 60.0° |
| C34 | C33 | C32 | H322 | 97.6° | 60.0° |
| H341 | C34 | C33 | C32 | 117.9° | 60.0° |
| H341 | C34 | C33 | H331 | 122.9° | 180.0° |
| H341 | C34 | C33 | H332 | 2.1° | 60.0° |
| H342 | C34 | C33 | C32 | 3.2° | 60.0° |
| H342 | C34 | C33 | H331 | 116.0° | 60.1° |
| H342 | C34 | C33 | H332 | 123.2° | 180.0° |
| C32 | C33 | H331 | H332 | 119.5° | 119.9° |
| C33 | C32 | C31 | H321 | 118.3° | 120.0° |
| C33 | C32 | C31 | H322 | 120.0° | 119.9° |
| C33 | C32 | H321 | H322 | 118.9° | 120.0° |
| C33 | C32 | C31 | O20 | 136.7° | 0.1° |
| C33 | C32 | C31 | O19 | 43.5° | 180.0° |
| H331 | C33 | C32 | C31 | 98.3° | 59.9° |
| H331 | C33 | C32 | H321 | 143.4° | 180.0° |
| H331 | C33 | C32 | H322 | 21.7° | 60.0° |
| H332 | C33 | C32 | C31 | 22.4° | 60.0° |
| H332 | C33 | C32 | H321 | 95.9° | 60.0° |
| H332 | C33 | C32 | H322 | 142.4° | 179.9° |
| C31 | C32 | H321 | H322 | 118.9° | 120.0° |
| C32 | C31 | O20 | O19 | 179.8° | 179.9° |
| C32 | C31 | O19 | C30 | 179.4° | 180.0° |
| H321 | C32 | C31 | O20 | 105.0° | 120.0° |
| H321 | C32 | C31 | O19 | 74.8° | 59.9° |
| H322 | C32 | C31 | O20 | 16.7° | 120.0° |
| H322 | C32 | C31 | O19 | 163.5° | 60.1° |
| O20 | C31 | O19 | C30 | 0.8° | 0.0° |
| C31 | O19 | C30 | C13 | 153.3° | 180.0° |
| C31 | O19 | C30 | H301 | 34.5° | 60.0° |
| C31 | O19 | C30 | H302 | 86.7° | 60.0° |
| O19 | C30 | C13 | H301 | 118.8° | 120.0° |
| O19 | C30 | C13 | H302 | 120.0° | 120.0° |
| O19 | C30 | H301 | H302 | 119.3° | 120.0° |
| O19 | C30 | C13 | O17 | 78.6° | 65.0° |
| O19 | C30 | C13 | C12 | 166.0° | 55.0° |
| O19 | C30 | C13 | H13 | 41.2° | 175.0° |
| C13 | C30 | H301 | H302 | 119.2° | 119.9° |
| C30 | C13 | O17 | C12 | 115.5° | 120.0° |
| C30 | C13 | O17 | H13 | 119.7° | 120.0° |
| C30 | C13 | C12 | H13 | 119.3° | 120.1° |
| C30 | C13 | O17 | C14 | 109.1° | 150.1° |
| C30 | C13 | C12 | O16 | 168.5° | 55.0° |
| C30 | C13 | C12 | H121 | 71.7° | 65.0° |
| C30 | C13 | C12 | H122 | 48.5° | 174.9° |
| H301 | C30 | C13 | O17 | 162.6° | 175.0° |
| H301 | C30 | C13 | C12 | 47.2° | 65.0° |
| H301 | C30 | C13 | H13 | 77.6° | 55.0° |
| H302 | C30 | C13 | O17 | 41.4° | 55.0° |
| H302 | C30 | C13 | C12 | 74.0° | 175.0° |
| H302 | C30 | C13 | H13 | 161.2° | 64.9° |
| O17 | C13 | C12 | H13 | 119.4° | 120.0° |
| C13 | O17 | C14 | O18 | 24.1° | 0.1° |
| C13 | O17 | C14 | C15 | 156.3° | 180.0° |
| O17 | C13 | C12 | O16 | 47.1° | 65.0° |
| O17 | C13 | C12 | H121 | 166.9° | 175.0° |
| O17 | C13 | C12 | H122 | 72.9° | 55.0° |
| C12 | C13 | O17 | C14 | 135.4° | 90.0° |
| C13 | C12 | O16 | H121 | 119.8° | 120.0° |
| C13 | C12 | O16 | H122 | 120.0° | 120.0° |
| C13 | C12 | H121 | H122 | 119.8° | 120.0° |
| C13 | C12 | O16 | P | 141.2° | 180.0° |
| H13 | C13 | O17 | C14 | 10.6° | 30.1° |
| H13 | C13 | C12 | O16 | 72.2° | 175.0° |
| H13 | C13 | C12 | H121 | 47.5° | 55.1° |
| H13 | C13 | C12 | H122 | 167.8° | 65.0° |
| O17 | C14 | O18 | C15 | 179.7° | 179.9° |
| O17 | C14 | C15 | C16 | 175.0° | 180.0° |
| O17 | C14 | C15 | H151 | 56.4° | 59.9° |
| O17 | C14 | C15 | H152 | 65.0° | 60.0° |
| O18 | C14 | C15 | C16 | 4.6° | 0.1° |
| O18 | C14 | C15 | H151 | 123.3° | 120.0° |
| O18 | C14 | C15 | H152 | 115.4° | 120.0° |
| C14 | C15 | C16 | H151 | 118.7° | 120.0° |
| C14 | C15 | C16 | H152 | 120.0° | 119.9° |
| C14 | C15 | H151 | H152 | 119.2° | 120.0° |
| C14 | C15 | C16 | C17 | 92.0° | 180.0° |
| C14 | C15 | C16 | H161 | 26.8° | 60.0° |
| C14 | C15 | C16 | H162 | 148.0° | 60.0° |
| C16 | C15 | H151 | H152 | 119.1° | 120.1° |
| C15 | C16 | C17 | H161 | 118.8° | 120.0° |
| C15 | C16 | C17 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H162 | 119.2° | 120.0° |
| C15 | C16 | C17 | C18 | 147.3° | 180.0° |
| C15 | C16 | C17 | H171 | 28.2° | 60.0° |
| C15 | C16 | C17 | H172 | 92.7° | 60.0° |
| H151 | C15 | C16 | C17 | 149.3° | 60.0° |
| H151 | C15 | C16 | H161 | 91.9° | 180.0° |
| H151 | C15 | C16 | H162 | 29.4° | 60.0° |
| H152 | C15 | C16 | C17 | 28.0° | 60.0° |
| H152 | C15 | C16 | H161 | 146.8° | 60.0° |
| H152 | C15 | C16 | H162 | 92.0° | 180.0° |
| C17 | C16 | H161 | H162 | 119.2° | 120.1° |
| C16 | C17 | C18 | H171 | 119.1° | 120.0° |
| C16 | C17 | C18 | H172 | 120.0° | 120.0° |
| C16 | C17 | H171 | H172 | 119.4° | 120.0° |
| C16 | C17 | C18 | C19 | 149.9° | 180.0° |
| C16 | C17 | C18 | H181 | 31.3° | 60.0° |
| C16 | C17 | C18 | H182 | 90.1° | 60.0° |
| H161 | C16 | C17 | C18 | 93.9° | 60.0° |
| H161 | C16 | C17 | H171 | 147.0° | 180.0° |
| H161 | C16 | C17 | H172 | 26.0° | 60.0° |
| H162 | C16 | C17 | C18 | 27.3° | 60.0° |
| H162 | C16 | C17 | H171 | 91.8° | 60.0° |
| H162 | C16 | C17 | H172 | 147.3° | 180.0° |
| C18 | C17 | H171 | H172 | 119.4° | 120.0° |
| C17 | C18 | C19 | H181 | 118.6° | 120.0° |
| C17 | C18 | C19 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H182 | 119.1° | 120.0° |
| C17 | C18 | C19 | C20 | 147.2° | 180.0° |
| C17 | C18 | C19 | H191 | 28.1° | 60.0° |
| C17 | C18 | C19 | H192 | 92.8° | 60.0° |
| H171 | C17 | C18 | C19 | 91.0° | 60.0° |
| H171 | C17 | C18 | H181 | 150.4° | 180.0° |
| H171 | C17 | C18 | H182 | 29.0° | 60.0° |
| H172 | C17 | C18 | C19 | 29.9° | 60.0° |
| H172 | C17 | C18 | H181 | 88.6° | 60.0° |
| H172 | C17 | C18 | H182 | 149.9° | 180.0° |
| C19 | C18 | H181 | H182 | 119.1° | 120.1° |
| C18 | C19 | C20 | H191 | 119.1° | 119.9° |
| C18 | C19 | C20 | H192 | 120.0° | 120.0° |
| C18 | C19 | H191 | H192 | 119.4° | 120.0° |
| C18 | C19 | C20 | C21 | 110.4° | 180.0° |
| C18 | C19 | C20 | H201 | 7.4° | 60.0° |
| C18 | C19 | C20 | H202 | 129.6° | 60.0° |
| H181 | C18 | C19 | C20 | 94.3° | 60.0° |
| H181 | C18 | C19 | H191 | 146.6° | 180.0° |
| H181 | C18 | C19 | H192 | 25.7° | 60.0° |
| H182 | C18 | C19 | C20 | 27.2° | 60.0° |
| H182 | C18 | C19 | H191 | 91.9° | 60.0° |
| H182 | C18 | C19 | H192 | 147.2° | 180.0° |
| C20 | C19 | H191 | H192 | 119.4° | 120.1° |
| C19 | C20 | C21 | H201 | 117.8° | 120.0° |
| C19 | C20 | C21 | H202 | 120.0° | 120.0° |
| C19 | C20 | H201 | H202 | 118.6° | 120.1° |
| C19 | C20 | C21 | C22 | 125.3° | 180.0° |
| C19 | C20 | C21 | H211 | 115.4° | 60.0° |
| C19 | C20 | C21 | H212 | 5.3° | 60.0° |
| H191 | C19 | C20 | C21 | 130.5° | 60.1° |
| H191 | C19 | C20 | H201 | 111.7° | 180.0° |
| H191 | C19 | C20 | H202 | 10.5° | 59.9° |
| H192 | C19 | C20 | C21 | 9.6° | 60.0° |
| H192 | C19 | C20 | H201 | 127.4° | 60.0° |
| H192 | C19 | C20 | H202 | 110.4° | 180.0° |
| C21 | C20 | H201 | H202 | 118.7° | 119.9° |
| C20 | C21 | C22 | H211 | 119.3° | 119.9° |
| C20 | C21 | C22 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H212 | 119.5° | 119.9° |
| C20 | C21 | C22 | C23 | 127.9° | 180.0° |
| C20 | C21 | C22 | H221 | 112.5° | 60.0° |
| C20 | C21 | C22 | H222 | 7.9° | 60.0° |
| H201 | C20 | C21 | C22 | 7.5° | 60.0° |
| H201 | C20 | C21 | H211 | 126.8° | 180.0° |
| H201 | C20 | C21 | H212 | 112.6° | 60.1° |
| H202 | C20 | C21 | C22 | 114.7° | 60.0° |
| H202 | C20 | C21 | H211 | 4.6° | 60.0° |
| H202 | C20 | C21 | H212 | 125.3° | 180.0° |
| C22 | C21 | H211 | H212 | 119.6° | 120.1° |
| C21 | C22 | C23 | H221 | 119.6° | 120.0° |
| C21 | C22 | C23 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H222 | 119.8° | 120.1° |
| C21 | C22 | C23 | C24 | 140.9° | 180.0° |
| C21 | C22 | C23 | H231 | 99.6° | 60.0° |
| C21 | C22 | C23 | H232 | 20.8° | 60.0° |
| H211 | C21 | C22 | C23 | 8.5° | 60.0° |
| H211 | C21 | C22 | H221 | 128.2° | 180.0° |
| H211 | C21 | C22 | H222 | 111.5° | 59.9° |
| H212 | C21 | C22 | C23 | 112.1° | 60.0° |
| H212 | C21 | C22 | H221 | 7.5° | 60.0° |
| H212 | C21 | C22 | H222 | 127.9° | NaN° |
| C23 | C22 | H221 | H222 | 119.8° | 119.9° |
| C22 | C23 | C24 | H231 | 119.6° | 120.0° |
| C22 | C23 | C24 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H232 | 119.7° | 119.9° |
| C22 | C23 | C24 | C25 | 104.3° | NaN° |
| C22 | C23 | C24 | H241 | 137.0° | 60.0° |
| C22 | C23 | C24 | H242 | 15.7° | 60.0° |
| H221 | C22 | C23 | C24 | 21.3° | 59.9° |
| H221 | C22 | C23 | H231 | 140.8° | 180.0° |
| H221 | C22 | C23 | H232 | 98.8° | 60.1° |
| H222 | C22 | C23 | C24 | 99.1° | 60.0° |
| H222 | C22 | C23 | H231 | 20.4° | 60.1° |
| H222 | C22 | C23 | H232 | 140.9° | 180.0° |
| C24 | C23 | H231 | H232 | 119.7° | 120.0° |
| C23 | C24 | C25 | H241 | 118.8° | 120.1° |
| C23 | C24 | C25 | H242 | 120.0° | 120.0° |
| C23 | C24 | H241 | H242 | 119.2° | 120.0° |
| C23 | C24 | C25 | C26 | 170.4° | 180.0° |
| C23 | C24 | C25 | H251 | 51.9° | 59.9° |
| C23 | C24 | C25 | H252 | 69.6° | 60.0° |
| H231 | C23 | C24 | C25 | 15.3° | 60.0° |
| H231 | C23 | C24 | H241 | 103.5° | 180.0° |
| H231 | C23 | C24 | H242 | 135.3° | 60.0° |
| H232 | C23 | C24 | C25 | 135.7° | 60.0° |
| H232 | C23 | C24 | H241 | 16.9° | 60.0° |
| H232 | C23 | C24 | H242 | 104.3° | 180.0° |
| C25 | C24 | H241 | H242 | 119.2° | 119.9° |
| C24 | C25 | C26 | H251 | 118.5° | 120.0° |
| C24 | C25 | C26 | H252 | 120.0° | 120.0° |
| C24 | C25 | H251 | H252 | 119.0° | 119.9° |
| C24 | C25 | C26 | C27 | 81.3° | 180.0° |
| C24 | C25 | C26 | H261 | 161.1° | 60.0° |
| C24 | C25 | C26 | H262 | 38.7° | 60.0° |
| H241 | C24 | C25 | C26 | 70.8° | 59.9° |
| H241 | C24 | C25 | H251 | 170.7° | 180.0° |
| H241 | C24 | C25 | H252 | 49.2° | 60.1° |
| H242 | C24 | C25 | C26 | 50.4° | 60.0° |
| H242 | C24 | C25 | H251 | 68.1° | 60.1° |
| H242 | C24 | C25 | H252 | 170.4° | 180.0° |
| C26 | C25 | H251 | H252 | 119.0° | 120.0° |
| C25 | C26 | C27 | H261 | 117.6° | 120.0° |
| C25 | C26 | C27 | H262 | 120.0° | 120.0° |
| C25 | C26 | H261 | H262 | 118.5° | 120.0° |
| C25 | C26 | C27 | C28 | 129.1° | 180.0° |
| C25 | C26 | C27 | H271 | 111.2° | 60.0° |
| C25 | C26 | C27 | H272 | 9.1° | 60.0° |
| H251 | C25 | C26 | C27 | 37.2° | 60.0° |
| H251 | C25 | C26 | H261 | 80.4° | 180.0° |
| H251 | C25 | C26 | H262 | 157.2° | 60.0° |
| H252 | C25 | C26 | C27 | 158.7° | 60.0° |
| H252 | C25 | C26 | H261 | 41.1° | 60.0° |
| H252 | C25 | C26 | H262 | 81.3° | 180.0° |
| C27 | C26 | H261 | H262 | 118.6° | 120.0° |
| C26 | C27 | C28 | H271 | 119.6° | 120.0° |
| C26 | C27 | C28 | H272 | 120.0° | 120.0° |
| C26 | C27 | H271 | H272 | 119.7° | 120.0° |
| C26 | C27 | C28 | C29 | 141.7° | 180.0° |
| C26 | C27 | C28 | H281 | 100.8° | 60.0° |
| C26 | C27 | C28 | H282 | 21.7° | 60.0° |
| H261 | C26 | C27 | C28 | 11.5° | 60.0° |
| H261 | C26 | C27 | H271 | 131.2° | 180.0° |
| H261 | C26 | C27 | H272 | 108.5° | 60.0° |
| H262 | C26 | C27 | C28 | 110.9° | 60.0° |
| H262 | C26 | C27 | H271 | 8.8° | 60.0° |
| H262 | C26 | C27 | H272 | 129.1° | 180.0° |
| C28 | C27 | H271 | H272 | 119.7° | 120.0° |
| C27 | C28 | C29 | H281 | 117.5° | 120.0° |
| C27 | C28 | C29 | H282 | 120.0° | 120.0° |
| C27 | C28 | H281 | H282 | 118.5° | 120.1° |
| C27 | C28 | C29 | H291 | 28.7° | 60.0° |
| C27 | C28 | C29 | H292 | 91.3° | 180.0° |
| C27 | C28 | C29 | H293 | 148.7° | 60.0° |
| H271 | C27 | C28 | C29 | 22.1° | 60.0° |
| H271 | C27 | C28 | H281 | 139.6° | 179.9° |
| H271 | C27 | C28 | H282 | 97.9° | 60.0° |
| H272 | C27 | C28 | C29 | 98.3° | 60.0° |
| H272 | C27 | C28 | H281 | 19.2° | 60.0° |
| H272 | C27 | C28 | H282 | 141.7° | 180.0° |
| C29 | C28 | H281 | H282 | 118.5° | 120.0° |
| C28 | C29 | H291 | H292 | 120.0° | 120.0° |
| C28 | C29 | H291 | H293 | 120.0° | 120.0° |
| C28 | C29 | H292 | H293 | 120.0° | 120.0° |
| H281 | C28 | C29 | H291 | 146.2° | 60.0° |
| H281 | C28 | C29 | H292 | 26.2° | 60.0° |
| H281 | C28 | C29 | H293 | 93.8° | 180.0° |
| H282 | C28 | C29 | H291 | 91.3° | 180.0° |
| H282 | C28 | C29 | H292 | 148.7° | 60.0° |
| H282 | C28 | C29 | H293 | 28.7° | 60.0° |
| H291 | C29 | H292 | H293 | 120.0° | 120.0° |
| O16 | C12 | H121 | H122 | 119.8° | 120.0° |
| C12 | O16 | P | O14 | 24.2° | 65.0° |
| C12 | O16 | P | O15 | 148.0° | 55.0° |
| C12 | O16 | P | O13 | 86.8° | 175.0° |
| H121 | C12 | O16 | P | 99.0° | 60.0° |
| H122 | C12 | O16 | P | 21.2° | 60.0° |
| O16 | P | O14 | O15 | 123.0° | 119.9° |
| O16 | P | O14 | O13 | 113.7° | 120.0° |
| O16 | P | O15 | O13 | 122.8° | 120.0° |
| O16 | P | O14 | HO14 | 90.0° | 60.1° |
| O16 | P | O13 | C47 | 58.8° | 175.0° |
| O14 | P | O15 | O13 | 118.8° | 120.1° |
| O14 | P | O13 | C47 | 169.7° | 65.1° |
| O15 | P | O14 | HO14 | 33.0° | 180.0° |
| O15 | P | O13 | C47 | 66.3° | 55.0° |
| O13 | P | O14 | HO14 | 156.3° | 59.9° |
| P | O13 | C47 | C48 | 97.7° | 120.0° |
| P | O13 | C47 | C52 | 140.3° | 120.0° |
| P | O13 | C47 | H47 | 21.7° | 0.0° |
| O13 | C47 | C48 | C52 | 117.9° | 120.0° |
| O13 | C47 | C48 | H47 | 123.3° | 120.0° |
| O13 | C47 | C52 | H47 | 123.4° | 120.1° |
| O13 | C47 | C48 | O2 | 40.5° | 180.0° |
| O13 | C47 | C48 | C49 | 177.2° | 60.0° |
| O13 | C47 | C48 | H48 | 71.8° | 60.0° |
| O13 | C47 | C52 | C51 | 178.3° | 60.0° |
| O13 | C47 | C52 | O1 | 65.6° | 60.0° |
| O13 | C47 | C52 | H52 | 54.6° | 179.9° |
| C48 | C47 | C52 | H47 | 119.5° | 119.9° |
| C47 | C48 | O2 | C49 | 124.2° | 120.0° |
| C47 | C48 | O2 | H48 | 128.4° | 120.0° |
| C47 | C48 | C49 | H48 | 128.2° | 120.0° |
| C47 | C48 | O2 | C7 | 158.8° | 109.5° |
| C47 | C48 | C49 | O21 | 179.4° | 180.0° |
| C47 | C48 | C49 | C50 | 55.0° | 60.0° |
| C47 | C48 | C49 | H49 | 62.2° | 60.0° |
| C48 | C47 | C52 | C51 | 61.1° | 60.0° |
| C48 | C47 | C52 | O1 | 177.2° | 180.0° |
| C48 | C47 | C52 | H52 | 62.6° | 59.9° |
| C52 | C47 | C48 | O2 | 77.4° | 60.0° |
| C52 | C47 | C48 | C49 | 59.3° | 60.0° |
| C52 | C47 | C48 | H48 | 170.3° | 180.0° |
| C47 | C52 | C51 | C50 | 57.1° | 60.0° |
| C47 | C52 | C51 | O23 | 178.3° | 180.0° |
| C47 | C52 | C51 | O1 | 120.9° | 120.1° |
| C47 | C52 | C51 | H52 | 119.2° | 120.0° |
| C47 | C52 | C51 | H51 | 59.9° | 60.0° |
| C47 | C52 | O1 | H52 | 119.4° | 120.0° |
| C47 | C52 | O1 | C1 | 102.7° | 97.1° |
| H47 | C47 | C48 | O2 | 163.9° | 60.0° |
| H47 | C47 | C48 | C49 | 59.4° | 179.9° |
| H47 | C47 | C48 | H48 | 51.6° | 60.0° |
| H47 | C47 | C52 | C51 | 58.3° | 179.9° |
| H47 | C47 | C52 | O1 | 57.7° | 60.0° |
| H47 | C47 | C52 | H52 | 178.0° | 60.0° |
| O2 | C48 | C49 | H48 | 108.4° | 120.0° |
| C48 | O2 | C7 | O7 | 175.9° | 102.5° |
| C48 | O2 | C7 | C8 | 52.9° | 137.2° |
| C48 | O2 | C7 | H7 | 62.4° | 17.4° |
| O2 | C48 | C49 | O21 | 57.2° | 60.0° |
| O2 | C48 | C49 | C50 | 68.5° | 60.0° |
| O2 | C48 | C49 | H49 | 174.4° | 180.0° |
| C49 | C48 | O2 | C7 | 34.6° | 130.5° |
| C48 | C49 | O21 | C50 | 127.2° | 120.0° |
| C48 | C49 | O21 | H49 | 115.3° | 120.0° |
| C48 | C49 | C50 | H49 | 115.3° | 120.0° |
| C48 | C49 | O21 | HO21 | 105.6° | 173.6° |
| C48 | C49 | C50 | O22 | 173.6° | 180.0° |
| C48 | C49 | C50 | C51 | 54.9° | 60.0° |
| C48 | C49 | C50 | H50 | 64.8° | 60.0° |
| H48 | C48 | O2 | C7 | 72.8° | 10.5° |
| H48 | C48 | C49 | O21 | 51.2° | 60.0° |
| H48 | C48 | C49 | C50 | 176.9° | 180.0° |
| H48 | C48 | C49 | H49 | 66.0° | 60.0° |
| O2 | C7 | O7 | C8 | 127.3° | 120.1° |
| O2 | C7 | O7 | H7 | 116.7° | 119.9° |
| O2 | C7 | C8 | H7 | 116.0° | 119.8° |
| O2 | C7 | O7 | C6 | 71.5° | 52.5° |
| O2 | C7 | C8 | C9 | 62.4° | 58.8° |
| O2 | C7 | C8 | O9 | 174.2° | 178.7° |
| O2 | C7 | C8 | H8 | 55.1° | 61.0° |
| O7 | C7 | C8 | H7 | 121.6° | 120.1° |
| C7 | O7 | C6 | C11 | 168.0° | 172.3° |
| C7 | O7 | C6 | C10 | 47.1° | 67.6° |
| C7 | O7 | C6 | H6 | 70.0° | 52.4° |
| O7 | C7 | C8 | C9 | 60.0° | 61.3° |
| O7 | C7 | C8 | O9 | 63.4° | 58.6° |
| O7 | C7 | C8 | H8 | 177.5° | 178.9° |
| C8 | C7 | O7 | C6 | 55.9° | 67.6° |
| C7 | C8 | C9 | C10 | 55.1° | 53.7° |
| C7 | C8 | C9 | O10 | 176.0° | 173.6° |
| C7 | C8 | C9 | O9 | 122.7° | 120.0° |
| C7 | C8 | C9 | H8 | 118.3° | 119.8° |
| C7 | C8 | C9 | H9 | 63.5° | 66.0° |
| C7 | C8 | O9 | H8 | 118.5° | 120.2° |
| C7 | C8 | O9 | HO9 | 8.1° | 60.4° |
| H7 | C7 | O7 | C6 | 171.8° | 172.4° |
| H7 | C7 | C8 | C9 | 178.4° | 178.7° |
| H7 | C7 | C8 | O9 | 58.2° | 61.4° |
| H7 | C7 | C8 | H8 | 60.9° | 58.8° |
| O7 | C6 | C11 | C10 | 125.6° | 120.3° |
| O7 | C6 | C11 | H6 | 116.9° | 119.9° |
| O7 | C6 | C10 | H6 | 116.5° | 120.1° |
| O7 | C6 | C11 | O12 | 54.7° | 64.3° |
| O7 | C6 | C11 | H111 | 64.7° | 175.6° |
| O7 | C6 | C11 | H112 | 174.7° | 55.6° |
| O7 | C6 | C10 | O11 | 164.0° | 178.8° |
| O7 | C6 | C10 | C9 | 39.5° | 61.2° |
| O7 | C6 | C10 | H10 | 78.5° | 58.6° |
| C11 | C6 | C10 | H6 | 122.0° | 119.8° |
| C6 | C11 | O12 | H111 | 119.4° | 120.1° |
| C6 | C11 | O12 | H112 | 120.0° | 119.9° |
| C6 | C11 | H111 | H112 | 119.6° | 120.0° |
| C6 | C11 | O12 | HO12 | 68.8° | 180.0° |
| C11 | C6 | C10 | O11 | 74.6° | 58.6° |
| C11 | C6 | C10 | C9 | 161.0° | 178.7° |
| C11 | C6 | C10 | H10 | 43.0° | 61.5° |
| C10 | C6 | C11 | O12 | 179.7° | 175.3° |
| C10 | C6 | C11 | H111 | 60.9° | 55.3° |
| C10 | C6 | C11 | H112 | 59.7° | 64.7° |
| C6 | C10 | O11 | C9 | 126.1° | 119.6° |
| C6 | C10 | O11 | H10 | 115.6° | 120.1° |
| C6 | C10 | C9 | H10 | 115.7° | 119.8° |
| C6 | C10 | O11 | HO11 | 97.4° | 180.0° |
| C6 | C10 | C9 | O10 | 164.6° | 173.6° |
| C6 | C10 | C9 | C8 | 43.7° | 53.7° |
| C6 | C10 | C9 | H9 | 75.0° | 66.1° |
| H6 | C6 | C11 | O12 | 62.2° | 55.6° |
| H6 | C6 | C11 | H111 | 178.4° | 64.5° |
| H6 | C6 | C11 | H112 | 57.8° | 175.5° |
| H6 | C6 | C10 | O11 | 47.4° | 61.1° |
| H6 | C6 | C10 | C9 | 77.0° | 58.9° |
| H6 | C6 | C10 | H10 | 165.0° | 178.7° |
| O12 | C11 | H111 | H112 | 119.6° | 120.0° |
| H111 | C11 | O12 | HO12 | 171.8° | 60.0° |
| H112 | C11 | O12 | HO12 | 51.2° | 60.0° |
| O11 | C10 | C9 | H10 | 117.9° | 120.2° |
| O11 | C10 | C9 | O10 | 69.0° | 66.4° |
| O11 | C10 | C9 | C8 | 170.2° | 173.6° |
| O11 | C10 | C9 | H9 | 51.4° | 53.9° |
| C9 | C10 | O11 | HO11 | 28.7° | 60.4° |
| C10 | C9 | O10 | C8 | 122.5° | 119.3° |
| C10 | C9 | O10 | H9 | 118.7° | 120.3° |
| C10 | C9 | C8 | H9 | 118.6° | 119.7° |
| C10 | C9 | O10 | HO10 | 83.2° | 180.0° |
| C10 | C9 | C8 | O9 | 67.6° | 66.2° |
| C10 | C9 | C8 | H8 | 173.4° | 173.6° |
| H10 | C10 | O11 | HO11 | 147.1° | 59.8° |
| H10 | C10 | C9 | O10 | 48.9° | 53.8° |
| H10 | C10 | C9 | C8 | 71.9° | 66.1° |
| H10 | C10 | C9 | H9 | 169.4° | 174.1° |
| O10 | C9 | C8 | H9 | 120.4° | 120.4° |
| O10 | C9 | C8 | O9 | 53.4° | 53.6° |
| O10 | C9 | C8 | H8 | 65.6° | 66.6° |
| C8 | C9 | O10 | HO10 | 39.3° | 60.7° |
| C9 | C8 | O9 | H8 | 117.6° | 120.2° |
| C9 | C8 | O9 | HO9 | 132.0° | 180.0° |
| H9 | C9 | O10 | HO10 | 158.1° | 59.7° |
| H9 | C9 | C8 | O9 | 173.8° | 174.0° |
| H9 | C9 | C8 | H8 | 54.8° | 53.8° |
| H8 | C8 | O9 | HO9 | 110.4° | 59.8° |
| O21 | C49 | C50 | H49 | 117.6° | 120.0° |
| O21 | C49 | C50 | O22 | 59.3° | 60.0° |
| O21 | C49 | C50 | C51 | 178.0° | 180.0° |
| O21 | C49 | C50 | H50 | 62.3° | 60.0° |
| C50 | C49 | O21 | HO21 | 21.5° | 66.4° |
| C49 | C50 | O22 | C51 | 120.4° | 120.0° |
| C49 | C50 | O22 | H50 | 120.0° | 120.0° |
| C49 | C50 | C51 | H50 | 120.0° | 120.0° |
| C49 | C50 | O22 | HO22 | 110.3° | 180.0° |
| C49 | C50 | C51 | O23 | 179.5° | 180.0° |
| C49 | C50 | C51 | C52 | 55.7° | 60.0° |
| C49 | C50 | C51 | H51 | 62.2° | 60.0° |
| H49 | C49 | O21 | HO21 | 139.0° | 53.6° |
| H49 | C49 | C50 | O22 | 58.3° | 60.0° |
| H49 | C49 | C50 | C51 | 60.4° | 60.0° |
| H49 | C49 | C50 | H50 | 179.9° | 180.0° |
| O22 | C50 | C51 | H50 | 121.6° | 120.0° |
| O22 | C50 | C51 | O23 | 62.2° | 59.9° |
| O22 | C50 | C51 | C52 | 174.1° | 180.0° |
| O22 | C50 | C51 | H51 | 56.2° | 60.0° |
| C51 | C50 | O22 | HO22 | 129.3° | 60.0° |
| C50 | C51 | O23 | C52 | 124.9° | 120.1° |
| C50 | C51 | O23 | H51 | 117.1° | 119.9° |
| C50 | C51 | C52 | H51 | 117.0° | 119.9° |
| C50 | C51 | O23 | HO23 | 175.3° | 63.8° |
| C50 | C51 | C52 | O1 | 178.0° | 180.0° |
| C50 | C51 | C52 | H52 | 62.0° | 60.0° |
| H50 | C50 | O22 | HO22 | 9.7° | 60.0° |
| H50 | C50 | C51 | O23 | 59.4° | 60.0° |
| H50 | C50 | C51 | C52 | 64.3° | 60.0° |
| H50 | C50 | C51 | H51 | 177.8° | 180.0° |
| O23 | C51 | C52 | H51 | 118.4° | 120.0° |
| O23 | C51 | C52 | O1 | 57.5° | 60.0° |
| O23 | C51 | C52 | H52 | 62.5° | 60.0° |
| C52 | C51 | O23 | HO23 | 59.8° | 176.1° |
| C51 | C52 | O1 | H52 | 123.6° | 119.9° |
| C51 | C52 | O1 | C1 | 140.3° | 142.8° |
| H51 | C51 | O23 | HO23 | 58.3° | 56.1° |
| H51 | C51 | C52 | O1 | 61.0° | 60.1° |
| H51 | C51 | C52 | H52 | 179.1° | 179.9° |
| C52 | O1 | C1 | O | 101.7° | 76.9° |
| C52 | O1 | C1 | C2 | 138.5° | 162.9° |
| C52 | O1 | C1 | H1 | 16.6° | 43.0° |
| H52 | C52 | O1 | C1 | 16.7° | 22.9° |
| O1 | C1 | O | C2 | 120.9° | 120.1° |
| O1 | C1 | O | H1 | 117.2° | 119.9° |
| O1 | C1 | C2 | H1 | 117.4° | 119.9° |
| O1 | C1 | O | C | 64.0° | 52.5° |
| O1 | C1 | C2 | C3 | 57.2° | 58.8° |
| O1 | C1 | C2 | O3 | 180.0° | 178.7° |
| O1 | C1 | C2 | H2 | 61.4° | 61.1° |
| O | C1 | C2 | H1 | 118.5° | 120.1° |
| C1 | O | C | C5 | 155.6° | 172.4° |
| C1 | O | C | C4 | 33.9° | 67.6° |
| C1 | O | C | H | 80.1° | 52.5° |
| O | C1 | C2 | C3 | 67.0° | 61.3° |
| O | C1 | C2 | O3 | 55.9° | 58.7° |
| O | C1 | C2 | H2 | 174.4° | 178.9° |
| C2 | C1 | O | C | 56.9° | 67.6° |
| C1 | C2 | C3 | C4 | 54.5° | 53.7° |
| C1 | C2 | C3 | O4 | 178.3° | 173.6° |
| C1 | C2 | C3 | O3 | 121.5° | 120.0° |
| C1 | C2 | C3 | H2 | 120.0° | 119.8° |
| C1 | C2 | C3 | H3 | 61.5° | 65.9° |
| C1 | C2 | O3 | H2 | 120.0° | 120.2° |
| C1 | C2 | O3 | HO3 | 169.3° | 60.3° |
| H1 | C1 | O | C | 178.8° | 172.4° |
| H1 | C1 | C2 | C3 | 174.5° | 178.6° |
| H1 | C1 | C2 | O3 | 62.6° | 61.4° |
| H1 | C1 | C2 | H2 | 55.9° | 58.8° |
| O | C | C5 | C4 | 128.2° | 120.3° |
| O | C | C5 | H | 117.2° | 119.9° |
| O | C | C4 | H | 116.3° | 120.1° |
| O | C | C5 | O6 | 107.5° | 63.4° |
| O | C | C5 | H51A | 12.7° | 176.6° |
| O | C | C5 | H52A | 132.5° | 56.6° |
| O | C | C4 | O5 | 141.5° | 178.8° |
| O | C | C4 | C3 | 18.7° | 61.2° |
| O | C | C4 | H4 | 98.2° | 58.7° |
| C5 | C | C4 | H | 124.1° | 119.8° |
| C | C5 | O6 | H51A | 120.3° | 120.0° |
| C | C5 | O6 | H52A | 120.0° | 120.0° |
| C | C5 | H51A | H52A | 120.1° | 120.1° |
| C | C5 | O6 | HO6 | 110.4° | 180.0° |
| C5 | C | C4 | O5 | 98.9° | 58.7° |
| C5 | C | C4 | C3 | 138.3° | 178.7° |
| C5 | C | C4 | H4 | 21.4° | 61.4° |
| C4 | C | C5 | O6 | 124.3° | 176.3° |
| C4 | C | C5 | H51A | 115.5° | 56.3° |
| C4 | C | C5 | H52A | 4.3° | 63.7° |
| C | C4 | O5 | C3 | 125.6° | 119.6° |
| C | C4 | O5 | H4 | 117.1° | 120.2° |
| C | C4 | C3 | H4 | 116.8° | 119.9° |
| C | C4 | O5 | HO5 | 2.8° | 180.0° |
| C | C4 | C3 | O4 | 157.3° | 173.7° |
| C | C4 | C3 | C2 | 29.8° | 53.7° |
| C | C4 | C3 | H3 | 85.8° | 66.0° |
| H | C | C5 | O6 | 9.7° | 56.5° |
| H | C | C5 | H51A | 129.9° | 63.5° |
| H | C | C5 | H52A | 110.3° | 176.5° |
| H | C | C4 | O5 | 25.2° | 61.1° |
| H | C | C4 | C3 | 97.6° | 58.9° |
| H | C | C4 | H4 | 145.5° | 178.7° |
| O6 | C5 | H51A | H52A | 120.2° | 120.0° |
| H51A | C5 | O6 | HO6 | 9.9° | 60.0° |
| H52A | C5 | O6 | HO6 | 129.6° | 60.0° |
| O5 | C4 | C3 | H4 | 120.3° | 120.2° |
| O5 | C4 | C3 | O4 | 79.8° | 66.4° |
| O5 | C4 | C3 | C2 | 152.7° | 173.6° |
| O5 | C4 | C3 | H3 | 37.1° | 53.9° |
| C3 | C4 | O5 | HO5 | 128.4° | 60.4° |
| C4 | C3 | O4 | C2 | 128.0° | 119.2° |
| C4 | C3 | O4 | H3 | 116.2° | 120.3° |
| C4 | C3 | C2 | H3 | 116.0° | 119.7° |
| C4 | C3 | O4 | HO4 | 154.4° | 180.0° |
| C4 | C3 | C2 | O3 | 67.0° | 66.3° |
| C4 | C3 | C2 | H2 | 174.5° | 173.6° |
| H4 | C4 | O5 | HO5 | 114.3° | 59.8° |
| H4 | C4 | C3 | O4 | 40.5° | 53.8° |
| H4 | C4 | C3 | C2 | 86.9° | 66.2° |
| H4 | C4 | C3 | H3 | 157.4° | 174.1° |
| O4 | C3 | C2 | H3 | 116.8° | 120.5° |
| O4 | C3 | C2 | O3 | 60.2° | 53.5° |
| O4 | C3 | C2 | H2 | 58.3° | 66.6° |
| C2 | C3 | O4 | HO4 | 77.6° | 60.8° |
| C3 | C2 | O3 | H2 | 118.5° | 120.1° |
| C3 | C2 | O3 | HO3 | 69.2° | 180.0° |
| H3 | C3 | O4 | HO4 | 38.1° | 59.7° |
| H3 | C3 | C2 | O3 | 177.1° | 174.0° |
| H3 | C3 | C2 | H2 | 58.6° | 53.9° |
| H2 | C2 | O3 | HO3 | 49.3° | 59.8° |
