OKA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | O1 | doub | 1.21Å | 1.36Å | |
| C1 | O2 | sing | 1.34Å | 1.22Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C44 | sing | 1.53Å | 1.56Å | |
| C2 | O3 | sing | 1.43Å | 1.39Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.45Å | |
| C4 | O4 | sing | 1.43Å | 1.49Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.56Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.49Å | |
| C7 | O5 | sing | 1.43Å | 1.46Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.50Å | 1.45Å | |
| C8 | O4 | sing | 1.43Å | 1.50Å | |
| C8 | O6 | sing | 1.43Å | 1.44Å | |
| C9 | C10 | doub | 1.30Å | 1.34Å | |
| C9 | H91 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | C43 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | O6 | sing | 1.43Å | 1.40Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.51Å | 1.48Å | |
| C13 | C42 | sing | 1.53Å | 1.50Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | doub | 1.31Å | 1.26Å | |
| C14 | H141 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C15 | H151 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | sing | 1.54Å | 1.52Å | |
| C16 | O7 | sing | 1.45Å | 1.41Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C17 | C18 | sing | 1.55Å | 1.56Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C18 | C19 | sing | 1.54Å | 1.60Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C19 | C20 | sing | 1.53Å | 1.48Å | |
| C19 | O7 | sing | 1.44Å | 1.45Å | |
| C19 | O8 | sing | 1.42Å | 1.46Å | |
| C20 | C21 | sing | 1.53Å | 1.59Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | sing | 1.53Å | 1.50Å | |
| C22 | O9 | sing | 1.43Å | 1.42Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C23 | C24 | sing | 1.54Å | 1.56Å | |
| C23 | O8 | sing | 1.43Å | 1.43Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | sing | 1.53Å | 1.60Å | |
| C24 | O10 | sing | 1.43Å | 1.41Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | sing | 1.51Å | 1.48Å | |
| C25 | C41 | doub | 1.31Å | 1.25Å | |
| C26 | C27 | sing | 1.53Å | 1.56Å | |
| C26 | O9 | sing | 1.43Å | 1.49Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C27 | C28 | sing | 1.53Å | 1.56Å | |
| C27 | O11 | sing | 1.43Å | 1.36Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C28 | C29 | sing | 1.53Å | 1.56Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C29 | C30 | sing | 1.53Å | 1.56Å | |
| C29 | C40 | sing | 1.53Å | 1.52Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C30 | O12 | sing | 1.43Å | 1.46Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | C39 | sing | 1.53Å | 1.56Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.12Å | |
| C33 | C34 | sing | 1.53Å | 1.49Å | |
| C33 | H331 | sing | 1.09Å | 1.11Å | |
| C33 | H332 | sing | 1.09Å | 1.12Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | O12 | sing | 1.43Å | 1.42Å | |
| C34 | O13 | sing | 1.43Å | 1.46Å | |
| C35 | C36 | sing | 1.53Å | 1.56Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| C35 | H352 | sing | 1.09Å | 1.12Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C37 | H371 | sing | 1.09Å | 1.11Å | |
| C37 | H372 | sing | 1.09Å | 1.12Å | |
| C38 | O13 | sing | 1.43Å | 1.47Å | |
| C38 | H381 | sing | 1.09Å | 1.11Å | |
| C38 | H382 | sing | 1.09Å | 1.12Å | |
| C39 | H391 | sing | 1.09Å | 1.12Å | |
| C39 | H392 | sing | 1.09Å | 1.12Å | |
| C39 | H393 | sing | 1.09Å | 1.11Å | |
| C40 | H401 | sing | 1.09Å | 1.12Å | |
| C40 | H402 | sing | 1.09Å | 1.12Å | |
| C40 | H403 | sing | 1.09Å | 1.11Å | |
| C41 | H411 | sing | 1.08Å | 1.10Å | |
| C41 | H412 | sing | 1.08Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.12Å | |
| C42 | H422 | sing | 1.09Å | 1.12Å | |
| C42 | H423 | sing | 1.09Å | 1.11Å | |
| C43 | H431 | sing | 1.09Å | 1.11Å | |
| C43 | H432 | sing | 1.09Å | 1.12Å | |
| C43 | H433 | sing | 1.09Å | 1.11Å | |
| C44 | H441 | sing | 1.09Å | 1.11Å | |
| C44 | H442 | sing | 1.09Å | 1.12Å | |
| C44 | H443 | sing | 1.09Å | 1.12Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 114.4° | 120.0° |
| C2 | C1 | O2 | 127.4° | 120.0° |
| C1 | C2 | C3 | 111.9° | 109.5° |
| C1 | C2 | C44 | 103.5° | 109.5° |
| C1 | C2 | O3 | 110.3° | 109.4° |
| O1 | C1 | O2 | 118.3° | 120.0° |
| C1 | O2 | HO2 | 127.4° | 120.0° |
| C3 | C2 | C44 | 111.8° | 109.5° |
| C3 | C2 | O3 | 114.3° | 109.5° |
| C2 | C3 | C4 | 116.5° | 109.5° |
| C2 | C3 | H31 | 109.7° | 109.5° |
| C2 | C3 | H32 | 109.6° | 109.4° |
| C44 | C2 | O3 | 104.4° | 109.5° |
| C2 | C44 | H441 | 103.6° | 109.4° |
| C2 | C44 | H442 | 114.5° | 109.5° |
| C2 | C44 | H443 | 114.5° | 109.5° |
| C2 | O3 | HO3 | 110.3° | 106.8° |
| C4 | C3 | H31 | 109.7° | 109.5° |
| C4 | C3 | H32 | 109.7° | 109.6° |
| C3 | C4 | C5 | 114.8° | 109.3° |
| C3 | C4 | O4 | 105.1° | 109.4° |
| C3 | C4 | H41 | 110.2° | 109.4° |
| H31 | C3 | H32 | 100.5° | 109.4° |
| C5 | C4 | O4 | 113.2° | 109.8° |
| C5 | C4 | H41 | 101.7° | 109.4° |
| C4 | C5 | C6 | 111.0° | 109.1° |
| C4 | C5 | H51 | 111.6° | 109.6° |
| C4 | C5 | H52 | 111.7° | 109.6° |
| O4 | C4 | H41 | 112.0° | 109.4° |
| C4 | O4 | C8 | 113.6° | 107.5° |
| C6 | C5 | H51 | 111.7° | 109.6° |
| C6 | C5 | H52 | 111.7° | 109.5° |
| C5 | C6 | C7 | 106.6° | 108.7° |
| C5 | C6 | H61 | 113.2° | 109.6° |
| C5 | C6 | H62 | 113.3° | 109.6° |
| H51 | C5 | H52 | 98.7° | 109.6° |
| C7 | C6 | H61 | 113.3° | 109.6° |
| C7 | C6 | H62 | 113.3° | 109.6° |
| C6 | C7 | C8 | 113.5° | 108.9° |
| C6 | C7 | O5 | 109.6° | 109.6° |
| C6 | C7 | H71 | 106.5° | 109.6° |
| H61 | C6 | H62 | 97.2° | 109.8° |
| C8 | C7 | O5 | 109.3° | 109.6° |
| C8 | C7 | H71 | 106.8° | 109.6° |
| C7 | C8 | C9 | 118.1° | 109.3° |
| C7 | C8 | O4 | 108.3° | 109.3° |
| C7 | C8 | O6 | 106.1° | 109.2° |
| O5 | C7 | H71 | 111.0° | 109.5° |
| C7 | O5 | HO5 | 109.5° | 106.8° |
| C9 | C8 | O4 | 106.3° | 109.4° |
| C9 | C8 | O6 | 112.2° | 110.5° |
| C8 | C9 | C10 | 125.4° | 122.4° |
| C8 | C9 | H91 | 121.7° | 118.7° |
| O4 | C8 | O6 | 105.0° | 109.0° |
| C8 | O6 | C12 | 119.7° | 107.0° |
| C10 | C9 | H91 | 112.9° | 118.9° |
| C9 | C10 | C11 | 120.0° | 121.1° |
| C9 | C10 | C43 | 123.6° | 119.4° |
| C11 | C10 | C43 | 116.3° | 119.4° |
| C10 | C11 | C12 | 110.9° | 109.0° |
| C10 | C11 | H111 | 111.6° | 109.5° |
| C10 | C11 | H112 | 111.7° | 109.6° |
| C10 | C43 | H431 | 123.6° | 109.5° |
| C10 | C43 | H432 | 107.2° | 109.5° |
| C10 | C43 | H433 | 107.2° | 109.5° |
| C12 | C11 | H111 | 111.7° | 109.5° |
| C12 | C11 | H112 | 111.7° | 109.6° |
| C11 | C12 | C13 | 113.2° | 109.6° |
| C11 | C12 | O6 | 110.3° | 108.8° |
| C11 | C12 | H121 | 106.1° | 109.6° |
| H111 | C11 | H112 | 98.7° | 109.6° |
| C13 | C12 | O6 | 108.6° | 109.6° |
| C13 | C12 | H121 | 107.8° | 109.6° |
| C12 | C13 | C14 | 109.5° | 109.4° |
| C12 | C13 | C42 | 113.1° | 109.4° |
| C12 | C13 | H131 | 107.3° | 109.5° |
| O6 | C12 | H121 | 110.8° | 109.6° |
| C14 | C13 | C42 | 110.4° | 109.5° |
| C14 | C13 | H131 | 110.2° | 109.5° |
| C13 | C14 | C15 | 126.6° | 120.0° |
| C13 | C14 | H141 | 126.1° | 120.1° |
| C42 | C13 | H131 | 106.3° | 109.5° |
| C13 | C42 | H421 | 113.1° | 109.5° |
| C13 | C42 | H422 | 110.9° | 109.5° |
| C13 | C42 | H423 | 110.9° | 109.4° |
| C15 | C14 | H141 | 107.3° | 120.0° |
| C14 | C15 | C16 | 130.0° | 120.0° |
| C14 | C15 | H151 | 103.4° | 120.0° |
| C16 | C15 | H151 | 126.6° | 120.0° |
| C15 | C16 | C17 | 121.2° | 110.4° |
| C15 | C16 | O7 | 108.5° | 110.4° |
| C15 | C16 | H161 | 100.6° | 110.3° |
| C17 | C16 | O7 | 105.2° | 104.9° |
| C17 | C16 | H161 | 104.2° | 110.4° |
| C16 | C17 | C18 | 105.7° | 104.1° |
| C16 | C17 | H171 | 113.6° | 110.5° |
| C16 | C17 | H172 | 113.6° | 110.5° |
| O7 | C16 | H161 | 118.0° | 110.4° |
| C16 | O7 | C19 | 107.8° | 105.2° |
| C18 | C17 | H171 | 113.6° | 110.5° |
| C18 | C17 | H172 | 113.6° | 110.5° |
| C17 | C18 | C19 | 102.1° | 103.9° |
| C17 | C18 | H181 | 115.0° | 110.5° |
| C17 | C18 | H182 | 115.0° | 110.5° |
| H171 | C17 | H172 | 96.9° | 110.6° |
| C19 | C18 | H181 | 115.0° | 110.6° |
| C19 | C18 | H182 | 115.0° | 110.5° |
| C18 | C19 | C20 | 111.5° | 110.0° |
| C18 | C19 | O7 | 103.3° | 105.3° |
| C18 | C19 | O8 | 107.9° | 110.3° |
| H181 | C18 | H182 | 95.4° | 110.6° |
| C20 | C19 | O7 | 112.7° | 110.0° |
| C20 | C19 | O8 | 112.4° | 110.7° |
| C19 | C20 | C21 | 109.4° | 108.7° |
| C19 | C20 | H201 | 112.2° | 109.6° |
| C19 | C20 | H202 | 112.2° | 109.5° |
| O7 | C19 | O8 | 108.5° | 110.4° |
| C19 | O8 | C23 | 110.4° | 108.5° |
| C21 | C20 | H201 | 112.2° | 109.6° |
| C21 | C20 | H202 | 112.2° | 109.7° |
| C20 | C21 | C22 | 106.8° | 109.1° |
| C20 | C21 | H211 | 113.2° | 109.6° |
| C20 | C21 | H212 | 113.2° | 109.5° |
| H201 | C20 | H202 | 98.2° | 109.7° |
| C22 | C21 | H211 | 113.2° | 109.5° |
| C22 | C21 | H212 | 113.2° | 109.5° |
| C21 | C22 | C23 | 108.7° | 109.8° |
| C21 | C22 | O9 | 107.3° | 108.2° |
| C21 | C22 | H221 | 112.5° | 109.6° |
| H211 | C21 | H212 | 97.3° | 109.6° |
| C23 | C22 | O9 | 112.5° | 110.1° |
| C23 | C22 | H221 | 107.2° | 109.5° |
| C22 | C23 | C24 | 106.9° | 109.4° |
| C22 | C23 | O8 | 112.7° | 110.1° |
| C22 | C23 | H231 | 108.9° | 109.9° |
| O9 | C22 | H221 | 108.6° | 109.6° |
| C22 | O9 | C26 | 114.4° | 108.1° |
| C24 | C23 | O8 | 109.1° | 108.0° |
| C24 | C23 | H231 | 112.5° | 109.7° |
| C23 | C24 | C25 | 109.7° | 107.3° |
| C23 | C24 | O10 | 111.1° | 109.7° |
| C23 | C24 | H241 | 109.2° | 109.7° |
| O8 | C23 | H231 | 106.7° | 109.7° |
| C25 | C24 | O10 | 112.0° | 109.8° |
| C25 | C24 | H241 | 108.1° | 110.6° |
| C24 | C25 | C26 | 110.2° | 117.3° |
| C24 | C25 | C41 | 120.4° | 121.2° |
| O10 | C24 | H241 | 106.7° | 109.7° |
| C24 | O10 | HO10 | 111.1° | 106.8° |
| C26 | C25 | C41 | 129.3° | 121.5° |
| C25 | C26 | C27 | 119.5° | 109.6° |
| C25 | C26 | O9 | 112.8° | 108.6° |
| C25 | C26 | H261 | 98.3° | 109.7° |
| C25 | C41 | H411 | 129.3° | 120.0° |
| C25 | C41 | H412 | 120.4° | 119.9° |
| C27 | C26 | O9 | 106.0° | 109.6° |
| C27 | C26 | H261 | 106.2° | 109.6° |
| C26 | C27 | C28 | 110.3° | 109.4° |
| C26 | C27 | O11 | 112.8° | 109.5° |
| C26 | C27 | H271 | 106.4° | 109.5° |
| O9 | C26 | H261 | 114.0° | 109.7° |
| C28 | C27 | O11 | 108.9° | 109.5° |
| C28 | C27 | H271 | 110.5° | 109.4° |
| C27 | C28 | C29 | 115.0° | 109.5° |
| C27 | C28 | H281 | 110.2° | 109.5° |
| C27 | C28 | H282 | 110.2° | 109.5° |
| O11 | C27 | H271 | 107.9° | 109.5° |
| C27 | O11 | HO11 | 112.8° | 106.8° |
| C29 | C28 | H281 | 110.2° | 109.4° |
| C29 | C28 | H282 | 110.2° | 109.4° |
| C28 | C29 | C30 | 108.2° | 109.5° |
| C28 | C29 | C40 | 110.2° | 109.5° |
| C28 | C29 | H291 | 109.9° | 109.5° |
| H281 | C28 | H282 | 100.0° | 109.5° |
| C30 | C29 | C40 | 109.6° | 109.5° |
| C30 | C29 | H291 | 110.5° | 109.4° |
| C29 | C30 | C31 | 114.5° | 109.5° |
| C29 | C30 | O12 | 106.3° | 109.5° |
| C29 | C30 | H301 | 108.7° | 109.4° |
| C40 | C29 | H291 | 108.5° | 109.5° |
| C29 | C40 | H401 | 110.1° | 109.5° |
| C29 | C40 | H402 | 111.9° | 109.5° |
| C29 | C40 | H403 | 112.0° | 109.4° |
| C31 | C30 | O12 | 110.4° | 109.7° |
| C31 | C30 | H301 | 104.4° | 109.4° |
| C30 | C31 | C32 | 106.8° | 109.1° |
| C30 | C31 | C39 | 115.1° | 109.5° |
| C30 | C31 | H311 | 107.6° | 109.5° |
| O12 | C30 | H301 | 112.9° | 109.4° |
| C30 | O12 | C34 | 117.3° | 107.7° |
| C32 | C31 | C39 | 109.6° | 109.5° |
| C32 | C31 | H311 | 113.3° | 109.6° |
| C31 | C32 | C33 | 112.2° | 108.7° |
| C31 | C32 | H321 | 111.2° | 109.6° |
| C31 | C32 | H322 | 111.2° | 109.6° |
| C39 | C31 | H311 | 104.7° | 109.5° |
| C31 | C39 | H391 | 115.0° | 109.5° |
| C31 | C39 | H392 | 110.1° | 109.4° |
| C31 | C39 | H393 | 110.2° | 109.4° |
| C33 | C32 | H321 | 111.2° | 109.6° |
| C33 | C32 | H322 | 111.2° | 109.6° |
| C32 | C33 | C34 | 112.3° | 109.0° |
| C32 | C33 | H331 | 111.2° | 109.5° |
| C32 | C33 | H332 | 111.1° | 109.5° |
| H321 | C32 | H322 | 99.1° | 109.7° |
| C34 | C33 | H331 | 111.2° | 109.6° |
| C34 | C33 | H332 | 111.2° | 109.6° |
| C33 | C34 | C35 | 115.6° | 109.2° |
| C33 | C34 | O12 | 112.2° | 109.6° |
| C33 | C34 | O13 | 103.7° | 109.4° |
| H331 | C33 | H332 | 99.2° | 109.7° |
| C35 | C34 | O12 | 105.5° | 109.4° |
| C35 | C34 | O13 | 109.6° | 109.7° |
| C34 | C35 | C36 | 112.3° | 108.9° |
| C34 | C35 | H351 | 111.2° | 109.6° |
| C34 | C35 | H352 | 111.2° | 109.6° |
| O12 | C34 | O13 | 110.3° | 109.6° |
| C34 | O13 | C38 | 117.6° | 107.5° |
| C36 | C35 | H351 | 111.2° | 109.5° |
| C36 | C35 | H352 | 111.2° | 109.6° |
| C35 | C36 | C37 | 115.6° | 108.7° |
| C35 | C36 | H361 | 110.0° | 109.6° |
| C35 | C36 | H362 | 110.0° | 109.6° |
| H351 | C35 | H352 | 99.1° | 109.6° |
| C37 | C36 | H361 | 109.9° | 109.6° |
| C37 | C36 | H362 | 109.9° | 109.6° |
| C36 | C37 | C38 | 110.1° | 109.0° |
| C36 | C37 | H371 | 112.0° | 109.6° |
| C36 | C37 | H372 | 112.0° | 109.5° |
| H361 | C36 | H362 | 100.3° | 109.8° |
| C38 | C37 | H371 | 112.0° | 109.5° |
| C38 | C37 | H372 | 112.0° | 109.5° |
| C37 | C38 | O13 | 111.8° | 109.8° |
| C37 | C38 | H381 | 111.4° | 109.4° |
| C37 | C38 | H382 | 111.3° | 109.4° |
| H371 | C37 | H372 | 98.4° | 109.7° |
| O13 | C38 | H381 | 111.3° | 109.4° |
| O13 | C38 | H382 | 111.3° | 109.4° |
| H381 | C38 | H382 | 99.0° | 109.4° |
| H391 | C39 | H392 | 110.2° | 109.5° |
| H391 | C39 | H393 | 110.2° | 109.5° |
| H392 | C39 | H393 | 100.1° | 109.5° |
| H401 | C40 | H402 | 111.9° | 109.5° |
| H401 | C40 | H403 | 112.0° | 109.4° |
| H402 | C40 | H403 | 98.5° | 109.4° |
| H411 | C41 | H412 | 110.2° | 120.1° |
| H421 | C42 | H422 | 110.8° | 109.5° |
| H421 | C42 | H423 | 110.9° | 109.5° |
| H422 | C42 | H423 | 99.4° | 109.5° |
| H431 | C43 | H432 | 107.2° | 109.4° |
| H431 | C43 | H433 | 107.2° | 109.5° |
| H432 | C43 | H433 | 102.5° | 109.5° |
| H441 | C44 | H442 | 114.4° | 109.5° |
| H441 | C44 | H443 | 114.4° | 109.5° |
| H442 | C44 | H443 | 95.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O2 | 179.8° | 180.0° |
| C1 | C2 | C3 | C44 | 115.5° | 120.1° |
| C1 | C2 | C3 | O3 | 126.2° | 120.0° |
| C1 | C2 | C44 | O3 | 115.4° | 120.0° |
| C1 | C2 | C3 | C4 | 65.3° | 173.5° |
| C1 | C2 | C3 | H31 | 169.5° | 53.5° |
| C1 | C2 | C3 | H32 | 60.0° | 66.4° |
| C1 | C2 | C44 | H441 | 180.0° | 70.6° |
| C1 | C2 | C44 | H442 | 54.7° | 169.4° |
| C1 | C2 | C44 | H443 | 54.7° | 49.4° |
| C2 | C1 | O2 | HO2 | 179.9° | 180.0° |
| C1 | C2 | O3 | HO3 | 180.0° | 60.0° |
| O1 | C1 | C2 | C3 | 123.7° | 120.0° |
| O1 | C1 | C2 | C44 | 115.8° | 120.0° |
| O1 | C1 | C2 | O3 | 4.7° | 0.0° |
| O1 | C1 | O2 | HO2 | 0.4° | 0.0° |
| O2 | C1 | C2 | C3 | 56.0° | 60.0° |
| O2 | C1 | C2 | C44 | 64.4° | 60.0° |
| O2 | C1 | C2 | O3 | 175.6° | 180.0° |
| C3 | C2 | C44 | O3 | 124.0° | 120.0° |
| C2 | C3 | C4 | H31 | 125.3° | 120.0° |
| C2 | C3 | C4 | H32 | 125.2° | 120.0° |
| C2 | C3 | H31 | H32 | 115.4° | 119.9° |
| C2 | C3 | C4 | C5 | 179.4° | 176.8° |
| C2 | C3 | C4 | O4 | 55.5° | 56.5° |
| C2 | C3 | C4 | H41 | 65.3° | 63.4° |
| C3 | C2 | C44 | H441 | 59.5° | 49.4° |
| C3 | C2 | C44 | H442 | 175.3° | 70.6° |
| C3 | C2 | C44 | H443 | 65.8° | 169.4° |
| C3 | C2 | O3 | HO3 | 53.0° | 60.0° |
| C44 | C2 | C3 | C4 | 179.2° | 66.5° |
| C44 | C2 | C3 | H31 | 53.9° | 173.5° |
| C44 | C2 | C3 | H32 | 55.5° | 53.6° |
| C2 | C44 | H441 | H442 | 125.3° | 120.0° |
| C2 | C44 | H441 | H443 | 125.3° | 120.0° |
| C2 | C44 | H442 | H443 | 120.4° | 120.0° |
| C44 | C2 | O3 | HO3 | 69.4° | 180.0° |
| O3 | C2 | C3 | C4 | 61.0° | 53.5° |
| O3 | C2 | C3 | H31 | 64.3° | 66.5° |
| O3 | C2 | C3 | H32 | 173.8° | 173.6° |
| O3 | C2 | C44 | H441 | 64.6° | 169.4° |
| O3 | C2 | C44 | H442 | 60.7° | 49.4° |
| O3 | C2 | C44 | H443 | 170.2° | 70.6° |
| C4 | C3 | H31 | H32 | 115.5° | 120.1° |
| C3 | C4 | C5 | O4 | 120.7° | 120.1° |
| C3 | C4 | C5 | H41 | 118.9° | 119.8° |
| C3 | C4 | O4 | H41 | 119.6° | 119.8° |
| C3 | C4 | C5 | C6 | 177.9° | 178.9° |
| C3 | C4 | C5 | H51 | 52.6° | 61.2° |
| C3 | C4 | C5 | H52 | 56.8° | 59.0° |
| C3 | C4 | O4 | C8 | 179.1° | 172.1° |
| H31 | C3 | C4 | C5 | 55.3° | 63.2° |
| H31 | C3 | C4 | O4 | 69.7° | 176.5° |
| H31 | C3 | C4 | H41 | 169.4° | 56.6° |
| H32 | C3 | C4 | C5 | 54.2° | 56.8° |
| H32 | C3 | C4 | O4 | 179.2° | 63.5° |
| H32 | C3 | C4 | H41 | 59.9° | 176.6° |
| C5 | C4 | O4 | H41 | 114.3° | 120.1° |
| C4 | C5 | C6 | H51 | 125.2° | 119.9° |
| C4 | C5 | C6 | H52 | 125.3° | 119.9° |
| C4 | C5 | H51 | H52 | 117.5° | 120.2° |
| C4 | C5 | C6 | C7 | 56.9° | 53.5° |
| C4 | C5 | C6 | H61 | 177.9° | 173.3° |
| C4 | C5 | C6 | H62 | 68.4° | 66.2° |
| C5 | C4 | O4 | C8 | 54.8° | 67.8° |
| O4 | C4 | C5 | C6 | 57.1° | 61.1° |
| O4 | C4 | C5 | H51 | 68.1° | 58.9° |
| O4 | C4 | C5 | H52 | 177.5° | 179.1° |
| C4 | O4 | C8 | C7 | 52.3° | 68.1° |
| C4 | O4 | C8 | C9 | 179.8° | 172.1° |
| C4 | O4 | C8 | O6 | 60.7° | 51.2° |
| H41 | C4 | C5 | C6 | 63.2° | 59.1° |
| H41 | C4 | C5 | H51 | 171.5° | 179.0° |
| H41 | C4 | C5 | H52 | 62.1° | 60.8° |
| H41 | C4 | O4 | C8 | 59.4° | 52.3° |
| C6 | C5 | H51 | H52 | 117.6° | 120.2° |
| C5 | C6 | C7 | H61 | 125.2° | 119.8° |
| C5 | C6 | C7 | H62 | 125.2° | 119.7° |
| C5 | C6 | H61 | H62 | 119.2° | 120.4° |
| C5 | C6 | C7 | C8 | 58.5° | 54.0° |
| C5 | C6 | C7 | O5 | 179.0° | 173.9° |
| C5 | C6 | C7 | H71 | 58.8° | 65.9° |
| H51 | C5 | C6 | C7 | 68.4° | 66.4° |
| H51 | C5 | C6 | H61 | 56.9° | 53.4° |
| H51 | C5 | C6 | H62 | 166.4° | 173.9° |
| H52 | C5 | C6 | C7 | 177.8° | 173.4° |
| H52 | C5 | C6 | H61 | 52.6° | 66.8° |
| H52 | C5 | C6 | H62 | 56.9° | 53.7° |
| C7 | C6 | H61 | H62 | 119.2° | 120.4° |
| C6 | C7 | C8 | O5 | 122.7° | 119.9° |
| C6 | C7 | C8 | H71 | 117.1° | 119.9° |
| C6 | C7 | O5 | H71 | 117.4° | 120.3° |
| C6 | C7 | C8 | C9 | 176.7° | 178.4° |
| C6 | C7 | C8 | O4 | 55.9° | 61.8° |
| C6 | C7 | C8 | O6 | 56.4° | 57.4° |
| C6 | C7 | O5 | HO5 | 180.0° | 60.0° |
| H61 | C6 | C7 | C8 | 176.3° | 173.7° |
| H61 | C6 | C7 | O5 | 53.8° | 66.3° |
| H61 | C6 | C7 | H71 | 66.4° | 53.9° |
| H62 | C6 | C7 | C8 | 66.7° | 65.7° |
| H62 | C6 | C7 | O5 | 55.8° | 54.2° |
| H62 | C6 | C7 | H71 | 176.0° | 174.4° |
| C8 | C7 | O5 | H71 | 117.6° | 120.2° |
| C7 | C8 | C9 | O4 | 121.8° | 119.7° |
| C7 | C8 | C9 | O6 | 124.0° | 120.2° |
| C7 | C8 | O4 | O6 | 113.0° | 119.3° |
| C7 | C8 | C9 | C10 | 127.8° | 141.4° |
| C7 | C8 | C9 | H91 | 52.2° | 38.5° |
| C7 | C8 | O6 | C12 | 165.0° | 177.3° |
| C8 | C7 | O5 | HO5 | 55.0° | 179.5° |
| O5 | C7 | C8 | C9 | 60.7° | 58.5° |
| O5 | C7 | C8 | O4 | 178.5° | 178.3° |
| O5 | C7 | C8 | O6 | 66.3° | 62.5° |
| H71 | C7 | C8 | C9 | 59.5° | 61.7° |
| H71 | C7 | C8 | O4 | 61.3° | 58.1° |
| H71 | C7 | C8 | O6 | 173.5° | 177.3° |
| H71 | C7 | O5 | HO5 | 62.6° | 60.3° |
| C9 | C8 | O4 | O6 | 119.1° | 121.0° |
| C8 | C9 | C10 | H91 | 179.9° | 179.9° |
| C8 | C9 | C10 | C11 | 1.7° | 0.0° |
| C8 | C9 | C10 | C43 | 179.5° | 179.9° |
| C9 | C8 | O6 | C12 | 34.6° | 57.0° |
| O4 | C8 | C9 | C10 | 110.3° | 98.9° |
| O4 | C8 | C9 | H91 | 69.6° | 81.3° |
| O4 | C8 | O6 | C12 | 80.4° | 63.3° |
| O6 | C8 | C9 | C10 | 3.9° | 21.2° |
| O6 | C8 | C9 | H91 | 176.2° | 158.7° |
| C8 | O6 | C12 | C11 | 55.2° | 73.8° |
| C8 | O6 | C12 | C13 | 179.7° | 166.3° |
| C8 | O6 | C12 | H121 | 62.0° | 46.0° |
| C9 | C10 | C11 | C43 | 178.9° | 179.9° |
| C9 | C10 | C11 | C12 | 18.4° | 14.1° |
| C9 | C10 | C11 | H111 | 143.6° | 105.7° |
| C9 | C10 | C11 | H112 | 106.9° | 134.0° |
| C9 | C10 | C43 | H431 | 180.0° | 0.1° |
| C9 | C10 | C43 | H432 | 54.8° | 120.0° |
| C9 | C10 | C43 | H433 | 54.7° | 120.0° |
| H91 | C9 | C10 | C11 | 178.3° | 179.9° |
| H91 | C9 | C10 | C43 | 0.5° | 0.2° |
| C10 | C11 | C12 | H111 | 125.2° | 119.8° |
| C10 | C11 | C12 | H112 | 125.3° | 119.9° |
| C10 | C11 | H111 | H112 | 117.6° | 120.2° |
| C10 | C11 | C12 | C13 | 166.0° | 170.0° |
| C10 | C11 | C12 | O6 | 44.1° | 50.2° |
| C10 | C11 | C12 | H121 | 76.0° | 69.6° |
| C11 | C10 | C43 | H431 | 1.1° | 180.0° |
| C11 | C10 | C43 | H432 | 124.1° | 60.1° |
| C11 | C10 | C43 | H433 | 126.4° | 60.0° |
| C43 | C10 | C11 | C12 | 160.5° | 165.8° |
| C43 | C10 | C11 | H111 | 35.3° | 74.3° |
| C43 | C10 | C11 | H112 | 74.2° | 45.9° |
| C10 | C43 | H431 | H432 | 125.2° | 120.0° |
| C10 | C43 | H431 | H433 | 125.3° | 120.0° |
| C10 | C43 | H432 | H433 | 112.7° | 120.0° |
| C12 | C11 | H111 | H112 | 117.6° | 120.3° |
| C11 | C12 | C13 | O6 | 122.8° | 119.3° |
| C11 | C12 | C13 | H121 | 117.0° | 120.4° |
| C11 | C12 | O6 | H121 | 117.2° | 119.8° |
| C11 | C12 | C13 | C14 | 178.0° | 172.5° |
| C11 | C12 | C13 | C42 | 58.4° | 67.5° |
| C11 | C12 | C13 | H131 | 58.5° | 52.5° |
| H111 | C11 | C12 | C13 | 68.8° | 50.2° |
| H111 | C11 | C12 | O6 | 169.3° | 69.6° |
| H111 | C11 | C12 | H121 | 49.2° | 170.6° |
| H112 | C11 | C12 | C13 | 40.7° | 70.1° |
| H112 | C11 | C12 | O6 | 81.2° | 170.1° |
| H112 | C11 | C12 | H121 | 158.7° | 50.3° |
| C13 | C12 | O6 | H121 | 118.3° | 120.3° |
| C12 | C13 | C14 | C42 | 125.1° | 119.9° |
| C12 | C13 | C14 | H131 | 117.8° | 120.0° |
| C12 | C13 | C42 | H131 | 117.5° | 120.0° |
| C12 | C13 | C14 | C15 | 123.6° | 113.9° |
| C12 | C13 | C14 | H141 | 56.4° | 66.2° |
| C12 | C13 | C42 | H421 | 180.0° | 60.0° |
| C12 | C13 | C42 | H422 | 54.7° | 60.0° |
| C12 | C13 | C42 | H423 | 54.7° | 180.0° |
| O6 | C12 | C13 | C14 | 55.2° | 53.1° |
| O6 | C12 | C13 | C42 | 178.8° | 173.1° |
| O6 | C12 | C13 | H131 | 64.4° | 66.9° |
| H121 | C12 | C13 | C14 | 64.9° | 67.1° |
| H121 | C12 | C13 | C42 | 58.6° | 52.8° |
| H121 | C12 | C13 | H131 | 175.5° | 172.8° |
| C14 | C13 | C42 | H131 | 119.5° | 120.1° |
| C13 | C14 | C15 | H141 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 177.8° | 179.9° |
| C13 | C14 | C15 | H151 | 2.2° | 0.1° |
| C14 | C13 | C42 | H421 | 56.9° | 59.9° |
| C14 | C13 | C42 | H422 | 68.3° | 180.0° |
| C14 | C13 | C42 | H423 | 177.7° | 60.1° |
| C42 | C13 | C14 | C15 | 111.2° | 126.1° |
| C42 | C13 | C14 | H141 | 68.7° | 53.8° |
| C13 | C42 | H421 | H422 | 125.3° | 120.0° |
| C13 | C42 | H421 | H423 | 125.3° | 120.0° |
| C13 | C42 | H422 | H423 | 116.8° | 120.0° |
| H131 | C13 | C14 | C15 | 5.8° | 6.1° |
| H131 | C13 | C14 | H141 | 174.2° | 173.8° |
| H131 | C13 | C42 | H421 | 62.6° | 180.0° |
| H131 | C13 | C42 | H422 | 172.2° | 60.0° |
| H131 | C13 | C42 | H423 | 62.7° | 60.0° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 136.6° | 120.0° |
| C14 | C15 | C16 | O7 | 101.7° | 124.5° |
| C14 | C15 | C16 | H161 | 22.7° | 2.2° |
| H141 | C14 | C15 | C16 | 2.2° | 0.0° |
| H141 | C14 | C15 | H151 | 177.8° | 180.0° |
| C15 | C16 | C17 | O7 | 123.3° | 118.9° |
| C15 | C16 | C17 | H161 | 112.0° | 122.2° |
| C15 | C16 | O7 | H161 | 113.4° | 122.2° |
| C15 | C16 | C17 | C18 | 147.0° | 142.8° |
| C15 | C16 | C17 | H171 | 87.7° | 24.1° |
| C15 | C16 | C17 | H172 | 21.8° | 98.5° |
| C15 | C16 | O7 | C19 | 171.3° | 158.9° |
| H151 | C15 | C16 | C17 | 43.4° | 60.0° |
| H151 | C15 | C16 | O7 | 78.3° | 55.5° |
| H151 | C15 | C16 | H161 | 157.2° | 177.7° |
| C17 | C16 | O7 | H161 | 115.6° | 118.9° |
| C16 | C17 | C18 | H171 | 125.2° | 118.7° |
| C16 | C17 | C18 | H172 | 125.3° | 118.6° |
| C16 | C17 | H171 | H172 | 119.5° | 122.6° |
| C16 | C17 | C18 | C19 | 0.6° | 0.3° |
| C16 | C17 | C18 | H181 | 124.7° | 118.9° |
| C16 | C17 | C18 | H182 | 125.8° | 118.3° |
| C17 | C16 | O7 | C19 | 40.2° | 40.0° |
| O7 | C16 | C17 | C18 | 23.8° | 23.9° |
| O7 | C16 | C17 | H171 | 149.0° | 94.8° |
| O7 | C16 | C17 | H172 | 101.5° | 142.5° |
| C16 | O7 | C19 | C18 | 39.2° | 40.0° |
| C16 | O7 | C19 | C20 | 159.8° | 158.4° |
| C16 | O7 | C19 | O8 | 75.1° | 79.1° |
| H161 | C16 | C17 | C18 | 101.0° | 95.0° |
| H161 | C16 | C17 | H171 | 24.3° | 146.3° |
| H161 | C16 | C17 | H172 | 133.8° | 23.6° |
| H161 | C16 | O7 | C19 | 75.4° | 78.9° |
| C18 | C17 | H171 | H172 | 119.5° | 122.7° |
| C17 | C18 | C19 | H181 | 125.3° | 118.6° |
| C17 | C18 | C19 | H182 | 125.3° | 118.6° |
| C17 | C18 | H181 | H182 | 120.9° | 122.7° |
| C17 | C18 | C19 | C20 | 143.2° | 142.0° |
| C17 | C18 | C19 | O7 | 21.9° | 23.6° |
| C17 | C18 | C19 | O8 | 92.9° | 95.6° |
| H171 | C17 | C18 | C19 | 125.8° | 118.4° |
| H171 | C17 | C18 | H181 | 0.6° | 0.2° |
| H171 | C17 | C18 | H182 | 108.9° | 123.0° |
| H172 | C17 | C18 | C19 | 124.7° | 118.9° |
| H172 | C17 | C18 | H181 | 110.1° | 122.5° |
| H172 | C17 | C18 | H182 | 0.5° | 0.3° |
| C19 | C18 | H181 | H182 | 120.9° | 122.7° |
| C18 | C19 | C20 | O7 | 115.7° | 115.5° |
| C18 | C19 | C20 | O8 | 121.3° | 122.2° |
| C18 | C19 | O7 | O8 | 114.3° | 119.1° |
| C18 | C19 | C20 | C21 | 179.4° | 176.8° |
| C18 | C19 | C20 | H201 | 54.2° | 57.0° |
| C18 | C19 | C20 | H202 | 55.3° | 63.5° |
| C18 | C19 | O8 | C23 | 177.3° | 171.2° |
| H181 | C18 | C19 | C20 | 91.5° | 23.4° |
| H181 | C18 | C19 | O7 | 147.1° | 95.1° |
| H181 | C18 | C19 | O8 | 32.4° | 145.8° |
| H182 | C18 | C19 | C20 | 17.9° | 99.4° |
| H182 | C18 | C19 | O7 | 103.4° | 142.1° |
| H182 | C18 | C19 | O8 | 141.8° | 23.0° |
| C20 | C19 | O7 | O8 | 125.1° | 122.5° |
| C19 | C20 | C21 | H201 | 125.2° | 119.8° |
| C19 | C20 | C21 | H202 | 125.3° | 119.7° |
| C19 | C20 | H201 | H202 | 118.1° | 120.3° |
| C19 | C20 | C21 | C22 | 56.2° | 53.3° |
| C19 | C20 | C21 | H211 | 178.5° | 66.6° |
| C19 | C20 | C21 | H212 | 69.0° | 173.2° |
| C20 | C19 | O8 | C23 | 59.3° | 66.9° |
| O7 | C19 | C20 | C21 | 64.9° | 61.2° |
| O7 | C19 | C20 | H201 | 169.8° | 58.5° |
| O7 | C19 | C20 | H202 | 60.3° | 179.0° |
| O7 | C19 | O8 | C23 | 66.0° | 55.2° |
| O8 | C19 | C20 | C21 | 58.1° | 61.1° |
| O8 | C19 | C20 | H201 | 67.2° | 179.2° |
| O8 | C19 | C20 | H202 | 176.7° | 58.7° |
| C19 | O8 | C23 | C22 | 60.3° | 65.3° |
| C19 | O8 | C23 | C24 | 178.9° | 175.3° |
| C19 | O8 | C23 | H231 | 59.2° | 55.8° |
| C21 | C20 | H201 | H202 | 118.2° | 120.5° |
| C20 | C21 | C22 | H211 | 125.3° | 119.9° |
| C20 | C21 | C22 | H212 | 125.2° | 119.9° |
| C20 | C21 | H211 | H212 | 119.2° | 120.2° |
| C20 | C21 | C22 | C23 | 56.4° | 52.9° |
| C20 | C21 | C22 | O9 | 178.4° | 173.1° |
| C20 | C21 | C22 | H221 | 62.2° | 67.5° |
| H201 | C20 | C21 | C22 | 69.0° | 173.0° |
| H201 | C20 | C21 | H211 | 56.2° | 53.2° |
| H201 | C20 | C21 | H212 | 165.8° | 67.1° |
| H202 | C20 | C21 | C22 | 178.5° | 66.5° |
| H202 | C20 | C21 | H211 | 53.3° | 173.7° |
| H202 | C20 | C21 | H212 | 56.3° | 53.5° |
| C22 | C21 | H211 | H212 | 119.1° | 120.2° |
| C21 | C22 | C23 | O9 | 118.8° | 119.0° |
| C21 | C22 | C23 | H221 | 121.9° | 120.4° |
| C21 | C22 | O9 | H221 | 121.9° | 119.4° |
| C21 | C22 | C23 | C24 | 179.4° | 177.5° |
| C21 | C22 | C23 | O8 | 60.7° | 59.0° |
| C21 | C22 | C23 | H231 | 57.5° | 62.0° |
| C21 | C22 | O9 | C26 | 178.5° | 169.3° |
| H211 | C21 | C22 | C23 | 178.4° | 67.0° |
| H211 | C21 | C22 | O9 | 56.4° | 53.2° |
| H211 | C21 | C22 | H221 | 63.1° | 172.6° |
| H212 | C21 | C22 | C23 | 68.9° | 172.8° |
| H212 | C21 | C22 | O9 | 53.1° | 67.0° |
| H212 | C21 | C22 | H221 | 172.6° | 52.4° |
| C23 | C22 | O9 | H221 | 118.5° | 120.6° |
| C22 | C23 | C24 | O8 | 122.2° | 119.8° |
| C22 | C23 | C24 | H231 | 119.5° | 120.6° |
| C22 | C23 | O8 | H231 | 119.5° | 121.1° |
| C22 | C23 | C24 | C25 | 57.4° | 48.1° |
| C22 | C23 | C24 | O10 | 178.3° | 167.2° |
| C22 | C23 | C24 | H241 | 60.9° | 72.1° |
| C23 | C22 | O9 | C26 | 58.9° | 70.7° |
| O9 | C22 | C23 | C24 | 60.6° | 63.5° |
| O9 | C22 | C23 | O8 | 179.5° | 178.0° |
| O9 | C22 | C23 | H231 | 61.3° | 57.0° |
| C22 | O9 | C26 | C25 | 53.0° | 62.6° |
| C22 | O9 | C26 | C27 | 79.5° | 57.1° |
| C22 | O9 | C26 | H261 | 164.0° | 177.5° |
| H221 | C22 | C23 | C24 | 58.8° | 57.1° |
| H221 | C22 | C23 | O8 | 61.1° | 61.4° |
| H221 | C22 | C23 | H231 | 179.4° | 177.6° |
| H221 | C22 | O9 | C26 | 59.6° | 49.8° |
| C24 | C23 | O8 | H231 | 121.8° | 119.5° |
| C23 | C24 | C25 | O10 | 123.8° | 119.2° |
| C23 | C24 | C25 | H241 | 119.0° | 119.6° |
| C23 | C24 | O10 | H241 | 118.9° | 120.6° |
| C23 | C24 | C25 | C26 | 53.8° | 45.8° |
| C23 | C24 | C25 | C41 | 124.9° | 134.5° |
| C23 | C24 | O10 | HO10 | 180.0° | 179.9° |
| O8 | C23 | C24 | C25 | 179.6° | 167.9° |
| O8 | C23 | C24 | O10 | 56.0° | 72.9° |
| O8 | C23 | C24 | H241 | 61.3° | 47.7° |
| H231 | C23 | C24 | C25 | 62.1° | 72.6° |
| H231 | C23 | C24 | O10 | 62.2° | 46.6° |
| H231 | C23 | C24 | H241 | 179.6° | 167.3° |
| C25 | C24 | O10 | H241 | 118.1° | 121.7° |
| C24 | C25 | C26 | C41 | 178.5° | 179.8° |
| C24 | C25 | C26 | C27 | 75.9° | 66.5° |
| C24 | C25 | C26 | O9 | 49.6° | 53.2° |
| C24 | C25 | C26 | H261 | 170.0° | 173.1° |
| C24 | C25 | C41 | H411 | 1.6° | 0.1° |
| C24 | C25 | C41 | H412 | 180.0° | 180.0° |
| C25 | C24 | O10 | HO10 | 57.0° | 62.4° |
| O10 | C24 | C25 | C26 | 177.6° | 164.9° |
| O10 | C24 | C25 | C41 | 1.1° | 15.3° |
| H241 | C24 | C25 | C26 | 65.2° | 73.9° |
| H241 | C24 | C25 | C41 | 116.1° | 105.9° |
| H241 | C24 | O10 | HO10 | 61.1° | 59.3° |
| C25 | C26 | C27 | O9 | 128.7° | 119.1° |
| C25 | C26 | C27 | H261 | 109.7° | 120.5° |
| C25 | C26 | O9 | H261 | 111.0° | 119.9° |
| C25 | C26 | C27 | C28 | 57.5° | 66.5° |
| C25 | C26 | C27 | O11 | 179.5° | 173.6° |
| C25 | C26 | C27 | H271 | 62.4° | 53.5° |
| C26 | C25 | C41 | H411 | 180.0° | 179.7° |
| C26 | C25 | C41 | H412 | 1.6° | 0.2° |
| C41 | C25 | C26 | C27 | 105.5° | 113.3° |
| C41 | C25 | C26 | O9 | 129.0° | 127.0° |
| C41 | C25 | C26 | H261 | 8.5° | 7.1° |
| C25 | C41 | H411 | H412 | 178.5° | 179.9° |
| C27 | C26 | O9 | H261 | 116.5° | 120.4° |
| C26 | C27 | C28 | O11 | 124.3° | 120.0° |
| C26 | C27 | C28 | H271 | 117.4° | 120.0° |
| C26 | C27 | O11 | H271 | 117.3° | 120.1° |
| C26 | C27 | C28 | C29 | 178.5° | 180.0° |
| C26 | C27 | C28 | H281 | 56.2° | 60.0° |
| C26 | C27 | C28 | H282 | 53.3° | 60.1° |
| C26 | C27 | O11 | HO11 | 180.0° | 55.1° |
| O9 | C26 | C27 | C28 | 173.9° | 174.4° |
| O9 | C26 | C27 | O11 | 51.8° | 54.4° |
| O9 | C26 | C27 | H271 | 66.3° | 65.6° |
| H261 | C26 | C27 | C28 | 52.2° | 54.0° |
| H261 | C26 | C27 | O11 | 69.8° | 66.0° |
| H261 | C26 | C27 | H271 | 172.1° | 174.0° |
| C28 | C27 | O11 | H271 | 119.9° | 120.0° |
| C27 | C28 | C29 | H281 | 125.3° | 120.0° |
| C27 | C28 | C29 | H282 | 125.3° | 120.0° |
| C27 | C28 | H281 | H282 | 116.0° | 120.1° |
| C27 | C28 | C29 | C30 | 175.8° | 180.0° |
| C27 | C28 | C29 | C40 | 64.5° | 60.0° |
| C27 | C28 | C29 | H291 | 55.1° | 60.0° |
| C28 | C27 | O11 | HO11 | 57.2° | 64.9° |
| O11 | C27 | C28 | C29 | 57.1° | 60.0° |
| O11 | C27 | C28 | H281 | 68.1° | 180.0° |
| O11 | C27 | C28 | H282 | 177.6° | 59.9° |
| H271 | C27 | C28 | C29 | 61.2° | 60.0° |
| H271 | C27 | C28 | H281 | 173.6° | 60.0° |
| H271 | C27 | C28 | H282 | 64.1° | 180.0° |
| H271 | C27 | O11 | HO11 | 62.8° | 175.2° |
| C29 | C28 | H281 | H282 | 116.0° | 120.0° |
| C28 | C29 | C30 | C40 | 120.1° | 120.0° |
| C28 | C29 | C30 | H291 | 120.4° | 120.0° |
| C28 | C29 | C40 | H291 | 120.4° | 120.0° |
| C28 | C29 | C30 | C31 | 59.6° | 57.4° |
| C28 | C29 | C30 | O12 | 178.4° | 177.7° |
| C28 | C29 | C30 | H301 | 56.7° | 62.5° |
| C28 | C29 | C40 | H401 | 180.0° | 54.6° |
| C28 | C29 | C40 | H402 | 54.8° | 65.5° |
| C28 | C29 | C40 | H403 | 54.7° | 174.6° |
| H281 | C28 | C29 | C30 | 50.5° | 60.0° |
| H281 | C28 | C29 | C40 | 170.2° | 60.0° |
| H281 | C28 | C29 | H291 | 70.2° | 180.0° |
| H282 | C28 | C29 | C30 | 59.0° | 60.0° |
| H282 | C28 | C29 | C40 | 60.8° | 180.0° |
| H282 | C28 | C29 | H291 | 179.7° | 59.9° |
| C30 | C29 | C40 | H291 | 120.7° | 120.0° |
| C29 | C30 | C31 | O12 | 119.8° | 120.1° |
| C29 | C30 | C31 | H301 | 118.7° | 119.9° |
| C29 | C30 | O12 | H301 | 119.0° | 119.9° |
| C29 | C30 | C31 | C32 | 177.0° | 178.8° |
| C29 | C30 | C31 | C39 | 55.2° | 61.3° |
| C29 | C30 | C31 | H311 | 61.1° | 58.8° |
| C29 | C30 | O12 | C34 | 177.3° | 172.3° |
| C30 | C29 | C40 | H401 | 61.1° | 65.4° |
| C30 | C29 | C40 | H402 | 64.1° | 174.5° |
| C30 | C29 | C40 | H403 | 173.6° | 54.5° |
| C40 | C29 | C30 | C31 | 179.7° | 177.4° |
| C40 | C29 | C30 | O12 | 58.3° | 62.3° |
| C40 | C29 | C30 | H301 | 63.5° | 57.5° |
| C29 | C40 | H401 | H402 | 125.2° | 120.1° |
| C29 | C40 | H401 | H403 | 125.3° | 120.0° |
| C29 | C40 | H402 | H403 | 117.9° | 120.0° |
| H291 | C29 | C30 | C31 | 60.8° | 62.6° |
| H291 | C29 | C30 | O12 | 61.3° | 57.7° |
| H291 | C29 | C30 | H301 | 177.0° | 177.5° |
| H291 | C29 | C40 | H401 | 59.6° | 174.6° |
| H291 | C29 | C40 | H402 | 175.2° | 54.5° |
| H291 | C29 | C40 | H403 | 65.7° | 65.4° |
| C31 | C30 | O12 | H301 | 116.3° | 120.0° |
| C30 | C31 | C32 | C39 | 125.2° | 119.9° |
| C30 | C31 | C32 | H311 | 118.3° | 119.9° |
| C30 | C31 | C39 | H311 | 117.9° | 120.1° |
| C30 | C31 | C32 | C33 | 55.5° | 53.7° |
| C30 | C31 | C32 | H321 | 179.2° | 173.5° |
| C30 | C31 | C32 | H322 | 69.7° | 66.1° |
| C31 | C30 | O12 | C34 | 58.1° | 67.6° |
| C30 | C31 | C39 | H391 | 180.0° | 176.6° |
| C30 | C31 | C39 | H392 | 54.8° | 63.5° |
| C30 | C31 | C39 | H393 | 54.7° | 56.5° |
| O12 | C30 | C31 | C32 | 57.2° | 61.1° |
| O12 | C30 | C31 | C39 | 64.6° | 58.9° |
| O12 | C30 | C31 | H311 | 179.1° | 179.0° |
| C30 | O12 | C34 | C33 | 51.6° | 67.8° |
| C30 | O12 | C34 | C35 | 178.3° | 172.5° |
| C30 | O12 | C34 | O13 | 63.4° | 52.2° |
| H301 | C30 | C31 | C32 | 64.3° | 58.9° |
| H301 | C30 | C31 | C39 | 173.8° | 178.8° |
| H301 | C30 | C31 | H311 | 57.6° | 61.1° |
| H301 | C30 | O12 | C34 | 58.3° | 52.4° |
| C32 | C31 | C39 | H311 | 121.8° | 120.2° |
| C31 | C32 | C33 | H321 | 125.3° | 119.8° |
| C31 | C32 | C33 | H322 | 125.3° | 119.7° |
| C31 | C32 | H321 | H322 | 117.1° | 120.4° |
| C31 | C32 | C33 | C34 | 51.4° | 53.8° |
| C31 | C32 | C33 | H331 | 73.9° | 66.0° |
| C31 | C32 | C33 | H332 | 176.7° | 173.7° |
| C32 | C31 | C39 | H391 | 59.7° | 63.7° |
| C32 | C31 | C39 | H392 | 65.5° | 56.2° |
| C32 | C31 | C39 | H393 | 175.0° | 176.2° |
| C39 | C31 | C32 | C33 | 69.7° | 66.2° |
| C39 | C31 | C32 | H321 | 55.6° | 53.6° |
| C39 | C31 | C32 | H322 | 165.1° | 174.0° |
| C31 | C39 | H391 | H392 | 125.2° | 119.9° |
| C31 | C39 | H391 | H393 | 125.2° | 120.0° |
| C31 | C39 | H392 | H393 | 116.0° | 119.9° |
| H311 | C31 | C32 | C33 | 173.8° | 173.6° |
| H311 | C31 | C32 | H321 | 60.9° | 66.6° |
| H311 | C31 | C32 | H322 | 48.6° | 53.9° |
| H311 | C31 | C39 | H391 | 62.1° | 56.5° |
| H311 | C31 | C39 | H392 | 172.7° | 176.4° |
| H311 | C31 | C39 | H393 | 63.2° | 63.6° |
| C33 | C32 | H321 | H322 | 117.0° | 120.4° |
| C32 | C33 | C34 | H331 | 125.3° | 119.8° |
| C32 | C33 | C34 | H332 | 125.2° | 119.8° |
| C32 | C33 | H331 | H332 | 117.0° | 120.2° |
| C32 | C33 | C34 | C35 | 167.3° | 178.7° |
| C32 | C33 | C34 | O12 | 46.3° | 61.5° |
| C32 | C33 | C34 | O13 | 72.7° | 58.7° |
| H321 | C32 | C33 | C34 | 176.7° | 173.6° |
| H321 | C32 | C33 | H331 | 51.4° | 53.8° |
| H321 | C32 | C33 | H332 | 58.0° | 66.5° |
| H322 | C32 | C33 | C34 | 73.9° | 65.9° |
| H322 | C32 | C33 | H331 | 160.8° | 174.2° |
| H322 | C32 | C33 | H332 | 51.4° | 54.0° |
| C34 | C33 | H331 | H332 | 117.1° | 120.3° |
| C33 | C34 | C35 | O12 | 124.5° | 120.0° |
| C33 | C34 | C35 | O13 | 116.7° | 119.8° |
| C33 | C34 | O12 | O13 | 115.1° | 120.0° |
| C33 | C34 | C35 | C36 | 164.8° | 178.7° |
| C33 | C34 | C35 | H351 | 69.9° | 58.8° |
| C33 | C34 | C35 | H352 | 39.6° | 61.5° |
| C33 | C34 | O13 | C38 | 178.9° | 172.4° |
| H331 | C33 | C34 | C35 | 42.0° | 61.5° |
| H331 | C33 | C34 | O12 | 79.0° | 58.3° |
| H331 | C33 | C34 | O13 | 162.0° | 178.5° |
| H332 | C33 | C34 | C35 | 67.5° | 58.9° |
| H332 | C33 | C34 | O12 | 171.5° | 178.7° |
| H332 | C33 | C34 | O13 | 52.5° | 61.2° |
| C35 | C34 | O12 | O13 | 118.3° | 120.3° |
| C34 | C35 | C36 | H351 | 125.3° | 119.9° |
| C34 | C35 | C36 | H352 | 125.3° | 119.9° |
| C34 | C35 | H351 | H352 | 117.1° | 120.3° |
| C34 | C35 | C36 | C37 | 48.0° | 53.8° |
| C34 | C35 | C36 | H361 | 77.2° | 65.9° |
| C34 | C35 | C36 | H362 | 173.2° | 173.5° |
| C35 | C34 | O13 | C38 | 54.9° | 67.8° |
| O12 | C34 | C35 | C36 | 70.7° | 58.7° |
| O12 | C34 | C35 | H351 | 54.6° | 61.1° |
| O12 | C34 | C35 | H352 | 164.1° | 178.6° |
| O12 | C34 | O13 | C38 | 60.8° | 52.3° |
| O13 | C34 | C35 | C36 | 48.1° | 61.5° |
| O13 | C34 | C35 | H351 | 173.4° | 178.7° |
| O13 | C34 | C35 | H352 | 77.2° | 58.4° |
| C34 | O13 | C38 | C37 | 56.2° | 67.7° |
| C34 | O13 | C38 | H381 | 69.1° | 52.4° |
| C34 | O13 | C38 | H382 | 178.5° | 172.2° |
| C36 | C35 | H351 | H352 | 117.0° | 120.2° |
| C35 | C36 | C37 | H361 | 125.3° | 119.8° |
| C35 | C36 | C37 | H362 | 125.2° | 119.7° |
| C35 | C36 | H361 | H362 | 115.8° | 120.4° |
| C35 | C36 | C37 | C38 | 47.2° | 53.7° |
| C35 | C36 | C37 | H371 | 172.5° | 173.5° |
| C35 | C36 | C37 | H372 | 78.1° | 66.2° |
| H351 | C35 | C36 | C37 | 173.3° | 173.7° |
| H351 | C35 | C36 | H361 | 48.1° | 54.0° |
| H351 | C35 | C36 | H362 | 61.5° | 66.6° |
| H352 | C35 | C36 | C37 | 77.3° | 66.0° |
| H352 | C35 | C36 | H361 | 157.5° | 174.2° |
| H352 | C35 | C36 | H362 | 47.9° | 53.7° |
| C37 | C36 | H361 | H362 | 115.7° | 120.4° |
| C36 | C37 | C38 | H371 | 125.3° | 119.9° |
| C36 | C37 | C38 | H372 | 125.3° | 119.8° |
| C36 | C37 | H371 | H372 | 117.9° | 120.3° |
| C36 | C37 | C38 | O13 | 48.9° | 61.2° |
| C36 | C37 | C38 | H381 | 76.4° | 58.9° |
| C36 | C37 | C38 | H382 | 174.1° | 178.8° |
| H361 | C36 | C37 | C38 | 78.1° | 66.1° |
| H361 | C36 | C37 | H371 | 47.2° | 53.7° |
| H361 | C36 | C37 | H372 | 156.6° | 174.1° |
| H362 | C36 | C37 | C38 | 172.5° | 173.4° |
| H362 | C36 | C37 | H371 | 62.2° | 66.8° |
| H362 | C36 | C37 | H372 | 47.2° | 53.6° |
| C38 | C37 | H371 | H372 | 117.8° | 120.2° |
| C37 | C38 | O13 | H381 | 125.3° | 120.1° |
| C37 | C38 | O13 | H382 | 125.2° | 120.1° |
| C37 | C38 | H381 | H382 | 117.3° | 119.8° |
| H371 | C37 | C38 | O13 | 174.2° | 178.9° |
| H371 | C37 | C38 | H381 | 48.9° | 60.9° |
| H371 | C37 | C38 | H382 | 60.6° | 58.9° |
| H372 | C37 | C38 | O13 | 76.4° | 58.7° |
| H372 | C37 | C38 | H381 | 158.3° | 178.8° |
| H372 | C37 | C38 | H382 | 48.8° | 61.4° |
| O13 | C38 | H381 | H382 | 117.2° | 119.8° |
| H391 | C39 | H392 | H393 | 116.1° | 120.1° |
| H401 | C40 | H402 | H403 | 117.9° | 120.0° |
| H421 | C42 | H422 | H423 | 116.7° | 120.0° |
| H431 | C43 | H432 | H433 | 112.7° | 120.0° |
| H441 | C44 | H442 | H443 | 120.3° | 120.0° |
