RPX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.34Å | 1.44Å | |
| C1 | O2 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| O1 | C34 | sing | 1.45Å | 1.40Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | N7 | sing | 1.47Å | 1.47Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H31A | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | H41A | sing | 1.09Å | 1.12Å | |
| C4 | H42A | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | N7 | sing | 1.48Å | 1.46Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| N7 | C8 | sing | 1.35Å | 1.34Å | |
| C8 | O3 | doub | 1.21Å | 1.23Å | |
| C8 | C9 | sing | 1.49Å | 1.40Å | |
| C9 | O4 | doub | 1.21Å | 1.24Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | O5 | sing | 1.42Å | 1.41Å | |
| C10 | O6 | sing | 1.43Å | 1.44Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| O5 | C14 | sing | 1.43Å | 1.39Å | |
| O6 | HO6 | sing | 0.97Å | 0.96Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C43 | sing | 1.53Å | 1.53Å | |
| C11 | H11 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | O7 | sing | 1.43Å | 1.38Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C16 | H16 | sing | 1.09Å | 1.11Å | |
| O7 | C50 | sing | 1.43Å | 1.39Å | |
| C17 | C18 | doub | 1.33Å | 1.32Å | |
| C17 | C44 | sing | 1.51Å | 1.54Å | |
| C18 | C19 | sing | 1.46Å | 1.46Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | doub | 1.35Å | 1.32Å | |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.46Å | 1.46Å | |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.33Å | 1.31Å | |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C45 | sing | 1.53Å | 1.52Å | |
| C23 | H23 | sing | 1.09Å | 1.12Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C25 | C46 | sing | 1.53Å | 1.52Å | |
| C25 | H25 | sing | 1.09Å | 1.11Å | |
| C26 | O8 | doub | 1.21Å | 1.22Å | |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| C27 | O9 | sing | 1.43Å | 1.39Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C27 | H27 | sing | 1.09Å | 1.11Å | |
| O9 | C51 | sing | 1.43Å | 1.38Å | |
| C28 | O10 | sing | 1.43Å | 1.43Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | H28 | sing | 1.09Å | 1.11Å | |
| O10 | HO1 | sing | 0.97Å | 0.97Å | |
| C29 | C30 | sing | 1.53Å | 1.33Å | |
| C29 | C47 | sing | 1.53Å | 1.51Å | |
| C29 | H29 | sing | 1.09Å | 1.11Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C31 | C48 | sing | 1.53Å | 1.52Å | |
| C31 | H31 | sing | 1.09Å | 1.12Å | |
| C32 | O11 | doub | 1.21Å | 1.23Å | |
| C32 | C33 | sing | 1.51Å | 1.52Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | H331 | sing | 1.09Å | 1.12Å | |
| C33 | H332 | sing | 1.09Å | 1.11Å | |
| C34 | C35 | sing | 1.53Å | 1.55Å | |
| C34 | H34 | sing | 1.09Å | 1.12Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | C49 | sing | 1.53Å | 1.52Å | |
| C35 | H35 | sing | 1.09Å | 1.12Å | |
| C36 | C37 | sing | 1.51Å | 1.53Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C37 | C38 | doub | 1.38Å | 1.53Å | Aromatic |
| C37 | C42 | sing | 1.38Å | 1.53Å | Aromatic |
| C38 | C39 | sing | 1.39Å | 1.54Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| C39 | O12 | sing | 1.36Å | 1.39Å | |
| C39 | C40 | doub | 1.39Å | 1.56Å | Aromatic |
| O12 | C52 | sing | 1.43Å | 1.40Å | |
| C40 | O13 | sing | 1.36Å | 1.43Å | |
| C40 | C41 | sing | 1.39Å | 1.53Å | Aromatic |
| O13 | HO3 | sing | 0.97Å | 0.97Å | |
| C41 | C42 | doub | 1.38Å | 1.51Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.10Å | |
| C42 | H42 | sing | 1.08Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.11Å | |
| C43 | H432 | sing | 1.09Å | 1.11Å | |
| C43 | H433 | sing | 1.09Å | 1.12Å | |
| C44 | H441 | sing | 1.09Å | 1.12Å | |
| C44 | H442 | sing | 1.09Å | 1.12Å | |
| C44 | H443 | sing | 1.09Å | 1.11Å | |
| C45 | H451 | sing | 1.09Å | 1.12Å | |
| C45 | H452 | sing | 1.09Å | 1.11Å | |
| C45 | H453 | sing | 1.09Å | 1.11Å | |
| C46 | H461 | sing | 1.09Å | 1.12Å | |
| C46 | H462 | sing | 1.09Å | 1.11Å | |
| C46 | H463 | sing | 1.09Å | 1.12Å | |
| C47 | H471 | sing | 1.09Å | 1.11Å | |
| C47 | H472 | sing | 1.09Å | 1.11Å | |
| C47 | H473 | sing | 1.09Å | 1.12Å | |
| C48 | H481 | sing | 1.09Å | 1.11Å | |
| C48 | H482 | sing | 1.09Å | 1.12Å | |
| C48 | H483 | sing | 1.09Å | 1.12Å | |
| C49 | H491 | sing | 1.09Å | 1.11Å | |
| C49 | H492 | sing | 1.09Å | 1.12Å | |
| C49 | H493 | sing | 1.09Å | 1.12Å | |
| C50 | C53 | sing | 1.53Å | 1.50Å | |
| C50 | H501 | sing | 1.09Å | 1.11Å | |
| C50 | H502 | sing | 1.09Å | 1.11Å | |
| C51 | H511 | sing | 1.09Å | 1.12Å | |
| C51 | H512 | sing | 1.09Å | 1.12Å | |
| C51 | H513 | sing | 1.09Å | 1.11Å | |
| C52 | H521 | sing | 1.09Å | 1.11Å | |
| C52 | H522 | sing | 1.09Å | 1.12Å | |
| C52 | H523 | sing | 1.09Å | 1.11Å | |
| C53 | H531 | sing | 1.09Å | 1.11Å | |
| C53 | H532 | sing | 1.09Å | 1.12Å | |
| C53 | H533 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 117.5° | 120.3° |
| O1 | C1 | C2 | 122.5° | 119.3° |
| C1 | O1 | C34 | 124.6° | 120.9° |
| O2 | C1 | C2 | 120.0° | 120.4° |
| C1 | C2 | C3 | 112.0° | 110.0° |
| C1 | C2 | N7 | 114.5° | 110.5° |
| C1 | C2 | H2 | 102.5° | 109.3° |
| O1 | C34 | C33 | 109.8° | 109.4° |
| O1 | C34 | C35 | 107.3° | 109.5° |
| O1 | C34 | H34 | 111.0° | 109.4° |
| C3 | C2 | N7 | 103.8° | 108.6° |
| C3 | C2 | H2 | 113.5° | 109.2° |
| C2 | C3 | C4 | 114.8° | 109.1° |
| C2 | C3 | H31A | 110.3° | 109.5° |
| C2 | C3 | H32 | 110.3° | 109.6° |
| N7 | C2 | H2 | 110.9° | 109.3° |
| C2 | N7 | C6 | 119.0° | 118.3° |
| C2 | N7 | C8 | 118.7° | 122.0° |
| C4 | C3 | H31A | 110.2° | 109.5° |
| C4 | C3 | H32 | 110.3° | 109.5° |
| C3 | C4 | C5 | 110.4° | 109.8° |
| C3 | C4 | H41A | 111.9° | 109.4° |
| C3 | C4 | H42A | 111.9° | 109.4° |
| H31A | C3 | H32 | 100.0° | 109.6° |
| C5 | C4 | H41A | 111.9° | 109.5° |
| C5 | C4 | H42A | 111.9° | 109.4° |
| C4 | C5 | C6 | 110.3° | 109.4° |
| C4 | C5 | H51 | 111.9° | 109.5° |
| C4 | C5 | H52 | 111.9° | 109.5° |
| H41A | C4 | H42A | 98.4° | 109.3° |
| C6 | C5 | H51 | 111.9° | 109.4° |
| C6 | C5 | H52 | 112.0° | 109.5° |
| C5 | C6 | N7 | 106.2° | 107.6° |
| C5 | C6 | H61 | 113.4° | 109.8° |
| C5 | C6 | H62 | 113.4° | 109.9° |
| H51 | C5 | H52 | 98.5° | 109.5° |
| N7 | C6 | H61 | 113.4° | 109.8° |
| N7 | C6 | H62 | 113.5° | 109.8° |
| C6 | N7 | C8 | 120.5° | 119.7° |
| H61 | C6 | H62 | 97.0° | 109.9° |
| N7 | C8 | O3 | 121.4° | 120.4° |
| N7 | C8 | C9 | 124.1° | 119.1° |
| O3 | C8 | C9 | 114.5° | 120.4° |
| C8 | C9 | O4 | 118.8° | 119.5° |
| C8 | C9 | C10 | 120.7° | 121.1° |
| O4 | C9 | C10 | 120.5° | 119.4° |
| C9 | C10 | O5 | 104.8° | 109.8° |
| C9 | C10 | O6 | 111.2° | 109.6° |
| C9 | C10 | C11 | 110.2° | 108.8° |
| O5 | C10 | O6 | 111.7° | 109.7° |
| O5 | C10 | C11 | 109.3° | 109.8° |
| C10 | O5 | C14 | 114.5° | 107.9° |
| O6 | C10 | C11 | 109.6° | 109.1° |
| C10 | O6 | HO6 | 110.9° | 106.7° |
| C10 | C11 | C12 | 110.0° | 109.0° |
| C10 | C11 | C43 | 110.6° | 109.6° |
| C10 | C11 | H11 | 108.4° | 109.5° |
| O5 | C14 | C13 | 110.6° | 109.7° |
| O5 | C14 | C15 | 105.1° | 109.2° |
| O5 | C14 | H14 | 111.9° | 109.8° |
| C12 | C11 | C43 | 109.5° | 109.6° |
| C12 | C11 | H11 | 109.5° | 109.5° |
| C11 | C12 | C13 | 114.5° | 108.2° |
| C11 | C12 | H121 | 110.4° | 109.8° |
| C11 | C12 | H122 | 110.4° | 109.7° |
| C43 | C11 | H11 | 108.9° | 109.6° |
| C11 | C43 | H431 | 110.5° | 109.4° |
| C11 | C43 | H432 | 111.8° | 109.5° |
| C11 | C43 | H433 | 111.8° | 109.4° |
| C13 | C12 | H121 | 110.4° | 109.7° |
| C13 | C12 | H122 | 110.4° | 109.7° |
| C12 | C13 | C14 | 114.2° | 108.6° |
| C12 | C13 | H131 | 110.5° | 109.6° |
| C12 | C13 | H132 | 110.5° | 109.7° |
| H121 | C12 | H122 | 99.9° | 109.8° |
| C14 | C13 | H131 | 110.5° | 109.6° |
| C14 | C13 | H132 | 110.4° | 109.6° |
| C13 | C14 | C15 | 110.4° | 109.1° |
| C13 | C14 | H14 | 106.8° | 109.3° |
| H131 | C13 | H132 | 99.8° | 109.7° |
| C15 | C14 | H14 | 112.1° | 109.6° |
| C14 | C15 | C16 | 116.7° | 110.1° |
| C14 | C15 | H151 | 109.6° | 109.4° |
| C14 | C15 | H152 | 109.6° | 109.4° |
| C16 | C15 | H151 | 109.6° | 109.3° |
| C16 | C15 | H152 | 109.6° | 109.3° |
| C15 | C16 | O7 | 110.8° | 109.6° |
| C15 | C16 | C17 | 107.8° | 108.8° |
| C15 | C16 | H16 | 109.2° | 109.6° |
| H151 | C15 | H152 | 100.5° | 109.3° |
| O7 | C16 | C17 | 107.9° | 109.6° |
| O7 | C16 | H16 | 109.1° | 109.6° |
| C16 | O7 | C50 | 120.5° | 106.7° |
| C17 | C16 | H16 | 112.0° | 109.6° |
| C16 | C17 | C18 | 120.8° | 121.7° |
| C16 | C17 | C44 | 112.8° | 118.9° |
| O7 | C50 | C53 | 99.5° | 109.4° |
| O7 | C50 | H501 | 116.0° | 109.5° |
| O7 | C50 | H502 | 116.0° | 109.5° |
| C18 | C17 | C44 | 126.3° | 119.4° |
| C17 | C18 | C19 | 125.5° | 121.9° |
| C17 | C18 | H18 | 111.8° | 119.3° |
| C17 | C44 | H441 | 112.8° | 109.4° |
| C17 | C44 | H442 | 111.0° | 109.4° |
| C17 | C44 | H443 | 111.0° | 109.5° |
| C19 | C18 | H18 | 122.7° | 118.9° |
| C18 | C19 | C20 | 119.7° | 119.0° |
| C18 | C19 | H19 | 125.1° | 120.5° |
| C20 | C19 | H19 | 115.2° | 120.4° |
| C19 | C20 | C21 | 121.2° | 121.0° |
| C19 | C20 | H20 | 114.5° | 119.2° |
| C21 | C20 | H20 | 124.4° | 119.7° |
| C20 | C21 | C22 | 121.9° | 119.6° |
| C20 | C21 | H21 | 124.5° | 120.3° |
| C22 | C21 | H21 | 113.6° | 120.2° |
| C21 | C22 | C23 | 121.7° | 120.2° |
| C21 | C22 | H22 | 112.1° | 119.8° |
| C23 | C22 | H22 | 126.2° | 120.0° |
| C22 | C23 | C24 | 110.9° | 109.6° |
| C22 | C23 | C45 | 108.2° | 109.4° |
| C22 | C23 | H23 | 109.8° | 109.4° |
| C24 | C23 | C45 | 110.6° | 109.5° |
| C24 | C23 | H23 | 107.2° | 109.5° |
| C23 | C24 | C25 | 116.5° | 109.4° |
| C23 | C24 | H241 | 109.7° | 109.5° |
| C23 | C24 | H242 | 109.7° | 109.5° |
| C45 | C23 | H23 | 110.1° | 109.4° |
| C23 | C45 | H451 | 108.2° | 109.4° |
| C23 | C45 | H452 | 112.7° | 109.5° |
| C23 | C45 | H453 | 112.7° | 109.5° |
| C25 | C24 | H241 | 109.7° | 109.5° |
| C25 | C24 | H242 | 109.7° | 109.5° |
| C24 | C25 | C26 | 109.5° | 109.6° |
| C24 | C25 | C46 | 110.7° | 109.4° |
| C24 | C25 | H25 | 108.9° | 109.4° |
| H241 | C24 | H242 | 100.5° | 109.5° |
| C26 | C25 | C46 | 110.3° | 109.4° |
| C26 | C25 | H25 | 109.4° | 109.5° |
| C25 | C26 | O8 | 120.5° | 120.0° |
| C25 | C26 | C27 | 118.8° | 120.0° |
| C46 | C25 | H25 | 108.1° | 109.4° |
| C25 | C46 | H461 | 110.7° | 109.5° |
| C25 | C46 | H462 | 111.8° | 109.5° |
| C25 | C46 | H463 | 111.8° | 109.5° |
| O8 | C26 | C27 | 120.7° | 120.0° |
| C26 | C27 | O9 | 104.7° | 109.4° |
| C26 | C27 | C28 | 110.7° | 109.6° |
| C26 | C27 | H27 | 111.7° | 109.5° |
| O9 | C27 | C28 | 109.3° | 109.5° |
| O9 | C27 | H27 | 113.1° | 109.4° |
| C27 | O9 | C51 | 116.5° | 106.8° |
| C28 | C27 | H27 | 107.3° | 109.5° |
| C27 | C28 | O10 | 109.8° | 109.5° |
| C27 | C28 | C29 | 115.1° | 109.4° |
| C27 | C28 | H28 | 104.6° | 109.5° |
| O9 | C51 | H511 | 116.5° | 109.5° |
| O9 | C51 | H512 | 109.7° | 109.5° |
| O9 | C51 | H513 | 109.7° | 109.5° |
| O10 | C28 | C29 | 107.2° | 109.5° |
| O10 | C28 | H28 | 112.9° | 109.4° |
| C28 | O10 | HO1 | 109.4° | 106.8° |
| C29 | C28 | H28 | 107.4° | 109.5° |
| C28 | C29 | C30 | 125.3° | 109.5° |
| C28 | C29 | C47 | 110.3° | 109.4° |
| C28 | C29 | H29 | 121.3° | 109.5° |
| C30 | C29 | C47 | 124.3° | 109.4° |
| C30 | C29 | H29 | 6.8° | 109.4° |
| C29 | C30 | C31 | 123.6° | 109.4° |
| C29 | C30 | H301 | 107.2° | 109.5° |
| C29 | C30 | H302 | 107.2° | 109.5° |
| C47 | C29 | H29 | 128.1° | 109.5° |
| C29 | C47 | H471 | 110.3° | 109.5° |
| C29 | C47 | H472 | 111.8° | 109.5° |
| C29 | C47 | H473 | 111.8° | 109.5° |
| C31 | C30 | H301 | 107.2° | 109.5° |
| C31 | C30 | H302 | 107.2° | 109.5° |
| C30 | C31 | C32 | 109.3° | 109.4° |
| C30 | C31 | C48 | 109.0° | 109.5° |
| C30 | C31 | H31 | 110.3° | 109.5° |
| H301 | C30 | H302 | 102.4° | 109.5° |
| C32 | C31 | C48 | 110.6° | 109.5° |
| C32 | C31 | H31 | 108.7° | 109.5° |
| C31 | C32 | O11 | 120.9° | 120.0° |
| C31 | C32 | C33 | 118.8° | 120.0° |
| C48 | C31 | H31 | 108.9° | 109.5° |
| C31 | C48 | H481 | 109.0° | 109.5° |
| C31 | C48 | H482 | 112.4° | 109.5° |
| C31 | C48 | H483 | 112.4° | 109.5° |
| O11 | C32 | C33 | 120.2° | 120.0° |
| C32 | C33 | C34 | 112.6° | 109.7° |
| C32 | C33 | H331 | 111.0° | 109.4° |
| C32 | C33 | H332 | 111.0° | 109.5° |
| C34 | C33 | H331 | 111.0° | 109.4° |
| C34 | C33 | H332 | 111.1° | 109.4° |
| C33 | C34 | C35 | 110.6° | 109.5° |
| C33 | C34 | H34 | 107.8° | 109.5° |
| H331 | C33 | H332 | 99.3° | 109.4° |
| C35 | C34 | H34 | 110.3° | 109.5° |
| C34 | C35 | C36 | 110.1° | 109.5° |
| C34 | C35 | C49 | 110.6° | 109.5° |
| C34 | C35 | H35 | 108.4° | 109.5° |
| C36 | C35 | C49 | 109.8° | 109.5° |
| C36 | C35 | H35 | 109.1° | 109.5° |
| C35 | C36 | C37 | 117.8° | 109.5° |
| C35 | C36 | H361 | 109.2° | 109.5° |
| C35 | C36 | H362 | 109.2° | 109.5° |
| C49 | C35 | H35 | 108.8° | 109.5° |
| C35 | C49 | H491 | 110.5° | 109.5° |
| C35 | C49 | H492 | 111.8° | 109.5° |
| C35 | C49 | H493 | 111.7° | 109.5° |
| C37 | C36 | H361 | 109.2° | 109.4° |
| C37 | C36 | H362 | 109.2° | 109.5° |
| C36 | C37 | C38 | 108.2° | 119.9° |
| C36 | C37 | C42 | 111.4° | 120.0° |
| H361 | C36 | H362 | 101.0° | 109.5° |
| C38 | C37 | C42 | 109.6° | 120.1° |
| C37 | C38 | C39 | 120.1° | 120.0° |
| C37 | C38 | H38 | 119.8° | 120.0° |
| C37 | C42 | C41 | 113.2° | 120.2° |
| C37 | C42 | H42 | 123.8° | 119.9° |
| C39 | C38 | H38 | 120.1° | 120.0° |
| C38 | C39 | O12 | 105.5° | 120.1° |
| C38 | C39 | C40 | 111.9° | 119.9° |
| O12 | C39 | C40 | 108.2° | 120.1° |
| C39 | O12 | C52 | 118.3° | 106.8° |
| C39 | C40 | O13 | 110.0° | 120.1° |
| C39 | C40 | C41 | 111.7° | 119.8° |
| O12 | C52 | H521 | 118.3° | 109.5° |
| O12 | C52 | H522 | 109.0° | 109.4° |
| O12 | C52 | H523 | 109.0° | 109.5° |
| O13 | C40 | C41 | 107.6° | 120.1° |
| C40 | O13 | HO3 | 109.0° | 106.8° |
| C40 | C41 | C42 | 114.2° | 120.0° |
| C40 | C41 | H41 | 123.4° | 120.0° |
| C42 | C41 | H41 | 122.4° | 120.0° |
| C41 | C42 | H42 | 123.0° | 119.9° |
| H431 | C43 | H432 | 111.9° | 109.5° |
| H431 | C43 | H433 | 111.8° | 109.5° |
| H432 | C43 | H433 | 98.6° | 109.5° |
| H441 | C44 | H442 | 110.9° | 109.4° |
| H441 | C44 | H443 | 110.9° | 109.5° |
| H442 | C44 | H443 | 99.4° | 109.6° |
| H451 | C45 | H452 | 112.7° | 109.5° |
| H451 | C45 | H453 | 112.7° | 109.5° |
| H452 | C45 | H453 | 97.8° | 109.5° |
| H461 | C46 | H462 | 111.7° | 109.5° |
| H461 | C46 | H463 | 111.7° | 109.5° |
| H462 | C46 | H463 | 98.6° | 109.5° |
| H471 | C47 | H472 | 111.9° | 109.5° |
| H471 | C47 | H473 | 111.9° | 109.5° |
| H472 | C47 | H473 | 98.6° | 109.4° |
| H481 | C48 | H482 | 112.4° | 109.4° |
| H481 | C48 | H483 | 112.4° | 109.4° |
| H482 | C48 | H483 | 98.0° | 109.5° |
| H491 | C49 | H492 | 111.8° | 109.5° |
| H491 | C49 | H493 | 111.9° | 109.4° |
| H492 | C49 | H493 | 98.6° | 109.5° |
| C53 | C50 | H501 | 116.1° | 109.5° |
| C53 | C50 | H502 | 116.0° | 109.5° |
| C50 | C53 | H531 | 99.5° | 109.5° |
| C50 | C53 | H532 | 116.0° | 109.5° |
| C50 | C53 | H533 | 116.0° | 109.4° |
| H501 | C50 | H502 | 94.4° | 109.5° |
| H511 | C51 | H512 | 109.6° | 109.5° |
| H511 | C51 | H513 | 109.7° | 109.5° |
| H512 | C51 | H513 | 100.5° | 109.4° |
| H521 | C52 | H522 | 109.0° | 109.5° |
| H521 | C52 | H523 | 109.1° | 109.5° |
| H522 | C52 | H523 | 101.0° | 109.5° |
| H531 | C53 | H532 | 116.0° | 109.5° |
| H531 | C53 | H533 | 116.1° | 109.4° |
| H532 | C53 | H533 | 94.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 178.1° | 180.0° |
| O1 | C1 | C2 | C3 | 131.8° | 91.9° |
| O1 | C1 | C2 | N7 | 14.0° | 148.2° |
| O1 | C1 | C2 | H2 | 106.2° | 28.0° |
| C1 | O1 | C34 | C33 | 138.7° | 175.9° |
| C1 | O1 | C34 | C35 | 101.1° | 64.1° |
| C1 | O1 | C34 | H34 | 19.6° | 55.9° |
| O2 | C1 | O1 | C34 | 1.1° | 0.7° |
| O2 | C1 | C2 | C3 | 50.1° | 88.1° |
| O2 | C1 | C2 | N7 | 167.9° | 31.8° |
| O2 | C1 | C2 | H2 | 71.9° | 152.1° |
| C2 | C1 | O1 | C34 | 179.2° | 179.3° |
| C1 | C2 | C3 | N7 | 124.1° | 121.0° |
| C1 | C2 | C3 | H2 | 115.5° | 119.9° |
| C1 | C2 | N7 | H2 | 115.4° | 120.3° |
| C1 | C2 | C3 | C4 | 73.1° | 175.9° |
| C1 | C2 | C3 | H31A | 52.1° | 64.2° |
| C1 | C2 | C3 | H32 | 161.6° | 56.0° |
| C1 | C2 | N7 | C6 | 64.0° | 176.4° |
| C1 | C2 | N7 | C8 | 101.0° | 3.0° |
| O1 | C34 | C33 | C32 | 79.5° | 148.3° |
| O1 | C34 | C33 | C35 | 118.2° | 120.0° |
| O1 | C34 | C33 | H34 | 121.1° | 119.9° |
| O1 | C34 | C33 | H331 | 155.2° | 28.3° |
| O1 | C34 | C33 | H332 | 45.7° | 91.6° |
| O1 | C34 | C35 | H34 | 121.1° | 120.0° |
| O1 | C34 | C35 | C36 | 167.5° | 177.9° |
| O1 | C34 | C35 | C49 | 70.9° | 57.9° |
| O1 | C34 | C35 | H35 | 48.2° | 62.1° |
| C3 | C2 | N7 | H2 | 122.2° | 119.0° |
| C2 | C3 | C4 | H31A | 125.3° | 119.9° |
| C2 | C3 | C4 | H32 | 125.3° | 119.9° |
| C2 | C3 | H31A | H32 | 116.2° | 120.2° |
| C2 | C3 | C4 | C5 | 54.3° | 60.7° |
| C2 | C3 | C4 | H41A | 71.1° | 59.5° |
| C2 | C3 | C4 | H42A | 179.6° | 179.2° |
| C3 | C2 | N7 | C6 | 58.4° | 55.7° |
| C3 | C2 | N7 | C8 | 136.6° | 123.7° |
| N7 | C2 | C3 | C4 | 51.0° | 54.9° |
| N7 | C2 | C3 | H31A | 176.2° | 174.7° |
| N7 | C2 | C3 | H32 | 74.3° | 65.0° |
| C2 | N7 | C6 | C5 | 63.6° | 55.9° |
| C2 | N7 | C6 | C8 | 164.7° | 179.5° |
| C2 | N7 | C6 | H61 | 61.6° | 63.6° |
| C2 | N7 | C6 | H62 | 171.1° | 175.4° |
| C2 | N7 | C8 | O3 | 2.2° | 0.2° |
| C2 | N7 | C8 | C9 | 176.2° | 179.8° |
| H2 | C2 | C3 | C4 | 171.4° | 64.2° |
| H2 | C2 | C3 | H31A | 63.3° | 55.7° |
| H2 | C2 | C3 | H32 | 46.1° | 175.9° |
| H2 | C2 | N7 | C6 | 179.4° | 63.3° |
| H2 | C2 | N7 | C8 | 14.4° | 117.3° |
| C4 | C3 | H31A | H32 | 116.1° | 120.2° |
| C3 | C4 | C5 | H41A | 125.3° | 120.1° |
| C3 | C4 | C5 | H42A | 125.3° | 120.1° |
| C3 | C4 | H41A | H42A | 117.8° | 119.8° |
| C3 | C4 | C5 | C6 | 55.9° | 61.6° |
| C3 | C4 | C5 | H51 | 178.8° | 178.4° |
| C3 | C4 | C5 | H52 | 69.4° | 58.4° |
| H31A | C3 | C4 | C5 | 179.5° | 179.4° |
| H31A | C3 | C4 | H41A | 54.2° | 60.4° |
| H31A | C3 | C4 | H42A | 55.2° | 59.3° |
| H32 | C3 | C4 | C5 | 71.1° | 59.2° |
| H32 | C3 | C4 | H41A | 163.6° | 179.4° |
| H32 | C3 | C4 | H42A | 54.2° | 60.9° |
| C5 | C4 | H41A | H42A | 117.8° | 119.8° |
| C4 | C5 | C6 | H51 | 125.2° | 120.0° |
| C4 | C5 | C6 | H52 | 125.3° | 120.0° |
| C4 | C5 | H51 | H52 | 117.8° | 120.1° |
| C4 | C5 | C6 | N7 | 57.6° | 55.8° |
| C4 | C5 | C6 | H61 | 67.6° | 63.7° |
| C4 | C5 | C6 | H62 | 177.1° | 175.3° |
| H41A | C4 | C5 | C6 | 69.4° | 58.5° |
| H41A | C4 | C5 | H51 | 55.9° | 61.4° |
| H41A | C4 | C5 | H52 | 165.3° | 178.5° |
| H42A | C4 | C5 | C6 | 178.8° | 178.3° |
| H42A | C4 | C5 | H51 | 53.5° | 58.3° |
| H42A | C4 | C5 | H52 | 55.9° | 61.7° |
| C6 | C5 | H51 | H52 | 117.9° | 120.0° |
| C5 | C6 | N7 | H61 | 125.3° | 119.5° |
| C5 | C6 | N7 | H62 | 125.3° | 119.5° |
| C5 | C6 | H61 | H62 | 119.3° | 121.0° |
| C5 | C6 | N7 | C8 | 131.7° | 123.6° |
| H51 | C5 | C6 | N7 | 177.1° | 175.8° |
| H51 | C5 | C6 | H61 | 57.6° | 56.3° |
| H51 | C5 | C6 | H62 | 51.8° | 64.7° |
| H52 | C5 | C6 | N7 | 67.6° | 64.2° |
| H52 | C5 | C6 | H61 | 167.1° | 176.3° |
| H52 | C5 | C6 | H62 | 57.7° | 55.3° |
| N7 | C6 | H61 | H62 | 119.4° | 120.9° |
| C6 | N7 | C8 | O3 | 162.6° | 179.2° |
| C6 | N7 | C8 | C9 | 19.1° | 0.8° |
| H61 | C6 | N7 | C8 | 103.0° | 116.9° |
| H62 | C6 | N7 | C8 | 6.4° | 4.1° |
| N7 | C8 | O3 | C9 | 178.5° | 180.0° |
| N7 | C8 | C9 | O4 | 78.1° | 6.6° |
| N7 | C8 | C9 | C10 | 100.1° | 173.5° |
| O3 | C8 | C9 | O4 | 100.3° | 173.4° |
| O3 | C8 | C9 | C10 | 81.4° | 6.5° |
| C8 | C9 | O4 | C10 | 178.3° | 179.9° |
| C8 | C9 | C10 | O5 | 66.1° | 104.5° |
| C8 | C9 | C10 | O6 | 173.1° | 16.0° |
| C8 | C9 | C10 | C11 | 51.4° | 135.3° |
| O4 | C9 | C10 | O5 | 112.2° | 75.4° |
| O4 | C9 | C10 | O6 | 8.7° | 164.0° |
| O4 | C9 | C10 | C11 | 130.4° | 44.8° |
| C9 | C10 | O5 | O6 | 120.5° | 120.5° |
| C9 | C10 | O5 | C11 | 118.1° | 119.6° |
| C9 | C10 | O6 | C11 | 122.1° | 119.1° |
| C9 | C10 | O5 | C14 | 174.0° | 173.3° |
| C9 | C10 | O6 | HO6 | 15.2° | 60.9° |
| C9 | C10 | C11 | C12 | 169.2° | 178.5° |
| C9 | C10 | C11 | C43 | 69.7° | 58.6° |
| C9 | C10 | C11 | H11 | 49.5° | 61.7° |
| O5 | C10 | O6 | C11 | 121.2° | 120.3° |
| O5 | C10 | O6 | HO6 | 131.9° | 59.7° |
| O5 | C10 | C11 | C12 | 54.5° | 61.3° |
| O5 | C10 | C11 | C43 | 175.6° | 178.8° |
| O5 | C10 | C11 | H11 | 65.2° | 58.5° |
| C10 | O5 | C14 | C13 | 61.5° | 67.6° |
| C10 | O5 | C14 | C15 | 179.3° | 172.9° |
| C10 | O5 | C14 | H14 | 57.4° | 52.6° |
| O6 | C10 | O5 | C14 | 53.5° | 52.8° |
| O6 | C10 | C11 | C12 | 68.2° | 58.9° |
| O6 | C10 | C11 | C43 | 52.9° | 61.0° |
| O6 | C10 | C11 | H11 | 172.2° | 178.8° |
| C11 | C10 | O5 | C14 | 67.9° | 67.1° |
| C11 | C10 | O6 | HO6 | 106.8° | 180.0° |
| C10 | C11 | C12 | C43 | 121.7° | 119.9° |
| C10 | C11 | C12 | H11 | 119.0° | 119.8° |
| C10 | C11 | C43 | H11 | 119.0° | 120.2° |
| C10 | C11 | C12 | C13 | 41.2° | 54.7° |
| C10 | C11 | C12 | H121 | 84.0° | 174.3° |
| C10 | C11 | C12 | H122 | 166.4° | 64.9° |
| C10 | C11 | C43 | H431 | 180.0° | 59.5° |
| C10 | C11 | C43 | H432 | 54.7° | 60.5° |
| C10 | C11 | C43 | H433 | 54.7° | 179.5° |
| O5 | C14 | C13 | C12 | 44.0° | 62.0° |
| O5 | C14 | C13 | C15 | 115.9° | 119.6° |
| O5 | C14 | C13 | H14 | 122.0° | 120.5° |
| O5 | C14 | C13 | H131 | 169.3° | 57.8° |
| O5 | C14 | C13 | H132 | 81.2° | 178.2° |
| O5 | C14 | C15 | H14 | 121.8° | 120.4° |
| O5 | C14 | C15 | C16 | 174.3° | 134.4° |
| O5 | C14 | C15 | H151 | 60.5° | 14.2° |
| O5 | C14 | C15 | H152 | 49.0° | 105.4° |
| C12 | C11 | C43 | H11 | 119.7° | 120.2° |
| C11 | C12 | C13 | H121 | 125.2° | 119.7° |
| C11 | C12 | C13 | H122 | 125.2° | 119.6° |
| C11 | C12 | H121 | H122 | 116.2° | 120.7° |
| C11 | C12 | C13 | C14 | 36.7° | 54.9° |
| C11 | C12 | C13 | H131 | 161.9° | 64.8° |
| C11 | C12 | C13 | H132 | 88.6° | 174.6° |
| C12 | C11 | C43 | H431 | 58.7° | 60.0° |
| C12 | C11 | C43 | H432 | 66.6° | 179.9° |
| C12 | C11 | C43 | H433 | 176.1° | 60.0° |
| C43 | C11 | C12 | C13 | 162.9° | 174.6° |
| C43 | C11 | C12 | H121 | 37.7° | 65.8° |
| C43 | C11 | C12 | H122 | 71.9° | 55.0° |
| C11 | C43 | H431 | H432 | 125.3° | 120.0° |
| C11 | C43 | H431 | H433 | 125.2° | 119.9° |
| C11 | C43 | H432 | H433 | 117.7° | 119.9° |
| H11 | C11 | C12 | C13 | 77.7° | 65.2° |
| H11 | C11 | C12 | H121 | 157.0° | 54.5° |
| H11 | C11 | C12 | H122 | 47.5° | 175.2° |
| H11 | C11 | C43 | H431 | 61.0° | 179.7° |
| H11 | C11 | C43 | H432 | 173.7° | 59.7° |
| H11 | C11 | C43 | H433 | 64.2° | 60.3° |
| C13 | C12 | H121 | H122 | 116.2° | 120.6° |
| C12 | C13 | C14 | H131 | 125.3° | 119.8° |
| C12 | C13 | C14 | H132 | 125.3° | 119.8° |
| C12 | C13 | H131 | H132 | 116.4° | 120.5° |
| C12 | C13 | C14 | C15 | 159.9° | 178.4° |
| C12 | C13 | C14 | H14 | 78.0° | 58.5° |
| H121 | C12 | C13 | C14 | 88.6° | 174.6° |
| H121 | C12 | C13 | H131 | 36.7° | 54.9° |
| H121 | C12 | C13 | H132 | 146.2° | 65.7° |
| H122 | C12 | C13 | C14 | 161.9° | 64.7° |
| H122 | C12 | C13 | H131 | 72.8° | 175.6° |
| H122 | C12 | C13 | H132 | 36.6° | 55.0° |
| C14 | C13 | H131 | H132 | 116.3° | 120.4° |
| C13 | C14 | C15 | H14 | 118.9° | 119.7° |
| C13 | C14 | C15 | C16 | 66.4° | 105.7° |
| C13 | C14 | C15 | H151 | 58.9° | 134.1° |
| C13 | C14 | C15 | H152 | 168.3° | 14.5° |
| H131 | C13 | C14 | C15 | 74.7° | 61.9° |
| H131 | C13 | C14 | H14 | 47.4° | 178.3° |
| H132 | C13 | C14 | C15 | 34.7° | 58.6° |
| H132 | C13 | C14 | H14 | 156.8° | 61.3° |
| C14 | C15 | C16 | H151 | 125.3° | 120.2° |
| C14 | C15 | C16 | H152 | 125.3° | 120.2° |
| C14 | C15 | H151 | H152 | 115.4° | 119.7° |
| C14 | C15 | C16 | O7 | 59.8° | 73.8° |
| C14 | C15 | C16 | C17 | 177.7° | 166.4° |
| C14 | C15 | C16 | H16 | 60.4° | 46.5° |
| H14 | C14 | C15 | C16 | 52.5° | 14.0° |
| H14 | C14 | C15 | H151 | 177.8° | 106.2° |
| H14 | C14 | C15 | H152 | 72.8° | 134.2° |
| C16 | C15 | H151 | H152 | 115.3° | 119.6° |
| C15 | C16 | O7 | C17 | 117.9° | 119.3° |
| C15 | C16 | O7 | H16 | 120.3° | 120.3° |
| C15 | C16 | C17 | H16 | 120.1° | 119.9° |
| C15 | C16 | O7 | C50 | 141.8° | 59.4° |
| C15 | C16 | C17 | C18 | 113.4° | 151.2° |
| C15 | C16 | C17 | C44 | 65.2° | 28.3° |
| H151 | C15 | C16 | O7 | 174.9° | 46.4° |
| H151 | C15 | C16 | C17 | 57.0° | 73.4° |
| H151 | C15 | C16 | H16 | 64.9° | 166.7° |
| H152 | C15 | C16 | O7 | 65.5° | 166.0° |
| H152 | C15 | C16 | C17 | 52.4° | 46.2° |
| H152 | C15 | C16 | H16 | 174.3° | 73.7° |
| O7 | C16 | C17 | H16 | 120.1° | 120.3° |
| O7 | C16 | C17 | C18 | 126.9° | 31.4° |
| O7 | C16 | C17 | C44 | 54.5° | 148.2° |
| C16 | O7 | C50 | C53 | 150.8° | 173.1° |
| C16 | O7 | C50 | H501 | 83.9° | 66.8° |
| C16 | O7 | C50 | H502 | 25.6° | 53.2° |
| C17 | C16 | O7 | C50 | 100.4° | 59.9° |
| C16 | C17 | C18 | C44 | 178.5° | 179.6° |
| C16 | C17 | C18 | C19 | 177.4° | 1.3° |
| C16 | C17 | C18 | H18 | 2.6° | 178.9° |
| C16 | C17 | C44 | H441 | 180.0° | 179.6° |
| C16 | C17 | C44 | H442 | 54.8° | 60.5° |
| C16 | C17 | C44 | H443 | 54.7° | 59.6° |
| H16 | C16 | O7 | C50 | 21.5° | 179.7° |
| H16 | C16 | C17 | C18 | 6.7° | 88.9° |
| H16 | C16 | C17 | C44 | 174.6° | 91.5° |
| O7 | C50 | C53 | H501 | 125.2° | 120.0° |
| O7 | C50 | C53 | H502 | 125.2° | 120.0° |
| O7 | C50 | H501 | H502 | 121.8° | 120.0° |
| O7 | C50 | C53 | H531 | 180.0° | 60.1° |
| O7 | C50 | C53 | H532 | 54.7° | 60.0° |
| O7 | C50 | C53 | H533 | 54.7° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.8° |
| C17 | C18 | C19 | C20 | 168.8° | 168.0° |
| C17 | C18 | C19 | H19 | 11.2° | 12.0° |
| C18 | C17 | C44 | H441 | 1.4° | 0.0° |
| C18 | C17 | C44 | H442 | 123.8° | 119.9° |
| C18 | C17 | C44 | H443 | 126.7° | 120.0° |
| C44 | C17 | C18 | C19 | 1.0° | 179.2° |
| C44 | C17 | C18 | H18 | 179.0° | 0.6° |
| C17 | C44 | H441 | H442 | 125.3° | 119.9° |
| C17 | C44 | H441 | H443 | 125.3° | 120.0° |
| C17 | C44 | H442 | H443 | 116.9° | 120.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 179.5° | 178.5° |
| C18 | C19 | C20 | H20 | 0.4° | 1.9° |
| H18 | C18 | C19 | C20 | 11.2° | 12.2° |
| H18 | C18 | C19 | H19 | 168.8° | 167.8° |
| C19 | C20 | C21 | H20 | 180.0° | 179.6° |
| C19 | C20 | C21 | C22 | 143.2° | 169.3° |
| C19 | C20 | C21 | H21 | 36.8° | 10.9° |
| H19 | C19 | C20 | C21 | 0.5° | 1.5° |
| H19 | C19 | C20 | H20 | 179.5° | 178.1° |
| C20 | C21 | C22 | H21 | 180.0° | 179.7° |
| C20 | C21 | C22 | C23 | 179.6° | 179.4° |
| C20 | C21 | C22 | H22 | 0.3° | 1.3° |
| H20 | C20 | C21 | C22 | 36.8° | 10.3° |
| H20 | C20 | C21 | H21 | 143.2° | 169.4° |
| C21 | C22 | C23 | H22 | 179.9° | 179.3° |
| C21 | C22 | C23 | C24 | 130.5° | 100.6° |
| C21 | C22 | C23 | C45 | 108.0° | 139.3° |
| C21 | C22 | C23 | H23 | 12.2° | 19.4° |
| H21 | C21 | C22 | C23 | 0.4° | 0.3° |
| H21 | C21 | C22 | H22 | 179.7° | 179.0° |
| C22 | C23 | C24 | C45 | 120.1° | 120.0° |
| C22 | C23 | C24 | H23 | 119.9° | 120.0° |
| C22 | C23 | C45 | H23 | 120.0° | 119.9° |
| C22 | C23 | C24 | C25 | 46.6° | 137.0° |
| C22 | C23 | C24 | H241 | 171.8° | 17.1° |
| C22 | C23 | C24 | H242 | 78.8° | 103.1° |
| C22 | C23 | C45 | H451 | 180.0° | 179.9° |
| C22 | C23 | C45 | H452 | 54.8° | 59.8° |
| C22 | C23 | C45 | H453 | 54.7° | 60.1° |
| H22 | C22 | C23 | C24 | 49.4° | 78.7° |
| H22 | C22 | C23 | C45 | 72.1° | 41.4° |
| H22 | C22 | C23 | H23 | 167.8° | 161.3° |
| C24 | C23 | C45 | H23 | 118.3° | 120.0° |
| C23 | C24 | C25 | H241 | 125.3° | 120.0° |
| C23 | C24 | C25 | H242 | 125.3° | 120.0° |
| C23 | C24 | H241 | H242 | 115.5° | 120.1° |
| C23 | C24 | C25 | C26 | 151.6° | 171.7° |
| C23 | C24 | C25 | C46 | 86.7° | 68.3° |
| C23 | C24 | C25 | H25 | 32.0° | 51.7° |
| C24 | C23 | C45 | H451 | 58.3° | 60.0° |
| C24 | C23 | C45 | H452 | 176.5° | 179.9° |
| C24 | C23 | C45 | H453 | 67.0° | 60.0° |
| C45 | C23 | C24 | C25 | 166.6° | 103.0° |
| C45 | C23 | C24 | H241 | 68.1° | 137.0° |
| C45 | C23 | C24 | H242 | 41.3° | 16.9° |
| C23 | C45 | H451 | H452 | 125.2° | 120.0° |
| C23 | C45 | H451 | H453 | 125.2° | 120.0° |
| C23 | C45 | H452 | H453 | 118.6° | 120.0° |
| H23 | C23 | C24 | C25 | 73.3° | 17.0° |
| H23 | C23 | C24 | H241 | 51.9° | 103.0° |
| H23 | C23 | C24 | H242 | 161.4° | 136.9° |
| H23 | C23 | C45 | H451 | 60.0° | 60.0° |
| H23 | C23 | C45 | H452 | 65.2° | 60.1° |
| H23 | C23 | C45 | H453 | 174.7° | 180.0° |
| C25 | C24 | H241 | H242 | 115.5° | 120.0° |
| C24 | C25 | C26 | C46 | 122.0° | 120.0° |
| C24 | C25 | C26 | H25 | 119.3° | 120.0° |
| C24 | C25 | C46 | H25 | 119.2° | 119.9° |
| C24 | C25 | C26 | O8 | 88.4° | 15.4° |
| C24 | C25 | C26 | C27 | 88.6° | 164.5° |
| C24 | C25 | C46 | H461 | 180.0° | 172.9° |
| C24 | C25 | C46 | H462 | 54.7° | 52.9° |
| C24 | C25 | C46 | H463 | 54.7° | 67.1° |
| H241 | C24 | C25 | C26 | 83.2° | 51.7° |
| H241 | C24 | C25 | C46 | 38.6° | 171.7° |
| H241 | C24 | C25 | H25 | 157.3° | 68.3° |
| H242 | C24 | C25 | C26 | 26.3° | 68.3° |
| H242 | C24 | C25 | C46 | 148.0° | 51.7° |
| H242 | C24 | C25 | H25 | 93.3° | 171.6° |
| C26 | C25 | C46 | H25 | 119.5° | 120.0° |
| C25 | C26 | O8 | C27 | 176.9° | 179.9° |
| C25 | C26 | C27 | O9 | 157.2° | 44.0° |
| C25 | C26 | C27 | C28 | 85.0° | 164.0° |
| C25 | C26 | C27 | H27 | 34.5° | 75.9° |
| C26 | C25 | C46 | H461 | 58.7° | 67.0° |
| C26 | C25 | C46 | H462 | 176.0° | 173.0° |
| C26 | C25 | C46 | H463 | 66.5° | 53.0° |
| C46 | C25 | C26 | O8 | 33.6° | 135.4° |
| C46 | C25 | C26 | C27 | 149.4° | 44.5° |
| C25 | C46 | H461 | H462 | 125.3° | 120.0° |
| C25 | C46 | H461 | H463 | 125.3° | 120.0° |
| C25 | C46 | H462 | H463 | 117.7° | 120.0° |
| H25 | C25 | C26 | O8 | 152.3° | 104.7° |
| H25 | C25 | C26 | C27 | 30.7° | 75.4° |
| H25 | C25 | C46 | H461 | 60.8° | 53.0° |
| H25 | C25 | C46 | H462 | 64.5° | 67.0° |
| H25 | C25 | C46 | H463 | 174.0° | 173.0° |
| O8 | C26 | C27 | O9 | 19.7° | 136.0° |
| O8 | C26 | C27 | C28 | 98.0° | 16.0° |
| O8 | C26 | C27 | H27 | 142.4° | 104.0° |
| C26 | C27 | O9 | C28 | 118.7° | 120.1° |
| C26 | C27 | O9 | H27 | 121.8° | 120.0° |
| C26 | C27 | C28 | H27 | 122.1° | 120.0° |
| C26 | C27 | O9 | C51 | 105.0° | 130.7° |
| C26 | C27 | C28 | O10 | 46.4° | 132.5° |
| C26 | C27 | C28 | C29 | 74.6° | 107.5° |
| C26 | C27 | C28 | H28 | 167.8° | 12.5° |
| O9 | C27 | C28 | H27 | 123.0° | 120.0° |
| O9 | C27 | C28 | O10 | 68.5° | 107.6° |
| O9 | C27 | C28 | C29 | 170.5° | 12.5° |
| O9 | C27 | C28 | H28 | 52.9° | 132.4° |
| C27 | O9 | C51 | H511 | 180.0° | 62.8° |
| C27 | O9 | C51 | H512 | 54.8° | 57.2° |
| C27 | O9 | C51 | H513 | 54.7° | 177.1° |
| C28 | C27 | O9 | C51 | 136.3° | 109.2° |
| C27 | C28 | O10 | C29 | 125.7° | 120.0° |
| C27 | C28 | O10 | H28 | 116.3° | 120.0° |
| C27 | C28 | C29 | H28 | 116.0° | 120.0° |
| C27 | C28 | O10 | HO1 | 176.0° | 60.0° |
| C27 | C28 | C29 | C30 | 109.1° | 170.8° |
| C27 | C28 | C29 | C47 | 70.0° | 69.3° |
| C27 | C28 | C29 | H29 | 115.8° | 50.8° |
| H27 | C27 | O9 | C51 | 16.8° | 10.8° |
| H27 | C27 | C28 | O10 | 168.5° | 12.4° |
| H27 | C27 | C28 | C29 | 47.5° | 132.4° |
| H27 | C27 | C28 | H28 | 70.1° | 107.6° |
| O9 | C51 | H511 | H512 | 125.2° | 120.0° |
| O9 | C51 | H511 | H513 | 125.3° | 120.1° |
| O9 | C51 | H512 | H513 | 115.5° | 120.0° |
| O10 | C28 | C29 | H28 | 121.6° | 120.0° |
| O10 | C28 | C29 | C30 | 13.3° | 69.2° |
| O10 | C28 | C29 | C47 | 167.6° | 50.8° |
| O10 | C28 | C29 | H29 | 6.7° | 170.8° |
| C29 | C28 | O10 | HO1 | 58.3° | 180.0° |
| C28 | C29 | C30 | C47 | 179.0° | 120.0° |
| C28 | C29 | C30 | H29 | 56.0° | 120.1° |
| C28 | C29 | C47 | H29 | 173.7° | 120.0° |
| C28 | C29 | C30 | C31 | 173.7° | 178.4° |
| C28 | C29 | C30 | H301 | 61.0° | 58.4° |
| C28 | C29 | C30 | H302 | 48.4° | 61.6° |
| C28 | C29 | C47 | H471 | 180.0° | 160.7° |
| C28 | C29 | C47 | H472 | 54.7° | 79.2° |
| C28 | C29 | C47 | H473 | 54.7° | 40.7° |
| H28 | C28 | O10 | HO1 | 59.7° | 60.0° |
| H28 | C28 | C29 | C30 | 134.8° | 50.8° |
| H28 | C28 | C29 | C47 | 46.0° | 170.8° |
| H28 | C28 | C29 | H29 | 128.2° | 69.2° |
| C30 | C29 | C47 | H29 | 7.1° | 119.9° |
| C29 | C30 | C31 | H301 | 125.3° | 120.0° |
| C29 | C30 | C31 | H302 | 125.3° | 120.0° |
| C29 | C30 | H301 | H302 | 112.7° | 120.0° |
| C29 | C30 | C31 | C32 | 97.2° | 83.4° |
| C29 | C30 | C31 | C48 | 141.7° | 156.7° |
| C29 | C30 | C31 | H31 | 22.2° | 36.6° |
| C30 | C29 | C47 | H471 | 0.9° | 40.7° |
| C30 | C29 | C47 | H472 | 126.1° | 160.8° |
| C30 | C29 | C47 | H473 | 124.4° | 79.3° |
| C47 | C29 | C30 | C31 | 7.3° | 61.6° |
| C47 | C29 | C30 | H301 | 118.0° | 178.4° |
| C47 | C29 | C30 | H302 | 132.6° | 58.4° |
| C29 | C47 | H471 | H472 | 125.2° | 120.0° |
| C29 | C47 | H471 | H473 | 125.2° | 120.0° |
| C29 | C47 | H472 | H473 | 117.7° | 120.0° |
| H29 | C29 | C30 | C31 | 117.8° | 58.4° |
| H29 | C29 | C30 | H301 | 116.9° | 61.7° |
| H29 | C29 | C30 | H302 | 7.6° | 178.3° |
| H29 | C29 | C47 | H471 | 6.3° | 79.2° |
| H29 | C29 | C47 | H472 | 119.0° | 40.8° |
| H29 | C29 | C47 | H473 | 131.5° | 160.7° |
| C31 | C30 | H301 | H302 | 112.7° | 120.0° |
| C30 | C31 | C32 | C48 | 120.1° | 120.0° |
| C30 | C31 | C32 | H31 | 120.4° | 120.0° |
| C30 | C31 | C48 | H31 | 120.3° | 120.1° |
| C30 | C31 | C32 | O11 | 92.7° | 36.9° |
| C30 | C31 | C32 | C33 | 87.3° | 143.1° |
| C30 | C31 | C48 | H481 | 180.0° | 179.9° |
| C30 | C31 | C48 | H482 | 54.7° | 60.1° |
| C30 | C31 | C48 | H483 | 54.7° | 59.9° |
| H301 | C30 | C31 | C32 | 137.5° | 36.6° |
| H301 | C30 | C31 | C48 | 16.4° | 83.4° |
| H301 | C30 | C31 | H31 | 103.1° | 156.6° |
| H302 | C30 | C31 | C32 | 28.1° | 156.6° |
| H302 | C30 | C31 | C48 | 93.0° | 36.7° |
| H302 | C30 | C31 | H31 | 147.5° | 83.4° |
| C32 | C31 | C48 | H31 | 119.4° | 120.0° |
| C31 | C32 | O11 | C33 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 149.0° | 146.3° |
| C31 | C32 | C33 | H331 | 23.7° | 93.7° |
| C31 | C32 | C33 | H332 | 85.8° | 26.2° |
| C32 | C31 | C48 | H481 | 59.8° | 60.0° |
| C32 | C31 | C48 | H482 | 174.9° | 180.0° |
| C32 | C31 | C48 | H483 | 65.5° | 60.0° |
| C48 | C31 | C32 | O11 | 27.4° | 156.8° |
| C48 | C31 | C32 | C33 | 152.6° | 23.1° |
| C31 | C48 | H481 | H482 | 125.3° | 120.0° |
| C31 | C48 | H481 | H483 | 125.3° | 120.0° |
| C31 | C48 | H482 | H483 | 118.3° | 120.0° |
| H31 | C31 | C32 | O11 | 146.9° | 83.1° |
| H31 | C31 | C32 | C33 | 33.0° | 96.9° |
| H31 | C31 | C48 | H481 | 59.7° | 60.0° |
| H31 | C31 | C48 | H482 | 65.7° | 60.0° |
| H31 | C31 | C48 | H483 | 175.1° | NaN° |
| O11 | C32 | C33 | C34 | 31.1° | 33.8° |
| O11 | C32 | C33 | H331 | 156.3° | 86.3° |
| O11 | C32 | C33 | H332 | 94.2° | 153.8° |
| C32 | C33 | C34 | H331 | 125.2° | 120.0° |
| C32 | C33 | C34 | H332 | 125.3° | 120.1° |
| C32 | C33 | H331 | H332 | 116.9° | 119.9° |
| C32 | C33 | C34 | C35 | 162.2° | 91.6° |
| C32 | C33 | C34 | H34 | 41.5° | 28.4° |
| C34 | C33 | H331 | H332 | 117.0° | 119.9° |
| C33 | C34 | C35 | H34 | 119.2° | 120.1° |
| C33 | C34 | C35 | C36 | 72.7° | 57.9° |
| C33 | C34 | C35 | C49 | 48.8° | 62.1° |
| C33 | C34 | C35 | H35 | 168.0° | 177.9° |
| H331 | C33 | C34 | C35 | 37.0° | 148.3° |
| H331 | C33 | C34 | H34 | 83.7° | 91.6° |
| H332 | C33 | C34 | C35 | 72.5° | 28.4° |
| H332 | C33 | C34 | H34 | 166.8° | 148.5° |
| C34 | C35 | C36 | C49 | 122.0° | 120.0° |
| C34 | C35 | C36 | H35 | 118.9° | 120.0° |
| C34 | C35 | C49 | H35 | 118.9° | 120.0° |
| C34 | C35 | C36 | C37 | 51.8° | 174.1° |
| C34 | C35 | C36 | H361 | 73.4° | 54.1° |
| C34 | C35 | C36 | H362 | 177.1° | 65.9° |
| C34 | C35 | C49 | H491 | 180.0° | 62.8° |
| C34 | C35 | C49 | H492 | 54.7° | 177.3° |
| C34 | C35 | C49 | H493 | 54.7° | 57.2° |
| H34 | C34 | C35 | C36 | 46.5° | 62.2° |
| H34 | C34 | C35 | C49 | 168.0° | 177.8° |
| H34 | C34 | C35 | H35 | 72.9° | 57.8° |
| C36 | C35 | C49 | H35 | 119.4° | 120.0° |
| C35 | C36 | C37 | H361 | 125.2° | 120.0° |
| C35 | C36 | C37 | H362 | 125.3° | 120.0° |
| C35 | C36 | H361 | H362 | 115.0° | 120.0° |
| C35 | C36 | C37 | C38 | 174.5° | 90.3° |
| C35 | C36 | C37 | C42 | 65.0° | 90.0° |
| C36 | C35 | C49 | H491 | 58.3° | 177.3° |
| C36 | C35 | C49 | H492 | 67.0° | 57.3° |
| C36 | C35 | C49 | H493 | 176.4° | 62.8° |
| C49 | C35 | C36 | C37 | 173.8° | 65.9° |
| C49 | C35 | C36 | H361 | 48.6° | 174.1° |
| C49 | C35 | C36 | H362 | 60.9° | 54.1° |
| C35 | C49 | H491 | H492 | 125.2° | 120.0° |
| C35 | C49 | H491 | H493 | 125.2° | 120.0° |
| C35 | C49 | H492 | H493 | 117.6° | 120.0° |
| H35 | C35 | C36 | C37 | 67.0° | 54.1° |
| H35 | C35 | C36 | H361 | 167.7° | 65.9° |
| H35 | C35 | C36 | H362 | 58.2° | 174.1° |
| H35 | C35 | C49 | H491 | 61.1° | 57.2° |
| H35 | C35 | C49 | H492 | 173.6° | 62.8° |
| H35 | C35 | C49 | H493 | 64.2° | 177.2° |
| C37 | C36 | H361 | H362 | 115.0° | 120.0° |
| C36 | C37 | C38 | C42 | 121.7° | 179.7° |
| C36 | C37 | C38 | C39 | 166.3° | 179.8° |
| C36 | C37 | C38 | H38 | 13.7° | 0.2° |
| C36 | C37 | C42 | C41 | 169.7° | 180.0° |
| C36 | C37 | C42 | H42 | 10.4° | 0.0° |
| H361 | C36 | C37 | C38 | 49.2° | 149.7° |
| H361 | C36 | C37 | C42 | 169.8° | 30.0° |
| H362 | C36 | C37 | C38 | 60.3° | 29.7° |
| H362 | C36 | C37 | C42 | 60.3° | 150.0° |
| C37 | C38 | C39 | H38 | 180.0° | 179.6° |
| C37 | C38 | C39 | O12 | 159.4° | 179.7° |
| C37 | C38 | C39 | C40 | 41.9° | 0.5° |
| C38 | C37 | C42 | C41 | 50.0° | 0.3° |
| C38 | C37 | C42 | H42 | 130.0° | 179.8° |
| C42 | C37 | C38 | C39 | 44.7° | 0.5° |
| C42 | C37 | C38 | H38 | 135.4° | 179.9° |
| C37 | C42 | C41 | C40 | 57.3° | 0.1° |
| C37 | C42 | C41 | H42 | 180.0° | 179.9° |
| C37 | C42 | C41 | H41 | 122.7° | 180.0° |
| C38 | C39 | O12 | C40 | 119.9° | 179.8° |
| C38 | C39 | O12 | C52 | 66.0° | 0.2° |
| C38 | C39 | C40 | O13 | 162.3° | 179.8° |
| C38 | C39 | C40 | C41 | 42.9° | 0.2° |
| H38 | C38 | C39 | O12 | 20.6° | 0.2° |
| H38 | C38 | C39 | C40 | 138.1° | 180.0° |
| O12 | C39 | C40 | O13 | 81.8° | 0.0° |
| O12 | C39 | C40 | C41 | 158.8° | 180.0° |
| C39 | O12 | C52 | H521 | 180.0° | 59.9° |
| C39 | O12 | C52 | H522 | 54.7° | 60.0° |
| C39 | O12 | C52 | H523 | 54.7° | 180.0° |
| C40 | C39 | O12 | C52 | 174.1° | 180.0° |
| C39 | C40 | O13 | C41 | 121.9° | 180.0° |
| C39 | C40 | O13 | HO3 | 22.2° | 90.0° |
| C39 | C40 | C41 | C42 | 52.5° | 0.0° |
| C39 | C40 | C41 | H41 | 127.5° | 180.0° |
| O12 | C52 | H521 | H522 | 125.2° | 119.9° |
| O12 | C52 | H521 | H523 | 125.3° | 120.0° |
| O12 | C52 | H522 | H523 | 114.7° | 120.0° |
| O13 | C40 | C41 | C42 | 173.3° | 180.0° |
| O13 | C40 | C41 | H41 | 6.7° | 0.0° |
| C41 | C40 | O13 | HO3 | 99.7° | 90.0° |
| C40 | C41 | C42 | H41 | 180.0° | 180.0° |
| C40 | C41 | C42 | H42 | 122.8° | 180.0° |
| H41 | C41 | C42 | H42 | 57.3° | 0.0° |
| H431 | C43 | H432 | H433 | 117.8° | 120.1° |
| H441 | C44 | H442 | H443 | 116.8° | 120.1° |
| H451 | C45 | H452 | H453 | 118.6° | 120.0° |
| H461 | C46 | H462 | H463 | 117.6° | 120.0° |
| H471 | C47 | H472 | H473 | 117.9° | 120.0° |
| H481 | C48 | H482 | H483 | 118.3° | 120.0° |
| H491 | C49 | H492 | H493 | 117.8° | 120.0° |
| C53 | C50 | H501 | H502 | 121.9° | 120.0° |
| C50 | C53 | H531 | H532 | 125.2° | 120.0° |
| C50 | C53 | H531 | H533 | 125.3° | 119.9° |
| C50 | C53 | H532 | H533 | 121.8° | 120.0° |
| H501 | C50 | C53 | H531 | 54.8° | 60.0° |
| H501 | C50 | C53 | H532 | 180.0° | NaN° |
| H501 | C50 | C53 | H533 | 70.6° | 60.0° |
| H502 | C50 | C53 | H531 | 54.8° | 180.0° |
| H502 | C50 | C53 | H532 | 70.5° | 60.0° |
| H502 | C50 | C53 | H533 | 179.9° | 60.1° |
| H511 | C51 | H512 | H513 | 115.5° | 120.0° |
| H521 | C52 | H522 | H523 | 114.8° | 120.1° |
| H531 | C53 | H532 | H533 | 121.9° | 120.0° |
