RAP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.35Å | 1.41Å | |
| C1 | O2 | doub | 1.20Å | 1.19Å | |
| C1 | C2 | sing | 1.49Å | 1.54Å | |
| O1 | C34 | sing | 1.45Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | N7 | sing | 1.47Å | 1.51Å | |
| C2 | H2 | sing | 1.11Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C3 | H31A | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.54Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | N7 | sing | 1.49Å | 1.49Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| N7 | C8 | sing | 1.33Å | 1.37Å | |
| C8 | O3 | doub | 1.21Å | 1.25Å | |
| C8 | C9 | sing | 1.47Å | 1.43Å | |
| C9 | O4 | doub | 1.21Å | 1.24Å | |
| C9 | C10 | sing | 1.50Å | 1.57Å | |
| C10 | O5 | sing | 1.42Å | 1.44Å | |
| C10 | O6 | sing | 1.43Å | 1.43Å | |
| C10 | C11 | sing | 1.53Å | 1.59Å | |
| O5 | C14 | sing | 1.42Å | 1.43Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C11 | C43 | sing | 1.53Å | 1.55Å | |
| C11 | H11 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.54Å | 1.56Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.54Å | 1.55Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.51Å | 1.56Å | |
| C14 | H14 | sing | 1.11Å | 1.11Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | O7 | sing | 1.43Å | 1.45Å | |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| C16 | H16 | sing | 1.09Å | 1.11Å | |
| O7 | C50 | sing | 1.43Å | 1.47Å | |
| C17 | C18 | doub | 1.32Å | 1.37Å | |
| C17 | C44 | sing | 1.51Å | 1.54Å | |
| C18 | C19 | sing | 1.46Å | 1.48Å | |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.35Å | 1.34Å | |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.46Å | 1.47Å | |
| C20 | H20 | sing | 1.07Å | 1.10Å | |
| C21 | C22 | doub | 1.33Å | 1.35Å | |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | sing | 1.51Å | 1.54Å | |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.57Å | |
| C23 | C45 | sing | 1.53Å | 1.56Å | |
| C23 | H23 | sing | 1.09Å | 1.12Å | |
| C24 | C25 | sing | 1.53Å | 1.58Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | sing | 1.51Å | 1.54Å | |
| C25 | C46 | sing | 1.53Å | 1.56Å | |
| C25 | H25 | sing | 1.09Å | 1.11Å | |
| C26 | O8 | doub | 1.21Å | 1.22Å | |
| C26 | C27 | sing | 1.51Å | 1.55Å | |
| C27 | O9 | sing | 1.43Å | 1.46Å | |
| C27 | C28 | sing | 1.53Å | 1.58Å | |
| C27 | H27 | sing | 1.09Å | 1.11Å | |
| O9 | C51 | sing | 1.43Å | 1.44Å | |
| C28 | O10 | sing | 1.43Å | 1.42Å | |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C28 | H28 | sing | 1.09Å | 1.12Å | |
| O10 | HO1 | sing | 0.97Å | 0.95Å | |
| C29 | C30 | doub | 1.31Å | 1.38Å | |
| C29 | C47 | sing | 1.50Å | 1.55Å | |
| C30 | C31 | sing | 1.51Å | 1.56Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.51Å | 1.57Å | |
| C31 | C48 | sing | 1.53Å | 1.57Å | |
| C31 | H31 | sing | 1.09Å | 1.11Å | |
| C32 | O11 | doub | 1.21Å | 1.22Å | |
| C32 | C33 | sing | 1.50Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | H331 | sing | 1.09Å | 1.11Å | |
| C33 | H332 | sing | 1.09Å | 1.11Å | |
| C34 | C35 | sing | 1.53Å | 1.58Å | |
| C34 | H34 | sing | 1.09Å | 1.12Å | |
| C35 | C36 | sing | 1.53Å | 1.56Å | |
| C35 | C49 | sing | 1.53Å | 1.53Å | |
| C35 | H35 | sing | 1.09Å | 1.12Å | |
| C36 | C37 | sing | 1.53Å | 1.56Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| C37 | C38 | sing | 1.53Å | 1.56Å | |
| C37 | C42 | sing | 1.53Å | 1.59Å | |
| C37 | H37 | sing | 1.09Å | 1.11Å | |
| C38 | C39 | sing | 1.53Å | 1.55Å | |
| C38 | H381 | sing | 1.09Å | 1.11Å | |
| C38 | H382 | sing | 1.09Å | 1.11Å | |
| C39 | O12 | sing | 1.43Å | 1.47Å | |
| C39 | C40 | sing | 1.53Å | 1.57Å | |
| C39 | H39 | sing | 1.09Å | 1.11Å | |
| O12 | C52 | sing | 1.43Å | 1.46Å | |
| C40 | O13 | sing | 1.43Å | 1.44Å | |
| C40 | C41 | sing | 1.53Å | 1.57Å | |
| C40 | H40 | sing | 1.09Å | 1.12Å | |
| O13 | HO3 | sing | 0.97Å | 0.95Å | |
| C41 | C42 | sing | 1.53Å | 1.55Å | |
| C41 | H411 | sing | 1.09Å | 1.12Å | |
| C41 | H412 | sing | 1.09Å | 1.12Å | |
| C42 | H421 | sing | 1.09Å | 1.12Å | |
| C42 | H422 | sing | 1.09Å | 1.12Å | |
| 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 | 1.11Å | |
| 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 | 1.12Å | |
| C47 | H473 | sing | 1.09Å | 1.11Å | |
| C48 | H481 | sing | 1.09Å | 1.11Å | |
| C48 | H482 | sing | 1.09Å | 1.11Å | |
| C48 | H483 | sing | 1.09Å | 1.12Å | |
| C49 | H491 | sing | 1.09Å | 1.11Å | |
| C49 | H492 | sing | 1.09Å | 1.11Å | |
| C49 | H493 | sing | 1.09Å | 1.12Å | |
| C50 | H501 | sing | 1.09Å | 1.11Å | |
| C50 | H502 | sing | 1.09Å | 1.12Å | |
| C50 | H503 | sing | 1.09Å | 1.11Å | |
| C51 | H511 | sing | 1.09Å | 1.12Å | |
| C51 | H512 | sing | 1.09Å | 1.11Å | |
| C51 | H513 | sing | 1.09Å | 1.11Å | |
| C52 | H521 | sing | 1.09Å | 1.12Å | |
| C52 | H522 | sing | 1.09Å | 1.12Å | |
| C52 | H523 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 122.0° | 119.1° |
| O1 | C1 | C2 | 115.8° | 118.6° |
| C1 | O1 | C34 | 120.6° | 121.9° |
| O2 | C1 | C2 | 122.2° | 122.3° |
| C1 | C2 | C3 | 108.8° | 110.9° |
| C1 | C2 | N7 | 114.4° | 116.7° |
| C1 | C2 | H2 | 107.3° | 107.6° |
| O1 | C34 | C33 | 105.2° | 109.9° |
| O1 | C34 | C35 | 106.8° | 109.1° |
| O1 | C34 | H34 | 115.8° | 109.7° |
| C3 | C2 | N7 | 111.6° | 107.2° |
| C3 | C2 | H2 | 110.3° | 107.0° |
| C2 | C3 | C4 | 111.8° | 109.2° |
| C2 | C3 | H31A | 111.4° | 109.2° |
| C2 | C3 | H32 | 111.4° | 109.5° |
| N7 | C2 | H2 | 104.3° | 107.0° |
| C2 | N7 | C6 | 116.3° | 114.5° |
| C2 | N7 | C8 | 118.1° | 127.1° |
| C4 | C3 | H31A | 111.4° | 109.5° |
| C4 | C3 | H32 | 111.4° | 109.7° |
| C3 | C4 | C5 | 109.1° | 110.2° |
| C3 | C4 | H41 | 112.3° | 109.3° |
| C3 | C4 | H42 | 112.3° | 109.2° |
| H31A | C3 | H32 | 98.9° | 109.8° |
| C5 | C4 | H41 | 112.4° | 109.5° |
| C5 | C4 | H42 | 112.4° | 109.5° |
| C4 | C5 | C6 | 109.5° | 109.1° |
| C4 | C5 | H51 | 112.2° | 109.6° |
| C4 | C5 | H52 | 112.2° | 109.6° |
| H41 | C4 | H42 | 98.1° | 109.2° |
| C6 | C5 | H51 | 112.2° | 109.6° |
| C6 | C5 | H52 | 112.2° | 109.5° |
| C5 | C6 | N7 | 109.3° | 106.2° |
| C5 | C6 | H61 | 112.3° | 110.1° |
| C5 | C6 | H62 | 112.3° | 110.0° |
| H51 | C5 | H52 | 98.2° | 109.5° |
| N7 | C6 | H61 | 112.3° | 109.6° |
| N7 | C6 | H62 | 112.2° | 110.0° |
| C6 | N7 | C8 | 125.5° | 118.4° |
| H61 | C6 | H62 | 98.2° | 110.8° |
| N7 | C8 | O3 | 120.3° | 118.5° |
| N7 | C8 | C9 | 123.3° | 123.7° |
| O3 | C8 | C9 | 116.2° | 117.5° |
| C8 | C9 | O4 | 122.2° | 116.5° |
| C8 | C9 | C10 | 119.6° | 126.2° |
| O4 | C9 | C10 | 118.1° | 117.3° |
| C9 | C10 | O5 | 104.6° | 111.1° |
| C9 | C10 | O6 | 109.2° | 109.0° |
| C9 | C10 | C11 | 113.3° | 108.1° |
| O5 | C10 | O6 | 105.7° | 109.6° |
| O5 | C10 | C11 | 113.1° | 110.3° |
| C10 | O5 | C14 | 119.9° | 109.3° |
| O6 | C10 | C11 | 110.5° | 108.6° |
| C10 | O6 | HO6 | 109.2° | 106.7° |
| C10 | C11 | C12 | 109.3° | 110.8° |
| C10 | C11 | C43 | 113.7° | 109.3° |
| C10 | C11 | H11 | 107.9° | 109.7° |
| O5 | C14 | C13 | 107.5° | 109.8° |
| O5 | C14 | C15 | 103.8° | 115.4° |
| O5 | C14 | H14 | 116.8° | 107.6° |
| C12 | C11 | C43 | 112.9° | 108.4° |
| C12 | C11 | H11 | 108.8° | 109.4° |
| C11 | C12 | C13 | 109.7° | 107.8° |
| C11 | C12 | H121 | 112.1° | 109.8° |
| C11 | C12 | H122 | 112.1° | 109.8° |
| C43 | C11 | H11 | 103.9° | 109.2° |
| C11 | C43 | H431 | 113.8° | 109.5° |
| C11 | C43 | H432 | 110.7° | 109.4° |
| C11 | C43 | H433 | 110.6° | 109.5° |
| C13 | C12 | H121 | 112.2° | 109.8° |
| C13 | C12 | H122 | 112.1° | 109.8° |
| C12 | C13 | C14 | 113.0° | 106.2° |
| C12 | C13 | H131 | 110.9° | 110.1° |
| C12 | C13 | H132 | 110.9° | 110.3° |
| H121 | C12 | H122 | 98.3° | 109.8° |
| C14 | C13 | H131 | 110.9° | 109.9° |
| C14 | C13 | H132 | 110.9° | 110.0° |
| C13 | C14 | C15 | 116.0° | 111.3° |
| C13 | C14 | H14 | 104.7° | 105.8° |
| H131 | C13 | H132 | 99.4° | 110.2° |
| C15 | C14 | H14 | 108.4° | 106.3° |
| C14 | C15 | C16 | 113.1° | 115.0° |
| C14 | C15 | H151 | 110.9° | 107.9° |
| C14 | C15 | H152 | 110.9° | 107.9° |
| C16 | C15 | H151 | 110.9° | 108.6° |
| C16 | C15 | H152 | 110.9° | 108.8° |
| C15 | C16 | O7 | 108.2° | 110.1° |
| C15 | C16 | C17 | 107.4° | 107.3° |
| C15 | C16 | H16 | 112.2° | 110.2° |
| H151 | C15 | H152 | 99.4° | 108.4° |
| O7 | C16 | C17 | 111.1° | 109.3° |
| O7 | C16 | H16 | 108.6° | 110.2° |
| C16 | O7 | C50 | 114.3° | 106.8° |
| C17 | C16 | H16 | 109.3° | 109.7° |
| C16 | C17 | C18 | 117.8° | 122.8° |
| C16 | C17 | C44 | 118.8° | 117.7° |
| O7 | C50 | H501 | 114.2° | 109.5° |
| O7 | C50 | H502 | 110.4° | 109.5° |
| O7 | C50 | H503 | 110.4° | 109.4° |
| C18 | C17 | C44 | 123.3° | 119.5° |
| C17 | C18 | C19 | 128.6° | 119.6° |
| C17 | C18 | H18 | 110.8° | 121.8° |
| C17 | C44 | H441 | 118.8° | 109.5° |
| C17 | C44 | H442 | 108.8° | 109.5° |
| C17 | C44 | H443 | 108.8° | 109.5° |
| C19 | C18 | H18 | 120.7° | 118.6° |
| C18 | C19 | C20 | 123.4° | 120.7° |
| C18 | C19 | H19 | 123.5° | 122.3° |
| C20 | C19 | H19 | 113.1° | 116.9° |
| C19 | C20 | C21 | 123.1° | 117.6° |
| C19 | C20 | H20 | 113.7° | 120.8° |
| C21 | C20 | H20 | 123.2° | 121.5° |
| C20 | C21 | C22 | 122.5° | 119.7° |
| C20 | C21 | H21 | 123.1° | 119.6° |
| C22 | C21 | H21 | 114.4° | 120.8° |
| C21 | C22 | C23 | 123.1° | 119.9° |
| C21 | C22 | H22 | 111.7° | 119.5° |
| C23 | C22 | H22 | 125.2° | 120.7° |
| C22 | C23 | C24 | 105.9° | 108.9° |
| C22 | C23 | C45 | 110.2° | 109.6° |
| C22 | C23 | H23 | 111.9° | 109.7° |
| C24 | C23 | C45 | 111.1° | 109.3° |
| C24 | C23 | H23 | 111.0° | 109.9° |
| C23 | C24 | C25 | 117.8° | 110.1° |
| C23 | C24 | H241 | 109.3° | 109.5° |
| C23 | C24 | H242 | 109.2° | 109.5° |
| C45 | C23 | H23 | 106.9° | 109.5° |
| C23 | C45 | H451 | 110.2° | 109.5° |
| C23 | C45 | H452 | 111.9° | 109.5° |
| C23 | C45 | H453 | 111.9° | 109.5° |
| C25 | C24 | H241 | 109.2° | 109.4° |
| C25 | C24 | H242 | 109.2° | 109.1° |
| C24 | C25 | C26 | 107.4° | 110.0° |
| C24 | C25 | C46 | 117.8° | 109.4° |
| C24 | C25 | H25 | 106.2° | 109.7° |
| H241 | C24 | H242 | 100.9° | 109.3° |
| C26 | C25 | C46 | 112.4° | 109.1° |
| C26 | C25 | H25 | 112.4° | 109.3° |
| C25 | C26 | O8 | 119.2° | 120.0° |
| C25 | C26 | C27 | 119.9° | 120.0° |
| C46 | C25 | H25 | 100.4° | 109.3° |
| C25 | C46 | H461 | 117.8° | 109.5° |
| C25 | C46 | H462 | 109.2° | 109.5° |
| C25 | C46 | H463 | 109.2° | 109.5° |
| O8 | C26 | C27 | 120.1° | 120.1° |
| C26 | C27 | O9 | 108.1° | 109.1° |
| C26 | C27 | C28 | 111.0° | 110.5° |
| C26 | C27 | H27 | 108.8° | 109.2° |
| O9 | C27 | C28 | 107.7° | 109.6° |
| O9 | C27 | H27 | 112.1° | 109.2° |
| C27 | O9 | C51 | 119.0° | 106.8° |
| C28 | C27 | H27 | 109.2° | 109.2° |
| C27 | C28 | O10 | 109.6° | 109.6° |
| C27 | C28 | C29 | 109.9° | 109.3° |
| C27 | C28 | H28 | 109.7° | 109.7° |
| O9 | C51 | H511 | 119.0° | 109.5° |
| O9 | C51 | H512 | 108.8° | 109.5° |
| O9 | C51 | H513 | 108.8° | 109.4° |
| O10 | C28 | C29 | 111.3° | 109.2° |
| O10 | C28 | H28 | 108.2° | 109.9° |
| C28 | O10 | HO1 | 109.6° | 106.8° |
| C29 | C28 | H28 | 108.0° | 109.2° |
| C28 | C29 | C30 | 120.2° | 118.4° |
| C28 | C29 | C47 | 114.8° | 119.5° |
| C30 | C29 | C47 | 125.0° | 122.1° |
| C29 | C30 | C31 | 128.3° | 122.7° |
| C29 | C30 | H30 | 108.8° | 118.5° |
| C29 | C47 | H471 | 114.8° | 109.4° |
| C29 | C47 | H472 | 110.2° | 109.4° |
| C29 | C47 | H473 | 110.2° | 109.5° |
| C31 | C30 | H30 | 122.9° | 118.7° |
| C30 | C31 | C32 | 109.0° | 107.6° |
| C30 | C31 | C48 | 106.4° | 109.1° |
| C30 | C31 | H31 | 112.9° | 111.7° |
| C32 | C31 | C48 | 112.7° | 109.8° |
| C32 | C31 | H31 | 106.6° | 109.9° |
| C31 | C32 | O11 | 122.2° | 119.4° |
| C31 | C32 | C33 | 116.2° | 120.7° |
| C48 | C31 | H31 | 109.3° | 108.8° |
| C31 | C48 | H481 | 106.4° | 109.5° |
| C31 | C48 | H482 | 113.3° | 109.5° |
| C31 | C48 | H483 | 113.3° | 109.5° |
| O11 | C32 | C33 | 121.4° | 119.8° |
| C32 | C33 | C34 | 112.8° | 110.3° |
| C32 | C33 | H331 | 111.0° | 109.7° |
| C32 | C33 | H332 | 111.0° | 109.9° |
| C34 | C33 | H331 | 110.9° | 108.6° |
| C34 | C33 | H332 | 110.9° | 108.9° |
| C33 | C34 | C35 | 114.7° | 109.3° |
| C33 | C34 | H34 | 108.1° | 109.3° |
| H331 | C33 | H332 | 99.4° | 109.4° |
| C35 | C34 | H34 | 106.5° | 109.6° |
| C34 | C35 | C36 | 115.9° | 109.4° |
| C34 | C35 | C49 | 115.0° | 109.5° |
| C34 | C35 | H35 | 100.9° | 109.5° |
| C36 | C35 | C49 | 111.6° | 109.5° |
| C36 | C35 | H35 | 105.3° | 109.4° |
| C35 | C36 | C37 | 117.4° | 109.5° |
| C35 | C36 | H361 | 109.4° | 109.5° |
| C35 | C36 | H362 | 109.3° | 109.5° |
| C49 | C35 | H35 | 106.6° | 109.4° |
| C35 | C49 | H491 | 114.9° | 109.4° |
| C35 | C49 | H492 | 110.2° | 109.5° |
| C35 | C49 | H493 | 110.1° | 109.5° |
| C37 | C36 | H361 | 109.3° | 109.4° |
| C37 | C36 | H362 | 109.3° | 109.5° |
| C36 | C37 | C38 | 110.3° | 109.4° |
| C36 | C37 | C42 | 115.7° | 109.5° |
| C36 | C37 | H37 | 105.6° | 109.5° |
| H361 | C36 | H362 | 100.9° | 109.4° |
| C38 | C37 | C42 | 112.3° | 109.5° |
| C38 | C37 | H37 | 109.4° | 109.4° |
| C37 | C38 | C39 | 110.9° | 109.4° |
| C37 | C38 | H381 | 111.7° | 109.5° |
| C37 | C38 | H382 | 111.7° | 109.5° |
| C42 | C37 | H37 | 103.0° | 109.5° |
| C37 | C42 | C41 | 113.8° | 109.5° |
| C37 | C42 | H421 | 110.7° | 109.5° |
| C37 | C42 | H422 | 110.7° | 109.5° |
| C39 | C38 | H381 | 111.7° | 109.4° |
| C39 | C38 | H382 | 111.6° | 109.5° |
| C38 | C39 | O12 | 108.9° | 109.5° |
| C38 | C39 | C40 | 110.7° | 109.5° |
| C38 | C39 | H39 | 109.8° | 109.4° |
| H381 | C38 | H382 | 98.8° | 109.5° |
| O12 | C39 | C40 | 111.5° | 109.5° |
| O12 | C39 | H39 | 108.9° | 109.4° |
| C39 | O12 | C52 | 115.5° | 106.8° |
| C40 | C39 | H39 | 107.0° | 109.5° |
| C39 | C40 | O13 | 110.4° | 109.5° |
| C39 | C40 | C41 | 112.4° | 109.5° |
| C39 | C40 | H40 | 106.5° | 109.5° |
| O12 | C52 | H521 | 115.5° | 109.5° |
| O12 | C52 | H522 | 110.0° | 109.5° |
| O12 | C52 | H523 | 110.0° | 109.5° |
| O13 | C40 | C41 | 108.4° | 109.5° |
| O13 | C40 | H40 | 110.6° | 109.5° |
| C40 | O13 | HO3 | 110.4° | 106.8° |
| C41 | C40 | H40 | 108.5° | 109.5° |
| C40 | C41 | C42 | 114.1° | 109.5° |
| C40 | C41 | H411 | 110.5° | 109.5° |
| C40 | C41 | H412 | 110.5° | 109.5° |
| C42 | C41 | H411 | 110.5° | 109.4° |
| C42 | C41 | H412 | 110.5° | 109.5° |
| C41 | C42 | H421 | 110.6° | 109.5° |
| C41 | C42 | H422 | 110.6° | 109.5° |
| H411 | C41 | H412 | 99.7° | 109.5° |
| H421 | C42 | H422 | 99.7° | 109.5° |
| H431 | C43 | H432 | 110.7° | 109.4° |
| H431 | C43 | H433 | 110.6° | 109.5° |
| H432 | C43 | H433 | 99.6° | 109.5° |
| H441 | C44 | H442 | 108.8° | 109.5° |
| H441 | C44 | H443 | 108.9° | 109.5° |
| H442 | C44 | H443 | 101.2° | 109.4° |
| H451 | C45 | H452 | 112.0° | 109.4° |
| H451 | C45 | H453 | 111.9° | 109.5° |
| H452 | C45 | H453 | 98.5° | 109.5° |
| H461 | C46 | H462 | 109.2° | 109.5° |
| H461 | C46 | H463 | 109.1° | 109.4° |
| H462 | C46 | H463 | 100.9° | 109.5° |
| H471 | C47 | H472 | 110.2° | 109.5° |
| H471 | C47 | H473 | 110.3° | 109.5° |
| H472 | C47 | H473 | 100.1° | 109.5° |
| H481 | C48 | H482 | 113.4° | 109.4° |
| H481 | C48 | H483 | 113.3° | 109.4° |
| H482 | C48 | H483 | 97.1° | 109.5° |
| H491 | C49 | H492 | 110.3° | 109.4° |
| H491 | C49 | H493 | 110.2° | 109.5° |
| H492 | C49 | H493 | 100.1° | 109.5° |
| H501 | C50 | H502 | 110.5° | 109.5° |
| H501 | C50 | H503 | 110.5° | 109.4° |
| H502 | C50 | H503 | 99.8° | 109.5° |
| H511 | C51 | H512 | 108.8° | 109.5° |
| H511 | C51 | H513 | 108.8° | 109.5° |
| H512 | C51 | H513 | 101.3° | 109.5° |
| H521 | C52 | H522 | 110.0° | 109.5° |
| H521 | C52 | H523 | 110.0° | 109.4° |
| H522 | C52 | H523 | 100.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 178.1° | 178.7° |
| O1 | C1 | C2 | C3 | 133.3° | 53.2° |
| O1 | C1 | C2 | N7 | 7.8° | 176.3° |
| O1 | C1 | C2 | H2 | 107.4° | 63.5° |
| C1 | O1 | C34 | C33 | 138.5° | 128.2° |
| C1 | O1 | C34 | C35 | 99.2° | 112.0° |
| C1 | O1 | C34 | H34 | 19.2° | 8.0° |
| O2 | C1 | O1 | C34 | 2.6° | 4.2° |
| O2 | C1 | C2 | C3 | 45.0° | 128.1° |
| O2 | C1 | C2 | N7 | 170.5° | 5.0° |
| O2 | C1 | C2 | H2 | 74.4° | 115.2° |
| C2 | C1 | O1 | C34 | 175.7° | 177.0° |
| C1 | C2 | C3 | N7 | 127.2° | 128.4° |
| C1 | C2 | C3 | H2 | 117.4° | 117.1° |
| C1 | C2 | N7 | H2 | 116.9° | 120.5° |
| C1 | C2 | C3 | C4 | 79.4° | 173.7° |
| C1 | C2 | C3 | H31A | 45.9° | 54.0° |
| C1 | C2 | C3 | H32 | 155.3° | 66.3° |
| C1 | C2 | N7 | C6 | 74.7° | 172.0° |
| C1 | C2 | N7 | C8 | 105.0° | 7.6° |
| O1 | C34 | C33 | C32 | 82.5° | 161.4° |
| O1 | C34 | C33 | C35 | 117.1° | 119.7° |
| O1 | C34 | C33 | H34 | 124.3° | 120.5° |
| O1 | C34 | C33 | H331 | 152.3° | 41.2° |
| O1 | C34 | C33 | H332 | 42.8° | 77.9° |
| O1 | C34 | C35 | H34 | 124.3° | 120.2° |
| O1 | C34 | C35 | C36 | 166.6° | 60.1° |
| O1 | C34 | C35 | C49 | 60.7° | 179.8° |
| O1 | C34 | C35 | H35 | 53.5° | 59.8° |
| C3 | C2 | N7 | H2 | 119.1° | 114.6° |
| C2 | C3 | C4 | H31A | 125.3° | 119.5° |
| C2 | C3 | C4 | H32 | 125.3° | 119.9° |
| C2 | C3 | H31A | H32 | 117.3° | 120.0° |
| C2 | C3 | C4 | C5 | 54.8° | 58.9° |
| C2 | C3 | C4 | H41 | 70.5° | 61.4° |
| C2 | C3 | C4 | H42 | 180.0° | 179.2° |
| C3 | C2 | N7 | C6 | 49.3° | 63.1° |
| C3 | C2 | N7 | C8 | 131.0° | 117.4° |
| N7 | C2 | C3 | C4 | 47.8° | 57.9° |
| N7 | C2 | C3 | H31A | 173.1° | 177.6° |
| N7 | C2 | C3 | H32 | 77.5° | 62.1° |
| C2 | N7 | C6 | C5 | 55.7° | 63.3° |
| C2 | N7 | C6 | C8 | 179.7° | 179.6° |
| C2 | N7 | C6 | H61 | 69.6° | 55.6° |
| C2 | N7 | C6 | H62 | 179.1° | 177.7° |
| C2 | N7 | C8 | O3 | 2.4° | 37.5° |
| C2 | N7 | C8 | C9 | 173.0° | 147.8° |
| H2 | C2 | C3 | C4 | 163.2° | 56.6° |
| H2 | C2 | C3 | H31A | 71.5° | 63.1° |
| H2 | C2 | C3 | H32 | 37.9° | 176.6° |
| H2 | C2 | N7 | C6 | 168.4° | 51.5° |
| H2 | C2 | N7 | C8 | 11.9° | 128.1° |
| C4 | C3 | H31A | H32 | 117.2° | 120.5° |
| C3 | C4 | C5 | H41 | 125.3° | 120.2° |
| C3 | C4 | C5 | H42 | 125.2° | 120.2° |
| C3 | C4 | H41 | H42 | 118.2° | 119.4° |
| C3 | C4 | C5 | C6 | 61.2° | 59.6° |
| C3 | C4 | C5 | H51 | 173.6° | 179.6° |
| C3 | C4 | C5 | H52 | 64.1° | 60.2° |
| H31A | C3 | C4 | C5 | 179.9° | 178.4° |
| H31A | C3 | C4 | H41 | 54.8° | 58.0° |
| H31A | C3 | C4 | H42 | 54.7° | 61.4° |
| H32 | C3 | C4 | C5 | 70.6° | 61.0° |
| H32 | C3 | C4 | H41 | 164.1° | 178.7° |
| H32 | C3 | C4 | H42 | 54.7° | 59.3° |
| C5 | C4 | H41 | H42 | 118.3° | 119.8° |
| C4 | C5 | C6 | H51 | 125.3° | 120.0° |
| C4 | C5 | C6 | H52 | 125.2° | 120.0° |
| C4 | C5 | H51 | H52 | 118.1° | 120.3° |
| C4 | C5 | C6 | N7 | 60.5° | 58.7° |
| C4 | C5 | C6 | H61 | 64.8° | 59.8° |
| C4 | C5 | C6 | H62 | 174.3° | 177.8° |
| H41 | C4 | C5 | C6 | 64.1° | 60.6° |
| H41 | C4 | C5 | H51 | 61.2° | 59.4° |
| H41 | C4 | C5 | H52 | 170.6° | 179.6° |
| H42 | C4 | C5 | C6 | 173.6° | 179.8° |
| H42 | C4 | C5 | H51 | 48.3° | 60.3° |
| H42 | C4 | C5 | H52 | 61.1° | 59.9° |
| C6 | C5 | H51 | H52 | 118.1° | 120.0° |
| C5 | C6 | N7 | H61 | 125.2° | 118.9° |
| C5 | C6 | N7 | H62 | 125.3° | 119.0° |
| C5 | C6 | H61 | H62 | 118.2° | 121.9° |
| C5 | C6 | N7 | C8 | 124.7° | 117.1° |
| H51 | C5 | C6 | N7 | 174.3° | 178.7° |
| H51 | C5 | C6 | H61 | 60.5° | 60.1° |
| H51 | C5 | C6 | H62 | 49.0° | 62.2° |
| H52 | C5 | C6 | N7 | 64.8° | 61.3° |
| H52 | C5 | C6 | H61 | 170.0° | 179.8° |
| H52 | C5 | C6 | H62 | 60.5° | 57.8° |
| N7 | C6 | H61 | H62 | 118.2° | 121.6° |
| C6 | N7 | C8 | O3 | 177.2° | 142.9° |
| C6 | N7 | C8 | C9 | 7.4° | 31.7° |
| H61 | C6 | N7 | C8 | 110.1° | 124.0° |
| H62 | C6 | N7 | C8 | 0.6° | 1.9° |
| N7 | C8 | O3 | C9 | 175.7° | 175.0° |
| N7 | C8 | C9 | O4 | 85.6° | 27.1° |
| N7 | C8 | C9 | C10 | 90.9° | 154.5° |
| O3 | C8 | C9 | O4 | 90.0° | 158.2° |
| O3 | C8 | C9 | C10 | 93.5° | 20.2° |
| C8 | C9 | O4 | C10 | 176.6° | 178.5° |
| C8 | C9 | C10 | O5 | 75.6° | 84.8° |
| C8 | C9 | C10 | O6 | 171.7° | 36.1° |
| C8 | C9 | C10 | C11 | 48.0° | 153.9° |
| O4 | C9 | C10 | O5 | 101.1° | 93.5° |
| O4 | C9 | C10 | O6 | 11.7° | 145.6° |
| O4 | C9 | C10 | C11 | 135.3° | 27.7° |
| C9 | C10 | O5 | O6 | 115.2° | 120.5° |
| C9 | C10 | O5 | C11 | 123.8° | 119.9° |
| C9 | C10 | O6 | C11 | 125.3° | 117.6° |
| C9 | C10 | O5 | C14 | 175.8° | 178.0° |
| C9 | C10 | O6 | HO6 | 180.0° | 62.4° |
| C9 | C10 | C11 | C12 | 166.1° | 178.0° |
| C9 | C10 | C11 | C43 | 66.7° | 62.7° |
| C9 | C10 | C11 | H11 | 47.9° | 57.1° |
| O5 | C10 | O6 | C11 | 122.6° | 120.6° |
| O5 | C10 | O6 | HO6 | 68.0° | 59.4° |
| O5 | C10 | C11 | C12 | 47.2° | 56.3° |
| O5 | C10 | C11 | C43 | 174.4° | 175.6° |
| O5 | C10 | C11 | H11 | 71.0° | 64.6° |
| C10 | O5 | C14 | C13 | 54.1° | 68.1° |
| C10 | O5 | C14 | C15 | 177.6° | 165.1° |
| C10 | O5 | C14 | H14 | 63.1° | 46.6° |
| O6 | C10 | O5 | C14 | 68.9° | 57.5° |
| O6 | C10 | C11 | C12 | 70.9° | 63.9° |
| O6 | C10 | C11 | C43 | 56.2° | 55.4° |
| O6 | C10 | C11 | H11 | 170.9° | 175.2° |
| C11 | C10 | O5 | C14 | 52.0° | 62.1° |
| C11 | C10 | O6 | HO6 | 54.6° | 180.0° |
| C10 | C11 | C12 | C43 | 127.6° | 119.9° |
| C10 | C11 | C12 | H11 | 117.6° | 121.1° |
| C10 | C11 | C43 | H11 | 117.0° | 120.0° |
| C10 | C11 | C12 | C13 | 50.6° | 54.7° |
| C10 | C11 | C12 | H121 | 74.6° | 174.2° |
| C10 | C11 | C12 | H122 | 175.9° | 64.9° |
| C10 | C11 | C43 | H431 | 179.9° | 179.3° |
| C10 | C11 | C43 | H432 | 54.7° | 60.8° |
| C10 | C11 | C43 | H433 | 54.8° | 59.2° |
| O5 | C14 | C13 | C12 | 55.6° | 65.7° |
| O5 | C14 | C13 | C15 | 115.6° | 129.0° |
| O5 | C14 | C13 | H14 | 124.9° | 115.9° |
| O5 | C14 | C13 | H131 | 179.1° | 53.4° |
| O5 | C14 | C13 | H132 | 69.6° | 174.9° |
| O5 | C14 | C15 | H14 | 124.8° | 119.2° |
| O5 | C14 | C15 | C16 | 170.7° | 74.6° |
| O5 | C14 | C15 | H151 | 64.0° | 164.0° |
| O5 | C14 | C15 | H152 | 45.4° | 47.1° |
| C12 | C11 | C43 | H11 | 117.7° | 119.1° |
| C11 | C12 | C13 | H121 | 125.3° | 119.6° |
| C11 | C12 | C13 | H122 | 125.2° | 119.6° |
| C11 | C12 | H121 | H122 | 118.0° | 120.8° |
| C11 | C12 | C13 | C14 | 57.5° | 57.8° |
| C11 | C12 | C13 | H131 | 177.2° | 61.2° |
| C11 | C12 | C13 | H132 | 67.7° | 176.9° |
| C12 | C11 | C43 | H431 | 54.8° | 59.9° |
| C12 | C11 | C43 | H432 | 70.5° | 60.0° |
| C12 | C11 | C43 | H433 | 180.0° | 180.0° |
| C43 | C11 | C12 | C13 | 178.3° | 174.6° |
| C43 | C11 | C12 | H121 | 53.0° | 65.9° |
| C43 | C11 | C12 | H122 | 56.5° | 55.0° |
| C11 | C43 | H431 | H432 | 125.4° | 119.9° |
| C11 | C43 | H431 | H433 | 125.2° | 120.1° |
| C11 | C43 | H432 | H433 | 116.5° | 120.1° |
| H11 | C11 | C12 | C13 | 67.0° | 66.4° |
| H11 | C11 | C12 | H121 | 167.8° | 53.2° |
| H11 | C11 | C12 | H122 | 58.3° | 174.0° |
| H11 | C11 | C43 | H431 | 62.9° | 59.2° |
| H11 | C11 | C43 | H432 | 171.7° | 179.1° |
| H11 | C11 | C43 | H433 | 62.2° | 60.8° |
| C13 | C12 | H121 | H122 | 118.1° | 120.8° |
| C12 | C13 | C14 | H131 | 125.3° | 119.1° |
| C12 | C13 | C14 | H132 | 125.2° | 119.3° |
| C12 | C13 | H131 | H132 | 116.8° | 121.9° |
| C12 | C13 | C14 | C15 | 171.3° | 165.3° |
| C12 | C13 | C14 | H14 | 69.2° | 50.2° |
| H121 | C12 | C13 | C14 | 67.7° | 177.3° |
| H121 | C12 | C13 | H131 | 57.6° | 58.4° |
| H121 | C12 | C13 | H132 | 167.1° | 63.5° |
| H122 | C12 | C13 | C14 | 177.3° | 61.8° |
| H122 | C12 | C13 | H131 | 52.0° | 179.2° |
| H122 | C12 | C13 | H132 | 57.5° | 57.4° |
| C14 | C13 | H131 | H132 | 116.8° | 121.4° |
| C13 | C14 | C15 | H14 | 117.5° | 114.8° |
| C13 | C14 | C15 | C16 | 71.6° | 51.4° |
| C13 | C14 | C15 | H151 | 53.7° | 70.0° |
| C13 | C14 | C15 | H152 | 163.1° | 173.1° |
| H131 | C13 | C14 | C15 | 63.5° | 75.6° |
| H131 | C13 | C14 | H14 | 56.0° | 169.3° |
| H132 | C13 | C14 | C15 | 46.0° | 45.9° |
| H132 | C13 | C14 | H14 | 165.6° | 69.1° |
| C14 | C15 | C16 | H151 | 125.3° | 121.1° |
| C14 | C15 | C16 | H152 | 125.3° | 121.2° |
| C14 | C15 | H151 | H152 | 116.7° | 116.6° |
| C14 | C15 | C16 | O7 | 67.3° | 89.4° |
| C14 | C15 | C16 | C17 | 172.7° | 151.7° |
| C14 | C15 | C16 | H16 | 52.5° | 32.3° |
| H14 | C14 | C15 | C16 | 45.9° | 166.2° |
| H14 | C14 | C15 | H151 | 171.2° | 44.8° |
| H14 | C14 | C15 | H152 | 79.4° | 72.1° |
| C16 | C15 | H151 | H152 | 116.8° | 118.1° |
| C15 | C16 | O7 | C17 | 117.7° | 117.7° |
| C15 | C16 | O7 | H16 | 122.0° | 121.7° |
| C15 | C16 | C17 | H16 | 122.0° | 119.7° |
| C15 | C16 | O7 | C50 | 162.0° | 152.3° |
| C15 | C16 | C17 | C18 | 108.9° | 122.0° |
| C15 | C16 | C17 | C44 | 68.9° | 57.2° |
| H151 | C15 | C16 | O7 | 167.5° | 31.6° |
| H151 | C15 | C16 | C17 | 47.4° | 87.3° |
| H151 | C15 | C16 | H16 | 72.8° | 153.4° |
| H152 | C15 | C16 | O7 | 58.0° | 149.4° |
| H152 | C15 | C16 | C17 | 62.0° | 30.5° |
| H152 | C15 | C16 | H16 | 177.8° | 88.8° |
| O7 | C16 | C17 | H16 | 119.9° | 120.9° |
| O7 | C16 | C17 | C18 | 133.0° | 118.6° |
| O7 | C16 | C17 | C44 | 49.3° | 62.1° |
| C16 | O7 | C50 | H501 | 180.0° | 180.0° |
| C16 | O7 | C50 | H502 | 54.7° | 60.0° |
| C16 | O7 | C50 | H503 | 54.7° | 60.0° |
| C17 | C16 | O7 | C50 | 80.3° | 90.1° |
| C16 | C17 | C18 | C44 | 177.6° | 179.3° |
| C16 | C17 | C18 | C19 | 164.0° | 178.3° |
| C16 | C17 | C18 | H18 | 16.0° | 2.0° |
| C16 | C17 | C44 | H441 | 179.9° | 116.1° |
| C16 | C17 | C44 | H442 | 54.7° | 123.9° |
| C16 | C17 | C44 | H443 | 54.7° | 4.0° |
| H16 | C16 | O7 | C50 | 40.0° | 30.5° |
| H16 | C16 | C17 | C18 | 13.1° | 2.3° |
| H16 | C16 | C17 | C44 | 169.2° | 176.9° |
| O7 | C50 | H501 | H502 | 125.2° | 120.0° |
| O7 | C50 | H501 | H503 | 125.2° | 120.0° |
| O7 | C50 | H502 | H503 | 116.3° | 120.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.7° |
| C17 | C18 | C19 | C20 | 174.2° | 179.0° |
| C17 | C18 | C19 | H19 | 5.8° | 1.1° |
| C18 | C17 | C44 | H441 | 2.3° | 64.6° |
| C18 | C17 | C44 | H442 | 122.9° | 55.4° |
| C18 | C17 | C44 | H443 | 127.7° | 175.3° |
| C44 | C17 | C18 | C19 | 18.4° | 1.0° |
| C44 | C17 | C18 | H18 | 161.6° | 178.8° |
| C17 | C44 | H441 | H442 | 125.2° | 120.0° |
| C17 | C44 | H441 | H443 | 125.3° | 120.0° |
| C17 | C44 | H442 | H443 | 114.5° | 120.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 155.2° | 177.1° |
| C18 | C19 | C20 | H20 | 24.7° | 3.4° |
| H18 | C18 | C19 | C20 | 5.8° | 1.3° |
| H18 | C18 | C19 | H19 | 174.1° | 178.6° |
| C19 | C20 | C21 | H20 | 180.0° | 179.5° |
| C19 | C20 | C21 | C22 | 174.4° | 177.8° |
| C19 | C20 | C21 | H21 | 5.7° | 2.0° |
| H19 | C19 | C20 | C21 | 24.7° | 3.0° |
| H19 | C19 | C20 | H20 | 155.3° | 176.5° |
| C20 | C21 | C22 | H21 | 179.9° | 179.8° |
| C20 | C21 | C22 | C23 | 180.0° | 179.6° |
| C20 | C21 | C22 | H22 | 0.0° | 0.7° |
| H20 | C20 | C21 | C22 | 5.7° | 2.7° |
| H20 | C20 | C21 | H21 | 174.3° | 177.5° |
| C21 | C22 | C23 | H22 | 180.0° | 179.7° |
| C21 | C22 | C23 | C24 | 109.9° | 140.6° |
| C21 | C22 | C23 | C45 | 129.9° | 100.0° |
| C21 | C22 | C23 | H23 | 11.2° | 20.2° |
| H21 | C21 | C22 | C23 | 0.0° | 0.2° |
| H21 | C21 | C22 | H22 | 180.0° | 179.5° |
| C22 | C23 | C24 | C45 | 119.6° | 119.7° |
| C22 | C23 | C24 | H23 | 121.6° | 120.2° |
| C22 | C23 | C45 | H23 | 121.8° | 120.3° |
| C22 | C23 | C24 | C25 | 56.1° | 71.9° |
| C22 | C23 | C24 | H241 | 178.6° | 48.4° |
| C22 | C23 | C24 | H242 | 69.2° | 168.3° |
| C22 | C23 | C45 | H451 | 180.0° | 60.7° |
| C22 | C23 | C45 | H452 | 54.7° | 59.3° |
| C22 | C23 | C45 | H453 | 54.8° | 179.3° |
| H22 | C22 | C23 | C24 | 70.1° | 39.7° |
| H22 | C22 | C23 | C45 | 50.1° | 79.7° |
| H22 | C22 | C23 | H23 | 168.8° | 160.1° |
| C24 | C23 | C45 | H23 | 121.2° | 120.4° |
| C23 | C24 | C25 | H241 | 125.3° | 120.4° |
| C23 | C24 | C25 | H242 | 125.3° | 120.1° |
| C23 | C24 | H241 | H242 | 115.0° | 119.9° |
| C23 | C24 | C25 | C26 | 158.2° | 155.1° |
| C23 | C24 | C25 | C46 | 73.7° | 85.1° |
| C23 | C24 | C25 | H25 | 37.8° | 34.8° |
| C24 | C23 | C45 | H451 | 63.0° | 180.0° |
| C24 | C23 | C45 | H452 | 171.8° | 60.0° |
| C24 | C23 | C45 | H453 | 62.2° | 60.0° |
| C45 | C23 | C24 | C25 | 175.7° | 168.5° |
| C45 | C23 | C24 | H241 | 59.0° | 71.3° |
| C45 | C23 | C24 | H242 | 50.4° | 48.6° |
| C23 | C45 | H451 | H452 | 125.2° | 120.0° |
| C23 | C45 | H451 | H453 | 125.2° | 120.0° |
| C23 | C45 | H452 | H453 | 117.8° | 120.0° |
| H23 | C23 | C24 | C25 | 65.5° | 48.3° |
| H23 | C23 | C24 | H241 | 59.7° | 168.6° |
| H23 | C23 | C24 | H242 | 169.2° | 71.5° |
| H23 | C23 | C45 | H451 | 58.2° | 59.6° |
| H23 | C23 | C45 | H452 | 67.0° | 179.6° |
| H23 | C23 | C45 | H453 | 176.5° | 60.4° |
| C25 | C24 | H241 | H242 | 114.9° | 119.3° |
| C24 | C25 | C26 | C46 | 131.1° | 120.0° |
| C24 | C25 | C26 | H25 | 116.4° | 120.5° |
| C24 | C25 | C46 | H25 | 114.7° | 120.1° |
| C24 | C25 | C26 | O8 | 80.4° | 3.6° |
| C24 | C25 | C26 | C27 | 89.0° | 176.1° |
| C24 | C25 | C46 | H461 | 180.0° | 179.7° |
| C24 | C25 | C46 | H462 | 54.7° | 59.7° |
| C24 | C25 | C46 | H463 | 54.8° | 60.4° |
| H241 | C24 | C25 | C26 | 76.5° | 34.7° |
| H241 | C24 | C25 | C46 | 51.6° | 154.5° |
| H241 | C24 | C25 | H25 | 163.0° | 85.6° |
| H242 | C24 | C25 | C26 | 32.9° | 84.8° |
| H242 | C24 | C25 | C46 | 161.0° | 35.0° |
| H242 | C24 | C25 | H25 | 87.6° | 154.9° |
| C26 | C25 | C46 | H25 | 119.7° | 119.5° |
| C25 | C26 | O8 | C27 | 169.4° | 179.7° |
| C25 | C26 | C27 | O9 | 155.9° | 55.0° |
| C25 | C26 | C27 | C28 | 86.2° | 175.5° |
| C25 | C26 | C27 | H27 | 34.0° | 64.3° |
| C26 | C25 | C46 | H461 | 54.3° | 59.9° |
| C26 | C25 | C46 | H462 | 179.6° | 179.9° |
| C26 | C25 | C46 | H463 | 70.9° | 60.0° |
| C46 | C25 | C26 | O8 | 50.7° | 116.4° |
| C46 | C25 | C26 | C27 | 139.8° | 63.9° |
| C25 | C46 | H461 | H462 | 125.3° | 120.0° |
| C25 | C46 | H461 | H463 | 125.2° | 120.0° |
| C25 | C46 | H462 | H463 | 115.0° | 120.0° |
| H25 | C25 | C26 | O8 | 163.1° | 124.1° |
| H25 | C25 | C26 | C27 | 27.4° | 55.6° |
| H25 | C25 | C46 | H461 | 65.3° | 59.6° |
| H25 | C25 | C46 | H462 | 60.0° | 60.4° |
| H25 | C25 | C46 | H463 | 169.5° | 179.5° |
| O8 | C26 | C27 | O9 | 13.4° | 124.7° |
| O8 | C26 | C27 | C28 | 104.5° | 4.2° |
| O8 | C26 | C27 | H27 | 135.3° | 116.0° |
| C26 | C27 | O9 | C28 | 120.0° | 121.1° |
| C26 | C27 | O9 | H27 | 119.9° | 119.3° |
| C26 | C27 | C28 | H27 | 120.0° | 120.2° |
| C26 | C27 | O9 | C51 | 118.6° | 88.9° |
| C26 | C27 | C28 | O10 | 40.5° | 80.4° |
| C26 | C27 | C28 | C29 | 82.2° | 159.9° |
| C26 | C27 | C28 | H28 | 159.2° | 40.3° |
| O9 | C27 | C28 | H27 | 121.9° | 119.6° |
| O9 | C27 | C28 | O10 | 77.7° | 159.3° |
| O9 | C27 | C28 | C29 | 159.6° | 39.7° |
| O9 | C27 | C28 | H28 | 41.0° | 80.0° |
| C27 | O9 | C51 | H511 | 180.0° | 180.0° |
| C27 | O9 | C51 | H512 | 54.8° | 60.0° |
| C27 | O9 | C51 | H513 | 54.8° | 60.0° |
| C28 | C27 | O9 | C51 | 121.3° | 150.0° |
| C27 | C28 | O10 | C29 | 121.9° | 119.7° |
| C27 | C28 | O10 | H28 | 119.6° | 120.6° |
| C27 | C28 | C29 | H28 | 119.7° | 119.9° |
| C27 | C28 | O10 | HO1 | 180.0° | 179.7° |
| C27 | C28 | C29 | C30 | 110.1° | 109.5° |
| C27 | C28 | C29 | C47 | 68.0° | 70.1° |
| H27 | C27 | O9 | C51 | 1.3° | 30.4° |
| H27 | C27 | C28 | O10 | 160.4° | 39.8° |
| H27 | C27 | C28 | C29 | 37.7° | 79.9° |
| H27 | C27 | C28 | H28 | 80.9° | 160.4° |
| O9 | C51 | H511 | H512 | 125.2° | 120.0° |
| O9 | C51 | H511 | H513 | 125.2° | 120.0° |
| O9 | C51 | H512 | H513 | 114.5° | 120.0° |
| O10 | C28 | C29 | H28 | 118.6° | 120.2° |
| O10 | C28 | C29 | C30 | 11.6° | 130.6° |
| O10 | C28 | C29 | C47 | 170.3° | 49.8° |
| C29 | C28 | O10 | HO1 | 58.2° | 60.0° |
| C28 | C29 | C30 | C47 | 177.9° | 179.6° |
| C28 | C29 | C30 | C31 | 172.9° | 178.7° |
| C28 | C29 | C30 | H30 | 7.1° | 1.3° |
| C28 | C29 | C47 | H471 | 180.0° | 179.5° |
| C28 | C29 | C47 | H472 | 54.8° | 59.6° |
| C28 | C29 | C47 | H473 | 54.7° | 60.4° |
| H28 | C28 | O10 | HO1 | 60.3° | 59.7° |
| H28 | C28 | C29 | C30 | 130.2° | 10.4° |
| H28 | C28 | C29 | C47 | 51.7° | 170.0° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 99.4° | 94.4° |
| C29 | C30 | C31 | C48 | 138.8° | 146.5° |
| C29 | C30 | C31 | H31 | 18.9° | 26.2° |
| C30 | C29 | C47 | H471 | 2.0° | 0.0° |
| C30 | C29 | C47 | H472 | 127.2° | 120.0° |
| C30 | C29 | C47 | H473 | 123.3° | 120.1° |
| C47 | C29 | C30 | C31 | 9.2° | 0.8° |
| C47 | C29 | C30 | H30 | 170.8° | 179.2° |
| C29 | C47 | H471 | H472 | 125.2° | 119.9° |
| C29 | C47 | H471 | H473 | 125.2° | 120.0° |
| C29 | C47 | H472 | H473 | 116.1° | 120.0° |
| C30 | C31 | C32 | C48 | 117.9° | 118.6° |
| C30 | C31 | C32 | H31 | 122.2° | 121.8° |
| C30 | C31 | C48 | H31 | 122.2° | 122.1° |
| C30 | C31 | C32 | O11 | 109.6° | 33.1° |
| C30 | C31 | C32 | C33 | 75.4° | 146.6° |
| C30 | C31 | C48 | H481 | 180.0° | 62.4° |
| C30 | C31 | C48 | H482 | 54.7° | 57.6° |
| C30 | C31 | C48 | H483 | 54.8° | 177.6° |
| H30 | C30 | C31 | C32 | 80.6° | 85.6° |
| H30 | C30 | C31 | C48 | 41.3° | 33.5° |
| H30 | C30 | C31 | H31 | 161.1° | 153.8° |
| C32 | C31 | C48 | H31 | 118.3° | 120.3° |
| C31 | C32 | O11 | C33 | 174.8° | 179.7° |
| C31 | C32 | C33 | C34 | 142.0° | 167.5° |
| C31 | C32 | C33 | H331 | 16.8° | 72.9° |
| C31 | C32 | C33 | H332 | 92.8° | 47.4° |
| C32 | C31 | C48 | H481 | 60.5° | 180.0° |
| C32 | C31 | C48 | H482 | 174.2° | 60.0° |
| C32 | C31 | C48 | H483 | 64.7° | 60.0° |
| C48 | C31 | C32 | O11 | 8.3° | 151.7° |
| C48 | C31 | C32 | C33 | 166.7° | 28.0° |
| C31 | C48 | H481 | H482 | 125.3° | 120.0° |
| C31 | C48 | H481 | H483 | 125.2° | 120.0° |
| C31 | C48 | H482 | H483 | 119.3° | 120.0° |
| H31 | C31 | C32 | O11 | 128.2° | 88.7° |
| H31 | C31 | C32 | C33 | 46.8° | 91.6° |
| H31 | C31 | C48 | H481 | 57.8° | 59.7° |
| H31 | C31 | C48 | H482 | 67.5° | 179.7° |
| H31 | C31 | C48 | H483 | 177.0° | 60.3° |
| O11 | C32 | C33 | C34 | 43.0° | 12.8° |
| O11 | C32 | C33 | H331 | 168.2° | 106.8° |
| O11 | C32 | C33 | H332 | 82.2° | 132.9° |
| C32 | C33 | C34 | H331 | 125.2° | 120.2° |
| C32 | C33 | C34 | H332 | 125.3° | 120.7° |
| C32 | C33 | H331 | H332 | 116.9° | 120.6° |
| C32 | C33 | C34 | C35 | 160.5° | 78.9° |
| C32 | C33 | C34 | H34 | 41.8° | 41.0° |
| C34 | C33 | H331 | H332 | 116.8° | 118.8° |
| C33 | C34 | C35 | H34 | 119.6° | 119.7° |
| C33 | C34 | C35 | C36 | 77.2° | 179.7° |
| C33 | C34 | C35 | C49 | 55.4° | 59.7° |
| C33 | C34 | C35 | H35 | 169.6° | 60.3° |
| H331 | C33 | C34 | C35 | 35.2° | 160.9° |
| H331 | C33 | C34 | H34 | 83.4° | 79.3° |
| H332 | C33 | C34 | C35 | 74.3° | 41.8° |
| H332 | C33 | C34 | H34 | 167.1° | 161.7° |
| C34 | C35 | C36 | C49 | 134.2° | 120.0° |
| C34 | C35 | C36 | H35 | 110.6° | 120.0° |
| C34 | C35 | C49 | H35 | 110.9° | 120.0° |
| C34 | C35 | C36 | C37 | 54.7° | 174.2° |
| C34 | C35 | C36 | H361 | 70.5° | 65.8° |
| C34 | C35 | C36 | H362 | 179.9° | 54.2° |
| C34 | C35 | C49 | H491 | 180.0° | 54.4° |
| C34 | C35 | C49 | H492 | 54.7° | 65.5° |
| C34 | C35 | C49 | H493 | 54.8° | 174.5° |
| H34 | C34 | C35 | C36 | 42.3° | 60.0° |
| H34 | C34 | C35 | C49 | 175.0° | 60.0° |
| H34 | C34 | C35 | H35 | 70.8° | 180.0° |
| C36 | C35 | C49 | H35 | 114.5° | 120.0° |
| C35 | C36 | C37 | H361 | 125.3° | 120.0° |
| C35 | C36 | C37 | H362 | 125.2° | 120.1° |
| C35 | C36 | H361 | H362 | 115.1° | 120.0° |
| C35 | C36 | C37 | C38 | 176.6° | 65.8° |
| C35 | C36 | C37 | C42 | 54.6° | 174.3° |
| C35 | C36 | C37 | H37 | 58.6° | 54.2° |
| C36 | C35 | C49 | H491 | 45.4° | 65.6° |
| C36 | C35 | C49 | H492 | 79.9° | 174.5° |
| C36 | C35 | C49 | H493 | 170.6° | 54.5° |
| C49 | C35 | C36 | C37 | 171.1° | 65.8° |
| C49 | C35 | C36 | H361 | 63.7° | 54.2° |
| C49 | C35 | C36 | H362 | 45.9° | 174.2° |
| C35 | C49 | H491 | H492 | 125.3° | 120.0° |
| C35 | C49 | H491 | H493 | 125.2° | 120.0° |
| C35 | C49 | H492 | H493 | 116.0° | 120.0° |
| H35 | C35 | C36 | C37 | 55.9° | 54.2° |
| H35 | C35 | C36 | H361 | 178.9° | 174.2° |
| H35 | C35 | C36 | H362 | 69.3° | 65.8° |
| H35 | C35 | C49 | H491 | 69.1° | 174.5° |
| H35 | C35 | C49 | H492 | 165.6° | 54.5° |
| H35 | C35 | C49 | H493 | 56.1° | 65.5° |
| C37 | C36 | H361 | H362 | 115.1° | 119.9° |
| C36 | C37 | C38 | C42 | 130.6° | 120.0° |
| C36 | C37 | C38 | H37 | 115.7° | 119.9° |
| C36 | C37 | C42 | H37 | 114.6° | 120.1° |
| C36 | C37 | C38 | C39 | 174.6° | 180.0° |
| C36 | C37 | C38 | H381 | 49.3° | 60.1° |
| C36 | C37 | C38 | H382 | 60.2° | 60.0° |
| C36 | C37 | C42 | C41 | 175.0° | 180.0° |
| C36 | C37 | C42 | H421 | 49.7° | 59.9° |
| C36 | C37 | C42 | H422 | 59.8° | 60.0° |
| H361 | C36 | C37 | C38 | 51.4° | 174.2° |
| H361 | C36 | C37 | C42 | 179.8° | 54.2° |
| H361 | C36 | C37 | H37 | 66.6° | 65.9° |
| H362 | C36 | C37 | C38 | 58.2° | 54.3° |
| H362 | C36 | C37 | C42 | 70.6° | 65.7° |
| H362 | C36 | C37 | H37 | 176.2° | 174.2° |
| C38 | C37 | C42 | H37 | 117.6° | 120.0° |
| C37 | C38 | C39 | H381 | 125.3° | 120.0° |
| C37 | C38 | C39 | H382 | 125.2° | 120.0° |
| C37 | C38 | H381 | H382 | 117.6° | 120.1° |
| C37 | C38 | C39 | O12 | 178.0° | 180.0° |
| C37 | C38 | C39 | C40 | 59.1° | 60.0° |
| C37 | C38 | C39 | H39 | 58.8° | 60.1° |
| C38 | C37 | C42 | C41 | 47.2° | 60.0° |
| C38 | C37 | C42 | H421 | 78.1° | 60.0° |
| C38 | C37 | C42 | H422 | 172.4° | 180.0° |
| C42 | C37 | C38 | C39 | 54.8° | 60.0° |
| C42 | C37 | C38 | H381 | 179.9° | 60.0° |
| C42 | C37 | C38 | H382 | 70.4° | 180.0° |
| C37 | C42 | C41 | C40 | 44.0° | 60.0° |
| C37 | C42 | C41 | H421 | 125.3° | 120.0° |
| C37 | C42 | C41 | H422 | 125.3° | 120.0° |
| C37 | C42 | C41 | H411 | 81.3° | 180.0° |
| C37 | C42 | C41 | H412 | 169.2° | 60.0° |
| C37 | C42 | H421 | H422 | 116.6° | 120.0° |
| H37 | C37 | C38 | C39 | 59.0° | 60.1° |
| H37 | C37 | C38 | H381 | 66.3° | 180.0° |
| H37 | C37 | C38 | H382 | 175.9° | 60.0° |
| H37 | C37 | C42 | C41 | 70.4° | 59.9° |
| H37 | C37 | C42 | H421 | 164.4° | 180.0° |
| H37 | C37 | C42 | H422 | 54.8° | 60.1° |
| C39 | C38 | H381 | H382 | 117.6° | 120.0° |
| C38 | C39 | O12 | C40 | 122.4° | 120.0° |
| C38 | C39 | O12 | H39 | 119.7° | 119.9° |
| C38 | C39 | C40 | H39 | 119.7° | 120.0° |
| C38 | C39 | O12 | C52 | 126.0° | 150.0° |
| C38 | C39 | C40 | O13 | 176.9° | 180.0° |
| C38 | C39 | C40 | C41 | 55.7° | 60.0° |
| C38 | C39 | C40 | H40 | 63.0° | 60.0° |
| H381 | C38 | C39 | O12 | 52.8° | 60.0° |
| H381 | C38 | C39 | C40 | 175.6° | 60.0° |
| H381 | C38 | C39 | H39 | 66.4° | 180.0° |
| H382 | C38 | C39 | O12 | 56.8° | 60.0° |
| H382 | C38 | C39 | C40 | 66.1° | 180.0° |
| H382 | C38 | C39 | H39 | 176.0° | 60.0° |
| O12 | C39 | C40 | H39 | 119.0° | 120.0° |
| O12 | C39 | C40 | O13 | 61.8° | 60.0° |
| O12 | C39 | C40 | C41 | 177.1° | 180.0° |
| O12 | C39 | C40 | H40 | 58.3° | 60.0° |
| C39 | O12 | C52 | H521 | 180.0° | 180.0° |
| C39 | O12 | C52 | H522 | 54.8° | 59.9° |
| C39 | O12 | C52 | H523 | 54.7° | 60.0° |
| C40 | C39 | O12 | C52 | 111.6° | 90.0° |
| C39 | C40 | O13 | C41 | 123.5° | 120.0° |
| C39 | C40 | O13 | H40 | 117.6° | 120.0° |
| C39 | C40 | C41 | H40 | 117.5° | 120.0° |
| C39 | C40 | O13 | HO3 | 180.0° | 180.0° |
| C39 | C40 | C41 | C42 | 48.3° | 60.0° |
| C39 | C40 | C41 | H411 | 77.0° | 180.0° |
| C39 | C40 | C41 | H412 | 173.6° | 60.0° |
| H39 | C39 | O12 | C52 | 6.3° | 30.0° |
| H39 | C39 | C40 | O13 | 57.2° | 60.0° |
| H39 | C39 | C40 | C41 | 63.9° | 60.0° |
| H39 | C39 | C40 | H40 | 177.3° | 180.0° |
| O12 | C52 | H521 | H522 | 125.2° | 120.1° |
| O12 | C52 | H521 | H523 | 125.3° | 120.0° |
| O12 | C52 | H522 | H523 | 115.8° | 120.0° |
| O13 | C40 | C41 | H40 | 120.2° | 120.0° |
| O13 | C40 | C41 | C42 | 170.6° | 180.0° |
| O13 | C40 | C41 | H411 | 45.3° | 60.0° |
| O13 | C40 | C41 | H412 | 64.1° | 60.0° |
| C41 | C40 | O13 | HO3 | 56.5° | 60.0° |
| C40 | C41 | C42 | H411 | 125.3° | 120.0° |
| C40 | C41 | C42 | H412 | 125.3° | 120.0° |
| C40 | C41 | H411 | H412 | 116.3° | 120.0° |
| C40 | C41 | C42 | H421 | 81.3° | 60.0° |
| C40 | C41 | C42 | H422 | 169.3° | 180.0° |
| H40 | C40 | O13 | HO3 | 62.4° | 60.0° |
| H40 | C40 | C41 | C42 | 69.2° | 60.0° |
| H40 | C40 | C41 | H411 | 165.5° | 60.0° |
| H40 | C40 | C41 | H412 | 56.1° | 180.0° |
| C42 | C41 | H411 | H412 | 116.4° | 120.0° |
| C41 | C42 | H421 | H422 | 116.4° | 120.0° |
| H411 | C41 | C42 | H421 | 153.4° | 60.0° |
| H411 | C41 | C42 | H422 | 43.9° | 60.0° |
| H412 | C41 | C42 | H421 | 43.9° | 180.0° |
| H412 | C41 | C42 | H422 | 65.5° | 60.0° |
| H431 | C43 | H432 | H433 | 116.4° | 120.0° |
| H441 | C44 | H442 | H443 | 114.6° | 120.0° |
| H451 | C45 | H452 | H453 | 117.9° | 120.0° |
| H461 | C46 | H462 | H463 | 114.9° | 120.0° |
| H471 | C47 | H472 | H473 | 116.2° | 120.1° |
| H481 | C48 | H482 | H483 | 119.2° | 120.0° |
| H491 | C49 | H492 | H493 | 116.1° | 120.0° |
| H501 | C50 | H502 | H503 | 116.4° | 120.0° |
| H511 | C51 | H512 | H513 | 114.5° | 120.0° |
| H521 | C52 | H522 | H523 | 115.8° | 119.9° |
