RAD
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 | 1.20Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| O1 | C33 | sing | 1.45Å | 1.40Å | |
| C2 | C3 | sing | 1.54Å | 1.53Å | |
| C2 | N7 | sing | 1.46Å | 1.47Å | |
| C2 | H2 | sing | 1.10Å | 1.11Å | |
| C3 | C4 | sing | 1.52Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.52Å | 1.51Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | 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 | 1.49Å | 1.46Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| N7 | C7 | sing | 1.33Å | 1.34Å | |
| C8 | C9 | sing | 1.48Å | 1.53Å | |
| C8 | O4 | doub | 1.22Å | 1.24Å | |
| C8 | C7 | sing | 1.46Å | 1.40Å | |
| O3 | C7 | doub | 1.22Å | 1.23Å | |
| C9 | C10 | sing | 1.54Å | 1.55Å | |
| C9 | O5 | sing | 1.44Å | 1.41Å | |
| C9 | O6 | sing | 1.44Å | 1.44Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C42 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.10Å | 1.12Å | |
| O5 | C13 | sing | 1.44Å | 1.39Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | 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 | 1.51Å | 1.53Å | |
| C13 | H13 | sing | 1.11Å | 1.11Å | |
| C14 | C15 | sing | 1.52Å | 1.53Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.52Å | 1.51Å | |
| C15 | O7 | sing | 1.43Å | 1.38Å | |
| C15 | H15 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | doub | 1.33Å | 1.32Å | |
| C16 | C43 | sing | 1.51Å | 1.54Å | |
| O7 | C49 | sing | 1.43Å | 1.39Å | |
| C17 | C18 | sing | 1.46Å | 1.46Å | |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | doub | 1.35Å | 1.32Å | |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | sing | 1.47Å | 1.46Å | |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | doub | 1.33Å | 1.31Å | |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C44 | sing | 1.53Å | 1.52Å | |
| C22 | H22 | sing | 1.09Å | 1.12Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C24 | C45 | sing | 1.53Å | 1.52Å | |
| C24 | H24 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C25 | O8 | doub | 1.21Å | 1.22Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | O9 | sing | 1.43Å | 1.39Å | |
| C26 | H26 | sing | 1.09Å | 1.11Å | |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| C27 | O10 | sing | 1.43Å | 1.43Å | |
| C27 | H27 | sing | 1.09Å | 1.11Å | |
| O9 | C50 | sing | 1.43Å | 1.38Å | |
| C28 | C29 | doub | 1.30Å | 1.33Å | |
| C28 | C46 | sing | 1.51Å | 1.51Å | |
| O10 | HOA | sing | 0.97Å | 0.95Å | |
| C29 | C30 | sing | 1.50Å | 1.51Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.51Å | 1.53Å | |
| C30 | C47 | sing | 1.53Å | 1.52Å | |
| C30 | H30 | sing | 1.09Å | 1.12Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C31 | O11 | doub | 1.21Å | 1.23Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C33 | H33 | sing | 1.09Å | 1.12Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | C48 | sing | 1.53Å | 1.52Å | |
| C34 | H34 | sing | 1.09Å | 1.12Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | C41 | sing | 1.53Å | 1.53Å | |
| C36 | H36 | sing | 1.09Å | 1.12Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C37 | H371 | sing | 1.09Å | 1.12Å | |
| C37 | H372 | sing | 1.09Å | 1.11Å | |
| C38 | C39 | sing | 1.53Å | 1.56Å | |
| C38 | O12 | sing | 1.43Å | 1.39Å | |
| C38 | H38 | sing | 1.09Å | 1.12Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C39 | O13 | sing | 1.43Å | 1.43Å | |
| C39 | H39 | sing | 1.09Å | 1.11Å | |
| O12 | C51 | sing | 1.43Å | 1.40Å | |
| C40 | C41 | sing | 1.53Å | 1.51Å | |
| C40 | H401 | sing | 1.09Å | 1.12Å | |
| C40 | H402 | sing | 1.09Å | 1.11Å | |
| O13 | HOD | sing | 0.97Å | 0.95Å | |
| C41 | H411 | sing | 1.09Å | 1.11Å | |
| C41 | H412 | sing | 1.09Å | 1.11Å | |
| C42 | H421 | sing | 1.09Å | 1.11Å | |
| C42 | H422 | sing | 1.09Å | 1.11Å | |
| C42 | H423 | sing | 1.09Å | 1.12Å | |
| C43 | H431 | sing | 1.09Å | 1.12Å | |
| C43 | H432 | sing | 1.09Å | 1.12Å | |
| C43 | H433 | sing | 1.09Å | 1.11Å | |
| C44 | H441 | sing | 1.09Å | 1.12Å | |
| C44 | H442 | sing | 1.09Å | 1.11Å | |
| 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 | 1.12Å | |
| C46 | H461 | sing | 1.09Å | 1.11Å | |
| 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 | 1.12Å | |
| C48 | H481 | sing | 1.09Å | 1.11Å | |
| C48 | H482 | sing | 1.09Å | 1.12Å | |
| C48 | H483 | sing | 1.09Å | 1.12Å | |
| C49 | C52 | sing | 1.53Å | 1.50Å | |
| C49 | H491 | sing | 1.09Å | 1.11Å | |
| C49 | H492 | sing | 1.09Å | 1.11Å | |
| C50 | H501 | sing | 1.09Å | 1.12Å | |
| C50 | H502 | sing | 1.09Å | 1.12Å | |
| C50 | H503 | sing | 1.09Å | 1.11Å | |
| C51 | H511 | sing | 1.09Å | 1.11Å | |
| 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 117.5° | 121.6° |
| O1 | C1 | C2 | 122.5° | 117.2° |
| C1 | O1 | C33 | 124.6° | 120.3° |
| O2 | C1 | C2 | 120.0° | 121.1° |
| C1 | C2 | C3 | 112.0° | 108.7° |
| C1 | C2 | N7 | 114.5° | 112.8° |
| C1 | C2 | H2 | 102.5° | 108.6° |
| O1 | C33 | C32 | 109.8° | 108.5° |
| O1 | C33 | C34 | 107.3° | 109.5° |
| O1 | C33 | H33 | 111.0° | 110.2° |
| C3 | C2 | N7 | 103.8° | 109.5° |
| C3 | C2 | H2 | 113.5° | 108.4° |
| C2 | C3 | C4 | 114.8° | 110.4° |
| C2 | C3 | H31 | 110.3° | 109.3° |
| C2 | C3 | H32 | 110.3° | 109.1° |
| N7 | C2 | H2 | 110.9° | 108.7° |
| C2 | N7 | C6 | 119.0° | 117.8° |
| C2 | N7 | C7 | 118.7° | 125.3° |
| C4 | C3 | H31 | 110.2° | 109.5° |
| C4 | C3 | H32 | 110.3° | 109.3° |
| C3 | C4 | C5 | 110.4° | 112.4° |
| C3 | C4 | H41 | 111.9° | 108.9° |
| C3 | C4 | H42 | 111.9° | 108.9° |
| H31 | C3 | H32 | 100.0° | 109.2° |
| C5 | C4 | H41 | 111.9° | 108.7° |
| C5 | C4 | H42 | 111.9° | 108.9° |
| C4 | C5 | C6 | 110.3° | 111.7° |
| C4 | C5 | H51 | 111.9° | 109.0° |
| C4 | C5 | H52 | 111.9° | 108.9° |
| H41 | C4 | H42 | 98.4° | 109.0° |
| C6 | C5 | H51 | 111.9° | 109.1° |
| C6 | C5 | H52 | 112.0° | 109.0° |
| C5 | C6 | N7 | 106.2° | 108.0° |
| C5 | C6 | H61 | 113.4° | 109.8° |
| C5 | C6 | H62 | 113.4° | 110.0° |
| H51 | C5 | H52 | 98.5° | 109.2° |
| N7 | C6 | H61 | 113.4° | 109.2° |
| N7 | C6 | H62 | 113.5° | 109.7° |
| C6 | N7 | C7 | 120.5° | 116.9° |
| H61 | C6 | H62 | 97.0° | 110.0° |
| N7 | C7 | C8 | 124.1° | 126.0° |
| N7 | C7 | O3 | 121.4° | 117.5° |
| C9 | C8 | O4 | 120.5° | 115.2° |
| C9 | C8 | C7 | 120.7° | 130.7° |
| C8 | C9 | C10 | 110.2° | 109.5° |
| C8 | C9 | O5 | 104.8° | 112.4° |
| C8 | C9 | O6 | 111.2° | 110.0° |
| O4 | C8 | C7 | 118.8° | 114.1° |
| C8 | C7 | O3 | 114.5° | 116.4° |
| C10 | C9 | O5 | 109.3° | 108.7° |
| C10 | C9 | O6 | 109.6° | 108.4° |
| C9 | C10 | C11 | 110.0° | 110.2° |
| C9 | C10 | C42 | 110.6° | 110.3° |
| C9 | C10 | H10 | 108.4° | 108.9° |
| O5 | C9 | O6 | 111.7° | 107.8° |
| C9 | O5 | C13 | 114.5° | 112.1° |
| C9 | O6 | HO6 | 111.2° | 114.0° |
| C11 | C10 | C42 | 109.5° | 110.6° |
| C11 | C10 | H10 | 109.5° | 108.7° |
| C10 | C11 | C12 | 114.5° | 111.2° |
| C10 | C11 | H111 | 110.4° | 109.4° |
| C10 | C11 | H112 | 110.4° | 109.5° |
| C42 | C10 | H10 | 108.9° | 108.0° |
| C10 | C42 | H421 | 110.5° | 109.5° |
| C10 | C42 | H422 | 111.8° | 109.5° |
| C10 | C42 | H423 | 111.8° | 109.5° |
| O5 | C13 | C12 | 110.6° | 109.1° |
| O5 | C13 | C14 | 105.1° | 112.6° |
| O5 | C13 | H13 | 111.9° | 107.4° |
| C12 | C11 | H111 | 110.4° | 109.2° |
| C12 | C11 | H112 | 110.4° | 109.2° |
| C11 | C12 | C13 | 114.2° | 108.7° |
| C11 | C12 | H121 | 110.5° | 110.0° |
| C11 | C12 | H122 | 110.5° | 109.0° |
| H111 | C11 | H112 | 99.9° | 108.4° |
| C13 | C12 | H121 | 110.5° | 110.1° |
| C13 | C12 | H122 | 110.4° | 110.2° |
| C12 | C13 | C14 | 110.4° | 113.1° |
| C12 | C13 | H13 | 106.8° | 107.1° |
| H121 | C12 | H122 | 99.8° | 108.8° |
| C14 | C13 | H13 | 112.1° | 107.2° |
| C13 | C14 | C15 | 116.7° | 113.8° |
| C13 | C14 | H141 | 109.6° | 108.6° |
| C13 | C14 | H142 | 109.6° | 108.5° |
| C15 | C14 | H141 | 109.6° | 108.9° |
| C15 | C14 | H142 | 109.6° | 108.9° |
| C14 | C15 | C16 | 107.8° | 108.0° |
| C14 | C15 | O7 | 110.8° | 110.0° |
| C14 | C15 | H15 | 109.2° | 110.6° |
| H141 | C14 | H142 | 100.5° | 108.0° |
| C16 | C15 | O7 | 107.9° | 108.4° |
| C16 | C15 | H15 | 112.0° | 109.8° |
| C15 | C16 | C17 | 120.8° | 120.6° |
| C15 | C16 | C43 | 112.8° | 118.4° |
| O7 | C15 | H15 | 109.1° | 110.0° |
| C15 | O7 | C49 | 120.5° | 114.0° |
| C17 | C16 | C43 | 126.3° | 121.0° |
| C16 | C17 | C18 | 125.5° | 121.6° |
| C16 | C17 | H17 | 111.8° | 119.3° |
| C16 | C43 | H431 | 112.8° | 109.5° |
| C16 | C43 | H432 | 111.0° | 109.4° |
| C16 | C43 | H433 | 111.0° | 109.4° |
| O7 | C49 | C52 | 99.5° | 109.5° |
| O7 | C49 | H491 | 116.0° | 109.5° |
| O7 | C49 | H492 | 116.0° | 109.5° |
| C18 | C17 | H17 | 122.7° | 119.1° |
| C17 | C18 | C19 | 119.7° | 120.3° |
| C17 | C18 | H18 | 125.1° | 121.4° |
| C19 | C18 | H18 | 115.2° | 118.3° |
| C18 | C19 | C20 | 121.2° | 119.3° |
| C18 | C19 | H19 | 114.5° | 120.4° |
| C20 | C19 | H19 | 124.4° | 120.3° |
| C19 | C20 | C21 | 121.9° | 120.1° |
| C19 | C20 | H20 | 124.5° | 119.5° |
| C21 | C20 | H20 | 113.6° | 120.4° |
| C20 | C21 | C22 | 121.7° | 120.2° |
| C20 | C21 | H21 | 112.1° | 120.0° |
| C22 | C21 | H21 | 126.2° | 119.8° |
| C21 | C22 | C23 | 110.9° | 109.7° |
| C21 | C22 | C44 | 108.2° | 109.4° |
| C21 | C22 | H22 | 109.8° | 109.4° |
| C23 | C22 | C44 | 110.6° | 109.4° |
| C23 | C22 | H22 | 107.2° | 109.7° |
| C22 | C23 | C24 | 116.5° | 110.3° |
| C22 | C23 | H231 | 109.7° | 109.3° |
| C22 | C23 | H232 | 109.7° | 109.4° |
| C44 | C22 | H22 | 110.1° | 109.3° |
| C22 | C44 | H441 | 108.2° | 109.5° |
| C22 | C44 | H442 | 112.7° | 109.5° |
| C22 | C44 | H443 | 112.7° | 109.5° |
| C24 | C23 | H231 | 109.7° | 109.3° |
| C24 | C23 | H232 | 109.7° | 109.4° |
| C23 | C24 | C25 | 109.5° | 109.3° |
| C23 | C24 | C45 | 110.7° | 109.5° |
| C23 | C24 | H24 | 108.9° | 109.8° |
| H231 | C23 | H232 | 100.5° | 109.1° |
| C25 | C24 | C45 | 110.3° | 109.4° |
| C25 | C24 | H24 | 109.4° | 109.4° |
| C24 | C25 | C26 | 118.8° | 119.9° |
| C24 | C25 | O8 | 120.5° | 120.0° |
| C45 | C24 | H24 | 108.1° | 109.5° |
| C24 | C45 | H451 | 110.7° | 109.4° |
| C24 | C45 | H452 | 111.8° | 109.5° |
| C24 | C45 | H453 | 111.8° | 109.5° |
| C26 | C25 | O8 | 120.7° | 120.1° |
| C25 | C26 | C27 | 110.7° | 109.9° |
| C25 | C26 | O9 | 104.7° | 109.3° |
| C25 | C26 | H26 | 111.7° | 109.4° |
| C27 | C26 | O9 | 109.3° | 109.5° |
| C27 | C26 | H26 | 107.3° | 109.5° |
| C26 | C27 | C28 | 115.1° | 109.3° |
| C26 | C27 | O10 | 109.8° | 109.8° |
| C26 | C27 | H27 | 104.6° | 109.7° |
| O9 | C26 | H26 | 113.1° | 109.2° |
| C26 | O9 | C50 | 116.5° | 114.0° |
| C28 | C27 | O10 | 107.2° | 109.1° |
| C28 | C27 | H27 | 107.4° | 109.3° |
| C27 | C28 | C29 | 125.3° | 119.0° |
| C27 | C28 | C46 | 110.3° | 119.1° |
| O10 | C27 | H27 | 112.9° | 109.7° |
| C27 | O10 | HOA | 109.8° | 114.0° |
| O9 | C50 | H501 | 116.5° | 109.4° |
| O9 | C50 | H502 | 109.7° | 109.5° |
| O9 | C50 | H503 | 109.7° | 109.4° |
| C29 | C28 | C46 | 124.3° | 122.0° |
| C28 | C29 | C30 | 123.6° | 123.3° |
| C28 | C29 | H29 | 111.4° | 118.3° |
| C28 | C46 | H461 | 110.3° | 109.5° |
| C28 | C46 | H462 | 111.8° | 109.4° |
| C28 | C46 | H463 | 111.8° | 109.5° |
| C30 | C29 | H29 | 124.9° | 118.4° |
| C29 | C30 | C31 | 109.3° | 109.5° |
| C29 | C30 | C47 | 109.0° | 108.6° |
| C29 | C30 | H30 | 110.3° | 111.0° |
| C31 | C30 | C47 | 110.6° | 109.6° |
| C31 | C30 | H30 | 108.7° | 109.7° |
| C30 | C31 | C32 | 118.8° | 120.6° |
| C30 | C31 | O11 | 120.9° | 119.5° |
| C47 | C30 | H30 | 108.9° | 108.4° |
| C30 | C47 | H471 | 109.0° | 109.5° |
| C30 | C47 | H472 | 112.4° | 109.5° |
| C30 | C47 | H473 | 112.4° | 109.5° |
| C32 | C31 | O11 | 120.2° | 119.9° |
| C31 | C32 | C33 | 112.6° | 110.1° |
| C31 | C32 | H321 | 111.0° | 110.0° |
| C31 | C32 | H322 | 111.0° | 109.9° |
| C33 | C32 | H321 | 111.0° | 108.5° |
| C33 | C32 | H322 | 111.1° | 108.6° |
| C32 | C33 | C34 | 110.6° | 108.8° |
| C32 | C33 | H33 | 107.8° | 110.0° |
| H321 | C32 | H322 | 99.3° | 109.7° |
| C34 | C33 | H33 | 110.3° | 109.8° |
| C33 | C34 | C35 | 110.1° | 109.5° |
| C33 | C34 | C48 | 110.6° | 109.5° |
| C33 | C34 | H34 | 108.4° | 109.4° |
| C35 | C34 | C48 | 109.8° | 109.5° |
| C35 | C34 | H34 | 109.1° | 109.5° |
| C34 | C35 | C36 | 117.8° | 109.4° |
| C34 | C35 | H351 | 109.2° | 109.5° |
| C34 | C35 | H352 | 109.2° | 109.5° |
| C48 | C34 | H34 | 108.8° | 109.5° |
| C34 | C48 | H481 | 110.5° | 109.4° |
| C34 | C48 | H482 | 111.8° | 109.5° |
| C34 | C48 | H483 | 111.7° | 109.5° |
| C36 | C35 | H351 | 109.2° | 109.4° |
| C36 | C35 | H352 | 109.2° | 109.5° |
| C35 | C36 | C37 | 108.2° | 109.5° |
| C35 | C36 | C41 | 111.4° | 109.5° |
| C35 | C36 | H36 | 109.2° | 109.5° |
| H351 | C35 | H352 | 101.0° | 109.5° |
| C37 | C36 | C41 | 109.6° | 109.5° |
| C37 | C36 | H36 | 110.9° | 109.5° |
| C36 | C37 | C38 | 120.1° | 109.5° |
| C36 | C37 | H371 | 108.4° | 109.4° |
| C36 | C37 | H372 | 108.5° | 109.5° |
| C41 | C36 | H36 | 107.6° | 109.4° |
| C36 | C41 | C40 | 113.2° | 109.4° |
| C36 | C41 | H411 | 110.9° | 109.4° |
| C36 | C41 | H412 | 110.9° | 109.5° |
| C38 | C37 | H371 | 108.4° | 109.5° |
| C38 | C37 | H372 | 108.4° | 109.5° |
| C37 | C38 | C39 | 111.9° | 109.5° |
| C37 | C38 | O12 | 105.5° | 109.5° |
| C37 | C38 | H38 | 110.1° | 109.4° |
| H371 | C37 | H372 | 101.6° | 109.4° |
| C39 | C38 | O12 | 108.2° | 109.5° |
| C39 | C38 | H38 | 107.5° | 109.5° |
| C38 | C39 | C40 | 111.7° | 109.5° |
| C38 | C39 | O13 | 110.0° | 109.5° |
| C38 | C39 | H39 | 107.0° | 109.5° |
| O12 | C38 | H38 | 113.6° | 109.5° |
| C38 | O12 | C51 | 118.3° | 114.0° |
| C40 | C39 | O13 | 107.6° | 109.5° |
| C40 | C39 | H39 | 109.5° | 109.5° |
| C39 | C40 | C41 | 114.2° | 109.5° |
| C39 | C40 | H401 | 110.4° | 109.5° |
| C39 | C40 | H402 | 110.5° | 109.4° |
| O13 | C39 | H39 | 111.2° | 109.5° |
| C39 | O13 | HOD | 110.1° | 114.0° |
| O12 | C51 | H511 | 118.3° | 109.4° |
| O12 | C51 | H512 | 109.0° | 109.4° |
| O12 | C51 | H513 | 109.0° | 109.4° |
| C41 | C40 | H401 | 110.5° | 109.5° |
| C41 | C40 | H402 | 110.5° | 109.5° |
| C40 | C41 | H411 | 110.8° | 109.5° |
| C40 | C41 | H412 | 110.8° | 109.5° |
| H401 | C40 | H402 | 99.8° | 109.4° |
| H411 | C41 | H412 | 99.5° | 109.5° |
| H421 | C42 | H422 | 111.9° | 109.4° |
| H421 | C42 | H423 | 111.8° | 109.5° |
| H422 | C42 | H423 | 98.6° | 109.5° |
| H431 | C43 | H432 | 110.9° | 109.5° |
| H431 | C43 | H433 | 110.9° | 109.5° |
| H432 | C43 | H433 | 99.4° | 109.5° |
| H441 | C44 | H442 | 112.7° | 109.5° |
| H441 | C44 | H443 | 112.7° | 109.4° |
| H442 | C44 | H443 | 97.8° | 109.5° |
| H451 | C45 | H452 | 111.7° | 109.4° |
| H451 | C45 | H453 | 111.7° | 109.5° |
| H452 | C45 | H453 | 98.6° | 109.5° |
| H461 | C46 | H462 | 111.9° | 109.5° |
| H461 | C46 | H463 | 111.9° | 109.5° |
| H462 | C46 | H463 | 98.6° | 109.5° |
| H471 | C47 | H472 | 112.4° | 109.4° |
| H471 | C47 | H473 | 112.4° | 109.4° |
| H472 | C47 | H473 | 98.0° | 109.5° |
| H481 | C48 | H482 | 111.8° | 109.4° |
| H481 | C48 | H483 | 111.9° | 109.5° |
| H482 | C48 | H483 | 98.6° | 109.5° |
| C52 | C49 | H491 | 116.1° | 109.4° |
| C52 | C49 | H492 | 116.0° | 109.5° |
| C49 | C52 | H521 | 99.5° | 109.4° |
| C49 | C52 | H522 | 116.0° | 109.5° |
| C49 | C52 | H523 | 116.0° | 109.4° |
| H491 | C49 | H492 | 94.4° | 109.5° |
| H501 | C50 | H502 | 109.6° | 109.4° |
| H501 | C50 | H503 | 109.7° | 109.5° |
| H502 | C50 | H503 | 100.5° | 109.5° |
| H511 | C51 | H512 | 109.0° | 109.5° |
| H511 | C51 | H513 | 109.1° | 109.5° |
| H512 | C51 | H513 | 101.0° | 109.5° |
| H521 | C52 | H522 | 116.0° | 109.5° |
| H521 | C52 | H523 | 116.1° | 109.5° |
| H522 | C52 | H523 | 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° | 178.8° |
| O1 | C1 | C2 | C3 | 131.8° | 78.8° |
| O1 | C1 | C2 | N7 | 14.0° | 159.5° |
| O1 | C1 | C2 | H2 | 106.2° | 38.9° |
| C1 | O1 | C33 | C32 | 138.7° | 167.8° |
| C1 | O1 | C33 | C34 | 101.1° | 73.6° |
| C1 | O1 | C33 | H33 | 19.6° | 47.3° |
| O2 | C1 | O1 | C33 | 1.1° | 5.1° |
| O2 | C1 | C2 | C3 | 50.1° | 100.0° |
| O2 | C1 | C2 | N7 | 167.9° | 21.7° |
| O2 | C1 | C2 | H2 | 71.9° | 142.3° |
| C2 | C1 | O1 | C33 | 179.2° | 173.7° |
| C1 | C2 | C3 | N7 | 124.1° | 123.6° |
| C1 | C2 | C3 | H2 | 115.5° | 117.9° |
| C1 | C2 | N7 | H2 | 115.4° | 120.5° |
| C1 | C2 | C3 | C4 | 73.1° | 177.7° |
| C1 | C2 | C3 | H31 | 52.1° | 61.8° |
| C1 | C2 | C3 | H32 | 161.6° | 57.6° |
| C1 | C2 | N7 | C6 | 64.0° | 132.0° |
| C1 | C2 | N7 | C7 | 101.0° | 47.8° |
| O1 | C33 | C32 | C31 | 79.5° | 152.8° |
| O1 | C33 | C32 | C34 | 118.2° | 119.2° |
| O1 | C33 | C32 | H33 | 121.1° | 120.6° |
| O1 | C33 | C32 | H321 | 155.2° | 86.7° |
| O1 | C33 | C32 | H322 | 45.7° | 32.5° |
| O1 | C33 | C34 | H33 | 121.1° | 121.1° |
| O1 | C33 | C34 | C35 | 167.5° | 53.6° |
| O1 | C33 | C34 | C48 | 70.9° | 173.6° |
| O1 | C33 | C34 | H34 | 48.2° | 66.4° |
| C3 | C2 | N7 | H2 | 122.2° | 118.3° |
| C2 | C3 | C4 | H31 | 125.3° | 120.4° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 116.2° | 119.3° |
| C2 | C3 | C4 | C5 | 54.3° | 45.5° |
| C2 | C3 | C4 | H41 | 71.1° | 166.1° |
| C2 | C3 | C4 | H42 | 179.6° | 75.2° |
| C3 | C2 | N7 | C6 | 58.4° | 10.9° |
| C3 | C2 | N7 | C7 | 136.6° | 169.0° |
| N7 | C2 | C3 | C4 | 51.0° | 58.6° |
| N7 | C2 | C3 | H31 | 176.2° | 61.9° |
| N7 | C2 | C3 | H32 | 74.3° | 178.7° |
| C2 | N7 | C6 | C5 | 63.6° | 46.8° |
| C2 | N7 | C6 | C7 | 164.7° | 179.9° |
| C2 | N7 | C6 | H61 | 61.6° | 72.6° |
| C2 | N7 | C6 | H62 | 171.1° | 166.7° |
| C2 | N7 | C7 | C8 | 176.2° | 154.9° |
| C2 | N7 | C7 | O3 | 2.2° | 24.4° |
| H2 | C2 | C3 | C4 | 171.4° | 59.9° |
| H2 | C2 | C3 | H31 | 63.3° | 179.6° |
| H2 | C2 | C3 | H32 | 46.1° | 60.3° |
| H2 | C2 | N7 | C6 | 179.4° | 107.4° |
| H2 | C2 | N7 | C7 | 14.4° | 72.8° |
| C4 | C3 | H31 | H32 | 116.1° | 119.6° |
| C3 | C4 | C5 | H41 | 125.3° | 120.7° |
| C3 | C4 | C5 | H42 | 125.3° | 120.7° |
| C3 | C4 | H41 | H42 | 117.8° | 118.7° |
| C3 | C4 | C5 | C6 | 55.9° | 12.9° |
| C3 | C4 | C5 | H51 | 178.8° | 133.5° |
| C3 | C4 | C5 | H52 | 69.4° | 107.5° |
| H31 | C3 | C4 | C5 | 179.5° | 74.9° |
| H31 | C3 | C4 | H41 | 54.2° | 45.7° |
| H31 | C3 | C4 | H42 | 55.2° | 164.4° |
| H32 | C3 | C4 | C5 | 71.1° | 165.5° |
| H32 | C3 | C4 | H41 | 163.6° | 73.9° |
| H32 | C3 | C4 | H42 | 54.2° | 44.8° |
| C5 | C4 | H41 | H42 | 117.8° | 118.6° |
| C4 | C5 | C6 | H51 | 125.2° | 120.5° |
| C4 | C5 | C6 | H52 | 125.3° | 120.4° |
| C4 | C5 | H51 | H52 | 117.8° | 118.8° |
| C4 | C5 | C6 | N7 | 57.6° | 58.8° |
| C4 | C5 | C6 | H61 | 67.6° | 60.2° |
| C4 | C5 | C6 | H62 | 177.1° | 178.5° |
| H41 | C4 | C5 | C6 | 69.4° | 107.8° |
| H41 | C4 | C5 | H51 | 55.9° | 12.8° |
| H41 | C4 | C5 | H52 | 165.3° | 131.8° |
| H42 | C4 | C5 | C6 | 178.8° | 133.6° |
| H42 | C4 | C5 | H51 | 53.5° | 105.8° |
| H42 | C4 | C5 | H52 | 55.9° | 13.2° |
| C6 | C5 | H51 | H52 | 117.9° | 119.0° |
| C5 | C6 | N7 | H61 | 125.3° | 119.4° |
| C5 | C6 | N7 | H62 | 125.3° | 119.9° |
| C5 | C6 | H61 | H62 | 119.3° | 121.3° |
| C5 | C6 | N7 | C7 | 131.7° | 133.4° |
| H51 | C5 | C6 | N7 | 177.1° | 179.3° |
| H51 | C5 | C6 | H61 | 57.6° | 60.3° |
| H51 | C5 | C6 | H62 | 51.8° | 60.9° |
| H52 | C5 | C6 | N7 | 67.6° | 61.5° |
| H52 | C5 | C6 | H61 | 167.1° | 179.4° |
| H52 | C5 | C6 | H62 | 57.7° | 58.2° |
| N7 | C6 | H61 | H62 | 119.4° | 120.5° |
| C6 | N7 | C7 | C8 | 19.1° | 25.2° |
| C6 | N7 | C7 | O3 | 162.6° | 155.4° |
| H61 | C6 | N7 | C7 | 103.0° | 107.2° |
| H62 | C6 | N7 | C7 | 6.4° | 13.5° |
| N7 | C7 | C8 | C9 | 100.1° | 125.0° |
| N7 | C7 | C8 | O4 | 78.1° | 55.7° |
| N7 | C7 | C8 | O3 | 178.5° | 179.3° |
| C9 | C8 | O4 | C7 | 178.3° | 179.5° |
| C9 | C8 | C7 | O3 | 81.4° | 55.7° |
| C8 | C9 | C10 | O5 | 114.7° | 123.2° |
| C8 | C9 | C10 | O6 | 122.7° | 119.9° |
| C8 | C9 | O5 | O6 | 120.5° | 121.3° |
| C8 | C9 | C10 | C11 | 169.2° | 107.5° |
| C8 | C9 | C10 | C42 | 69.7° | 130.1° |
| C8 | C9 | C10 | H10 | 49.5° | 11.7° |
| C8 | C9 | O5 | C13 | 174.0° | 171.7° |
| C8 | C9 | O6 | HO6 | 179.9° | 59.9° |
| O4 | C8 | C7 | O3 | 100.3° | 123.7° |
| O4 | C8 | C9 | C10 | 130.4° | 14.7° |
| O4 | C8 | C9 | O5 | 112.2° | 106.3° |
| O4 | C8 | C9 | O6 | 8.7° | 133.6° |
| C7 | C8 | C9 | C10 | 51.4° | 166.0° |
| C7 | C8 | C9 | O5 | 66.1° | 73.1° |
| C7 | C8 | C9 | O6 | 173.1° | 47.0° |
| C10 | C9 | O5 | O6 | 121.4° | 117.3° |
| C9 | C10 | C11 | C42 | 121.7° | 122.3° |
| C9 | C10 | C11 | H10 | 119.0° | 119.3° |
| C9 | C10 | C42 | H10 | 119.0° | 118.9° |
| C10 | C9 | O5 | C13 | 67.9° | 50.4° |
| C10 | C9 | O6 | HO6 | 58.0° | 179.5° |
| C9 | C10 | C11 | C12 | 41.2° | 61.0° |
| C9 | C10 | C11 | H111 | 84.0° | 178.4° |
| C9 | C10 | C11 | H112 | 166.4° | 59.8° |
| C9 | C10 | C42 | H421 | 180.0° | 60.0° |
| C9 | C10 | C42 | H422 | 54.7° | 180.0° |
| C9 | C10 | C42 | H423 | 54.7° | 60.0° |
| O5 | C9 | C10 | C11 | 54.5° | 15.7° |
| O5 | C9 | C10 | C42 | 175.6° | 106.8° |
| O5 | C9 | C10 | H10 | 65.2° | 134.8° |
| O5 | C9 | O6 | HO6 | 63.2° | 63.0° |
| C9 | O5 | C13 | C12 | 61.5° | 74.3° |
| C9 | O5 | C13 | C14 | 179.3° | 159.3° |
| C9 | O5 | C13 | H13 | 57.4° | 41.5° |
| O6 | C9 | C10 | C11 | 68.2° | 132.6° |
| O6 | C9 | C10 | C42 | 52.9° | 10.1° |
| O6 | C9 | C10 | H10 | 172.2° | 108.3° |
| O6 | C9 | O5 | C13 | 53.5° | 66.9° |
| C11 | C10 | C42 | H10 | 119.7° | 118.8° |
| C10 | C11 | C12 | H111 | 125.2° | 120.7° |
| C10 | C11 | C12 | H112 | 125.2° | 120.9° |
| C10 | C11 | H111 | H112 | 116.2° | 119.3° |
| C10 | C11 | C12 | C13 | 36.7° | 38.7° |
| C10 | C11 | C12 | H121 | 161.9° | 82.0° |
| C10 | C11 | C12 | H122 | 88.6° | 158.8° |
| C11 | C10 | C42 | H421 | 58.7° | 177.7° |
| C11 | C10 | C42 | H422 | 66.6° | 57.8° |
| C11 | C10 | C42 | H423 | 176.1° | 62.2° |
| C42 | C10 | C11 | C12 | 162.9° | 61.3° |
| C42 | C10 | C11 | H111 | 37.7° | 59.3° |
| C42 | C10 | C11 | H112 | 71.9° | 177.9° |
| C10 | C42 | H421 | H422 | 125.3° | 120.0° |
| C10 | C42 | H421 | H423 | 125.2° | 120.0° |
| C10 | C42 | H422 | H423 | 117.7° | 120.0° |
| H10 | C10 | C11 | C12 | 77.7° | 179.8° |
| H10 | C10 | C11 | H111 | 157.0° | 59.1° |
| H10 | C10 | C11 | H112 | 47.5° | 59.5° |
| H10 | C10 | C42 | H421 | 61.0° | 58.9° |
| H10 | C10 | C42 | H422 | 173.7° | 61.0° |
| H10 | C10 | C42 | H423 | 64.2° | 178.9° |
| O5 | C13 | C12 | C11 | 44.0° | 23.8° |
| O5 | C13 | C12 | C14 | 115.9° | 126.2° |
| O5 | C13 | C12 | H13 | 122.0° | 115.9° |
| O5 | C13 | C12 | H121 | 169.3° | 144.4° |
| O5 | C13 | C12 | H122 | 81.2° | 95.5° |
| O5 | C13 | C14 | H13 | 121.8° | 117.9° |
| O5 | C13 | C14 | C15 | 174.3° | 66.9° |
| O5 | C13 | C14 | H141 | 60.5° | 54.6° |
| O5 | C13 | C14 | H142 | 49.0° | 171.7° |
| C12 | C11 | H111 | H112 | 116.2° | 118.9° |
| C11 | C12 | C13 | H121 | 125.3° | 120.6° |
| C11 | C12 | C13 | H122 | 125.3° | 119.4° |
| C11 | C12 | H121 | H122 | 116.4° | 119.3° |
| C11 | C12 | C13 | C14 | 159.9° | 150.0° |
| C11 | C12 | C13 | H13 | 78.0° | 92.1° |
| H111 | C11 | C12 | C13 | 88.6° | 159.4° |
| H111 | C11 | C12 | H121 | 36.7° | 38.8° |
| H111 | C11 | C12 | H122 | 146.2° | 80.5° |
| H112 | C11 | C12 | C13 | 161.9° | 82.2° |
| H112 | C11 | C12 | H121 | 72.8° | 157.1° |
| H112 | C11 | C12 | H122 | 36.6° | 37.8° |
| C13 | C12 | H121 | H122 | 116.3° | 120.9° |
| C12 | C13 | C14 | H13 | 118.9° | 117.8° |
| C12 | C13 | C14 | C15 | 66.4° | 57.4° |
| C12 | C13 | C14 | H141 | 58.9° | 178.8° |
| C12 | C13 | C14 | H142 | 168.3° | 64.0° |
| H121 | C12 | C13 | C14 | 74.7° | 89.4° |
| H121 | C12 | C13 | H13 | 47.4° | 28.5° |
| H122 | C12 | C13 | C14 | 34.7° | 30.7° |
| H122 | C12 | C13 | H13 | 156.8° | 148.6° |
| C13 | C14 | C15 | H141 | 125.3° | 121.3° |
| C13 | C14 | C15 | H142 | 125.3° | 121.2° |
| C13 | C14 | H141 | H142 | 115.4° | 117.5° |
| C13 | C14 | C15 | C16 | 177.7° | 155.4° |
| C13 | C14 | C15 | O7 | 59.8° | 86.5° |
| C13 | C14 | C15 | H15 | 60.4° | 35.2° |
| H13 | C13 | C14 | C15 | 52.5° | 175.2° |
| H13 | C13 | C14 | H141 | 177.8° | 63.3° |
| H13 | C13 | C14 | H142 | 72.8° | 53.8° |
| C15 | C14 | H141 | H142 | 115.3° | 118.1° |
| C14 | C15 | C16 | O7 | 119.7° | 119.2° |
| C14 | C15 | C16 | H15 | 120.1° | 120.6° |
| C14 | C15 | O7 | H15 | 120.3° | 122.0° |
| C14 | C15 | C16 | C17 | 113.4° | 124.5° |
| C14 | C15 | C16 | C43 | 65.2° | 56.2° |
| C14 | C15 | O7 | C49 | 141.8° | 150.1° |
| H141 | C14 | C15 | C16 | 57.0° | 34.0° |
| H141 | C14 | C15 | O7 | 174.9° | 152.2° |
| H141 | C14 | C15 | H15 | 64.9° | 86.1° |
| H142 | C14 | C15 | C16 | 52.4° | 83.4° |
| H142 | C14 | C15 | O7 | 65.5° | 34.7° |
| H142 | C14 | C15 | H15 | 174.3° | 156.4° |
| C16 | C15 | O7 | H15 | 121.9° | 120.1° |
| C15 | C16 | C17 | C43 | 178.5° | 179.3° |
| C16 | C15 | O7 | C49 | 100.4° | 92.0° |
| C15 | C16 | C17 | C18 | 177.4° | 179.5° |
| C15 | C16 | C17 | H17 | 2.6° | 0.5° |
| C15 | C16 | C43 | H431 | 180.0° | 90.0° |
| C15 | C16 | C43 | H432 | 54.8° | 150.0° |
| C15 | C16 | C43 | H433 | 54.7° | 30.0° |
| O7 | C15 | C16 | C17 | 126.9° | 116.3° |
| O7 | C15 | C16 | C43 | 54.5° | 63.0° |
| C15 | O7 | C49 | C52 | 150.8° | 180.0° |
| C15 | O7 | C49 | H491 | 83.9° | 60.0° |
| C15 | O7 | C49 | H492 | 25.6° | 60.0° |
| H15 | C15 | C16 | C17 | 6.7° | 3.9° |
| H15 | C15 | C16 | C43 | 174.6° | 176.8° |
| H15 | C15 | O7 | C49 | 21.5° | 28.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 168.8° | 175.4° |
| C16 | C17 | C18 | H18 | 11.2° | 4.9° |
| C17 | C16 | C43 | H431 | 1.4° | 89.3° |
| C17 | C16 | C43 | H432 | 123.8° | 30.7° |
| C17 | C16 | C43 | H433 | 126.7° | 150.7° |
| C43 | C16 | C17 | C18 | 1.0° | 1.2° |
| C43 | C16 | C17 | H17 | 179.0° | 178.8° |
| C16 | C43 | H431 | H432 | 125.3° | 120.0° |
| C16 | C43 | H431 | H433 | 125.3° | 120.0° |
| C16 | C43 | H432 | H433 | 116.9° | 119.9° |
| O7 | C49 | C52 | H491 | 125.2° | 119.9° |
| O7 | C49 | C52 | H492 | 125.2° | 120.0° |
| O7 | C49 | H491 | H492 | 121.8° | 120.0° |
| O7 | C49 | C52 | H521 | 180.0° | 60.1° |
| O7 | C49 | C52 | H522 | 54.7° | 59.9° |
| O7 | C49 | C52 | H523 | 54.7° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.7° |
| C17 | C18 | C19 | C20 | 179.5° | 179.3° |
| C17 | C18 | C19 | H19 | 0.4° | 0.9° |
| H17 | C17 | C18 | C19 | 11.2° | 4.6° |
| H17 | C17 | C18 | H18 | 168.8° | 175.1° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 143.2° | 178.9° |
| C18 | C19 | C20 | H20 | 36.8° | 1.2° |
| H18 | C18 | C19 | C20 | 0.5° | 0.4° |
| H18 | C18 | C19 | H19 | 179.5° | 179.5° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 179.6° | 179.7° |
| C19 | C20 | C21 | H21 | 0.3° | 0.5° |
| H19 | C19 | C20 | C21 | 36.8° | 1.0° |
| H19 | C19 | C20 | H20 | 143.2° | 178.9° |
| C20 | C21 | C22 | H21 | 179.9° | 179.9° |
| C20 | C21 | C22 | C23 | 130.5° | 146.8° |
| C20 | C21 | C22 | C44 | 108.0° | 93.3° |
| C20 | C21 | C22 | H22 | 12.2° | 26.5° |
| H20 | C20 | C21 | C22 | 0.4° | 0.2° |
| H20 | C20 | C21 | H21 | 179.7° | 179.7° |
| C21 | C22 | C23 | C44 | 120.1° | 120.0° |
| C21 | C22 | C23 | H22 | 119.9° | 120.2° |
| C21 | C22 | C44 | H22 | 120.0° | 119.8° |
| C21 | C22 | C23 | C24 | 46.6° | 56.2° |
| C21 | C22 | C23 | H231 | 171.8° | 176.4° |
| C21 | C22 | C23 | H232 | 78.8° | 64.2° |
| C21 | C22 | C44 | H441 | 180.0° | 60.0° |
| C21 | C22 | C44 | H442 | 54.8° | 180.0° |
| C21 | C22 | C44 | H443 | 54.7° | 59.9° |
| H21 | C21 | C22 | C23 | 49.4° | 33.3° |
| H21 | C21 | C22 | C44 | 72.1° | 86.6° |
| H21 | C21 | C22 | H22 | 167.8° | 153.6° |
| C23 | C22 | C44 | H22 | 118.3° | 120.1° |
| C22 | C23 | C24 | H231 | 125.3° | 120.2° |
| C22 | C23 | C24 | H232 | 125.3° | 120.4° |
| C22 | C23 | H231 | H232 | 115.5° | 119.6° |
| C22 | C23 | C24 | C25 | 151.6° | 153.3° |
| C22 | C23 | C24 | C45 | 86.7° | 86.9° |
| C22 | C23 | C24 | H24 | 32.0° | 33.3° |
| C23 | C22 | C44 | H441 | 58.3° | 60.2° |
| C23 | C22 | C44 | H442 | 176.5° | 59.8° |
| C23 | C22 | C44 | H443 | 67.0° | 179.9° |
| C44 | C22 | C23 | C24 | 166.6° | 176.2° |
| C44 | C22 | C23 | H231 | 68.1° | 63.7° |
| C44 | C22 | C23 | H232 | 41.3° | 55.8° |
| C22 | C44 | H441 | H442 | 125.2° | 120.0° |
| C22 | C44 | H441 | H443 | 125.2° | 120.0° |
| C22 | C44 | H442 | H443 | 118.6° | 120.1° |
| H22 | C22 | C23 | C24 | 73.3° | 63.9° |
| H22 | C22 | C23 | H231 | 51.9° | 56.2° |
| H22 | C22 | C23 | H232 | 161.4° | 175.7° |
| H22 | C22 | C44 | H441 | 60.0° | 179.8° |
| H22 | C22 | C44 | H442 | 65.2° | 60.2° |
| H22 | C22 | C44 | H443 | 174.7° | 59.9° |
| C24 | C23 | H231 | H232 | 115.5° | 119.6° |
| C23 | C24 | C25 | C45 | 122.0° | 119.9° |
| C23 | C24 | C25 | H24 | 119.3° | 120.2° |
| C23 | C24 | C45 | H24 | 119.2° | 120.4° |
| C23 | C24 | C25 | C26 | 88.6° | 149.4° |
| C23 | C24 | C25 | O8 | 88.4° | 30.3° |
| C23 | C24 | C45 | H451 | 180.0° | 60.0° |
| C23 | C24 | C45 | H452 | 54.7° | 180.0° |
| C23 | C24 | C45 | H453 | 54.7° | 60.0° |
| H231 | C23 | C24 | C25 | 83.2° | 86.5° |
| H231 | C23 | C24 | C45 | 38.6° | 33.2° |
| H231 | C23 | C24 | H24 | 157.3° | 153.4° |
| H232 | C23 | C24 | C25 | 26.3° | 32.9° |
| H232 | C23 | C24 | C45 | 148.0° | 152.7° |
| H232 | C23 | C24 | H24 | 93.3° | 87.1° |
| C25 | C24 | C45 | H24 | 119.5° | 119.9° |
| C24 | C25 | C26 | O8 | 177.0° | 179.7° |
| C24 | C25 | C26 | C27 | 85.0° | 134.4° |
| C24 | C25 | C26 | O9 | 157.2° | 105.5° |
| C24 | C25 | C26 | H26 | 34.5° | 14.1° |
| C25 | C24 | C45 | H451 | 58.7° | 59.7° |
| C25 | C24 | C45 | H452 | 176.0° | 60.2° |
| C25 | C24 | C45 | H453 | 66.5° | 179.7° |
| C45 | C24 | C25 | C26 | 149.4° | 90.7° |
| C45 | C24 | C25 | O8 | 33.6° | 89.6° |
| C24 | C45 | H451 | H452 | 125.3° | 120.0° |
| C24 | C45 | H451 | H453 | 125.3° | 120.0° |
| C24 | C45 | H452 | H453 | 117.7° | 120.1° |
| H24 | C24 | C25 | C26 | 30.7° | 29.2° |
| H24 | C24 | C25 | O8 | 152.3° | 150.5° |
| H24 | C24 | C45 | H451 | 60.8° | 179.6° |
| H24 | C24 | C45 | H452 | 64.5° | 59.7° |
| H24 | C24 | C45 | H453 | 174.0° | 60.4° |
| C25 | C26 | C27 | O9 | 114.9° | 120.1° |
| C25 | C26 | C27 | H26 | 122.1° | 120.3° |
| C25 | C26 | O9 | H26 | 121.8° | 119.7° |
| C25 | C26 | C27 | C28 | 74.6° | 153.8° |
| C25 | C26 | C27 | O10 | 46.4° | 34.2° |
| C25 | C26 | C27 | H27 | 167.8° | 86.4° |
| C25 | C26 | O9 | C50 | 105.0° | 90.0° |
| O8 | C25 | C26 | C27 | 98.0° | 45.9° |
| O8 | C25 | C26 | O9 | 19.7° | 74.3° |
| O8 | C25 | C26 | H26 | 142.4° | 166.2° |
| C27 | C26 | O9 | H26 | 119.5° | 119.9° |
| C26 | C27 | C28 | O10 | 122.4° | 120.0° |
| C26 | C27 | C28 | H27 | 116.0° | 120.0° |
| C26 | C27 | O10 | H27 | 116.3° | 120.6° |
| C27 | C26 | O9 | C50 | 136.3° | 149.6° |
| C26 | C27 | C28 | C29 | 109.1° | 71.1° |
| C26 | C27 | C28 | C46 | 70.0° | 109.0° |
| C26 | C27 | O10 | HOA | 180.0° | 180.0° |
| O9 | C26 | C27 | C28 | 170.5° | 86.1° |
| O9 | C26 | C27 | O10 | 68.5° | 154.3° |
| O9 | C26 | C27 | H27 | 52.9° | 33.7° |
| C26 | O9 | C50 | H501 | 180.0° | 180.0° |
| C26 | O9 | C50 | H502 | 54.8° | 60.0° |
| C26 | O9 | C50 | H503 | 54.7° | 60.1° |
| H26 | C26 | C27 | C28 | 47.5° | 33.6° |
| H26 | C26 | C27 | O10 | 168.5° | 86.0° |
| H26 | C26 | C27 | H27 | 70.1° | 153.3° |
| H26 | C26 | O9 | C50 | 16.8° | 29.7° |
| C28 | C27 | O10 | H27 | 118.0° | 119.7° |
| C27 | C28 | C29 | C46 | 179.0° | 179.8° |
| C28 | C27 | O10 | HOA | 54.3° | 60.2° |
| C27 | C28 | C29 | C30 | 173.7° | 179.7° |
| C27 | C28 | C29 | H29 | 6.3° | 0.3° |
| C27 | C28 | C46 | H461 | 180.0° | 90.0° |
| C27 | C28 | C46 | H462 | 54.7° | 150.0° |
| C27 | C28 | C46 | H463 | 54.7° | 30.0° |
| O10 | C27 | C28 | C29 | 13.3° | 168.8° |
| O10 | C27 | C28 | C46 | 167.6° | 11.0° |
| H27 | C27 | C28 | C29 | 134.8° | 48.9° |
| H27 | C27 | C28 | C46 | 46.0° | 130.9° |
| H27 | C27 | O10 | HOA | 63.7° | 59.4° |
| O9 | C50 | H501 | H502 | 125.2° | 120.0° |
| O9 | C50 | H501 | H503 | 125.3° | 119.9° |
| O9 | C50 | H502 | H503 | 115.5° | 120.0° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 97.2° | 90.7° |
| C28 | C29 | C30 | C47 | 141.7° | 149.6° |
| C28 | C29 | C30 | H30 | 22.2° | 30.5° |
| C29 | C28 | C46 | H461 | 0.9° | 89.8° |
| C29 | C28 | C46 | H462 | 126.1° | 30.2° |
| C29 | C28 | C46 | H463 | 124.4° | 150.2° |
| C46 | C28 | C29 | C30 | 7.3° | 0.5° |
| C46 | C28 | C29 | H29 | 172.7° | 179.6° |
| C28 | C46 | H461 | H462 | 125.2° | 120.0° |
| C28 | C46 | H461 | H463 | 125.2° | 120.0° |
| C28 | C46 | H462 | H463 | 117.7° | 120.0° |
| C29 | C30 | C31 | C47 | 120.1° | 119.1° |
| C29 | C30 | C31 | H30 | 120.4° | 122.1° |
| C29 | C30 | C47 | H30 | 120.3° | 120.8° |
| C29 | C30 | C31 | C32 | 87.3° | 137.2° |
| C29 | C30 | C31 | O11 | 92.7° | 42.7° |
| C29 | C30 | C47 | H471 | 180.0° | 60.0° |
| C29 | C30 | C47 | H472 | 54.7° | 179.9° |
| C29 | C30 | C47 | H473 | 54.7° | 59.9° |
| H29 | C29 | C30 | C31 | 82.8° | 89.3° |
| H29 | C29 | C30 | C47 | 38.3° | 30.4° |
| H29 | C29 | C30 | H30 | 157.8° | 149.5° |
| C31 | C30 | C47 | H30 | 119.4° | 119.6° |
| C30 | C31 | C32 | O11 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 149.0° | 167.1° |
| C30 | C31 | C32 | H321 | 23.7° | 47.6° |
| C30 | C31 | C32 | H322 | 85.8° | 73.3° |
| C31 | C30 | C47 | H471 | 59.8° | 59.6° |
| C31 | C30 | C47 | H472 | 174.9° | 60.3° |
| C31 | C30 | C47 | H473 | 65.5° | 179.5° |
| C47 | C30 | C31 | C32 | 152.6° | 18.1° |
| C47 | C30 | C31 | O11 | 27.4° | 161.8° |
| C30 | C47 | H471 | H472 | 125.3° | 120.0° |
| C30 | C47 | H471 | H473 | 125.3° | 120.0° |
| C30 | C47 | H472 | H473 | 118.3° | 120.1° |
| H30 | C30 | C31 | C32 | 33.0° | 100.8° |
| H30 | C30 | C31 | O11 | 146.9° | 79.4° |
| H30 | C30 | C47 | H471 | 59.7° | 179.2° |
| H30 | C30 | C47 | H472 | 65.7° | 59.3° |
| H30 | C30 | C47 | H473 | 175.1° | 60.8° |
| C31 | C32 | C33 | H321 | 125.2° | 120.4° |
| C31 | C32 | C33 | H322 | 125.3° | 120.4° |
| C31 | C32 | H321 | H322 | 116.9° | 121.0° |
| C31 | C32 | C33 | C34 | 162.2° | 88.0° |
| C31 | C32 | C33 | H33 | 41.5° | 32.2° |
| O11 | C31 | C32 | C33 | 31.1° | 13.0° |
| O11 | C31 | C32 | H321 | 156.3° | 132.6° |
| O11 | C31 | C32 | H322 | 94.2° | 106.6° |
| C33 | C32 | H321 | H322 | 117.0° | 118.5° |
| C32 | C33 | C34 | H33 | 119.2° | 120.4° |
| C32 | C33 | C34 | C35 | 72.7° | 172.1° |
| C32 | C33 | C34 | C48 | 48.8° | 67.9° |
| C32 | C33 | C34 | H34 | 168.0° | 52.2° |
| H321 | C32 | C33 | C34 | 37.0° | 32.4° |
| H321 | C32 | C33 | H33 | 83.7° | 152.7° |
| H322 | C32 | C33 | C34 | 72.5° | 151.6° |
| H322 | C32 | C33 | H33 | 166.8° | 88.1° |
| C33 | C34 | C35 | C48 | 122.0° | 120.0° |
| C33 | C34 | C35 | H34 | 118.9° | 119.9° |
| C33 | C34 | C48 | H34 | 118.9° | 120.0° |
| C33 | C34 | C35 | C36 | 51.8° | 171.5° |
| C33 | C34 | C35 | H351 | 73.4° | 51.5° |
| C33 | C34 | C35 | H352 | 177.1° | 68.6° |
| C33 | C34 | C48 | H481 | 180.0° | 41.3° |
| C33 | C34 | C48 | H482 | 54.7° | 161.2° |
| C33 | C34 | C48 | H483 | 54.7° | 78.7° |
| H33 | C33 | C34 | C35 | 46.5° | 67.5° |
| H33 | C33 | C34 | C48 | 168.0° | 52.5° |
| H33 | C33 | C34 | H34 | 72.9° | 172.6° |
| C35 | C34 | C48 | H34 | 119.4° | 120.1° |
| C34 | C35 | C36 | H351 | 125.2° | 120.0° |
| C34 | C35 | C36 | H352 | 125.3° | 120.0° |
| C34 | C35 | H351 | H352 | 115.0° | 120.1° |
| C34 | C35 | C36 | C37 | 174.5° | 149.6° |
| C34 | C35 | C36 | C41 | 65.0° | 90.4° |
| C34 | C35 | C36 | H36 | 53.7° | 29.6° |
| C35 | C34 | C48 | H481 | 58.3° | 161.3° |
| C35 | C34 | C48 | H482 | 67.0° | 78.8° |
| C35 | C34 | C48 | H483 | 176.4° | 41.3° |
| C48 | C34 | C35 | C36 | 173.8° | 68.5° |
| C48 | C34 | C35 | H351 | 48.6° | 171.5° |
| C48 | C34 | C35 | H352 | 60.9° | 51.4° |
| C34 | C48 | H481 | H482 | 125.2° | 120.0° |
| C34 | C48 | H481 | H483 | 125.2° | 120.0° |
| C34 | C48 | H482 | H483 | 117.6° | 120.0° |
| H34 | C34 | C35 | C36 | 67.0° | 51.5° |
| H34 | C34 | C35 | H351 | 167.7° | 68.4° |
| H34 | C34 | C35 | H352 | 58.2° | 171.5° |
| H34 | C34 | C48 | H481 | 61.1° | 78.7° |
| H34 | C34 | C48 | H482 | 173.6° | 41.3° |
| H34 | C34 | C48 | H483 | 64.2° | 161.3° |
| C36 | C35 | H351 | H352 | 115.0° | 120.0° |
| C35 | C36 | C37 | C41 | 121.7° | 120.0° |
| C35 | C36 | C37 | H36 | 119.6° | 120.0° |
| C35 | C36 | C41 | H36 | 119.6° | 120.0° |
| C35 | C36 | C37 | C38 | 166.3° | 180.0° |
| C35 | C36 | C37 | H371 | 68.4° | 60.0° |
| C35 | C36 | C37 | H372 | 41.1° | 59.9° |
| C35 | C36 | C41 | C40 | 169.7° | 180.0° |
| C35 | C36 | C41 | H411 | 44.4° | 60.0° |
| C35 | C36 | C41 | H412 | 65.1° | 60.0° |
| H351 | C35 | C36 | C37 | 49.2° | 29.6° |
| H351 | C35 | C36 | C41 | 169.8° | 149.6° |
| H351 | C35 | C36 | H36 | 71.5° | 90.4° |
| H352 | C35 | C36 | C37 | 60.3° | 90.4° |
| H352 | C35 | C36 | C41 | 60.3° | 29.6° |
| H352 | C35 | C36 | H36 | 179.0° | 149.6° |
| C37 | C36 | C41 | H36 | 120.7° | 120.0° |
| C36 | C37 | C38 | H371 | 125.3° | 120.0° |
| C36 | C37 | C38 | H372 | 125.3° | 120.0° |
| C36 | C37 | H371 | H372 | 114.1° | 119.9° |
| C36 | C37 | C38 | C39 | 41.9° | 60.0° |
| C36 | C37 | C38 | O12 | 159.4° | 180.0° |
| C36 | C37 | C38 | H38 | 77.5° | 60.0° |
| C37 | C36 | C41 | C40 | 50.0° | 60.0° |
| C37 | C36 | C41 | H411 | 75.3° | 60.0° |
| C37 | C36 | C41 | H412 | 175.2° | 180.0° |
| C41 | C36 | C37 | C38 | 44.7° | 60.0° |
| C41 | C36 | C37 | H371 | 169.9° | 180.0° |
| C41 | C36 | C37 | H372 | 80.6° | 60.1° |
| C36 | C41 | C40 | C39 | 57.3° | 60.0° |
| C36 | C41 | C40 | H411 | 125.3° | 120.0° |
| C36 | C41 | C40 | H412 | 125.2° | 120.0° |
| C36 | C41 | C40 | H401 | 68.0° | 60.0° |
| C36 | C41 | C40 | H402 | 177.5° | 180.0° |
| C36 | C41 | H411 | H412 | 116.8° | 120.0° |
| H36 | C36 | C37 | C38 | 74.0° | 60.0° |
| H36 | C36 | C37 | H371 | 51.2° | 60.1° |
| H36 | C36 | C37 | H372 | 160.7° | 180.0° |
| H36 | C36 | C41 | C40 | 70.7° | 60.0° |
| H36 | C36 | C41 | H411 | 164.0° | 180.0° |
| H36 | C36 | C41 | H412 | 54.5° | 60.0° |
| C38 | C37 | H371 | H372 | 114.0° | 120.0° |
| C37 | C38 | C39 | O12 | 115.8° | 120.0° |
| C37 | C38 | C39 | H38 | 121.0° | 119.9° |
| C37 | C38 | O12 | H38 | 120.8° | 120.0° |
| C37 | C38 | C39 | C40 | 42.9° | 60.0° |
| C37 | C38 | C39 | O13 | 162.3° | 180.0° |
| C37 | C38 | C39 | H39 | 76.8° | 60.0° |
| C37 | C38 | O12 | C51 | 66.0° | 150.0° |
| H371 | C37 | C38 | C39 | 167.2° | 180.0° |
| H371 | C37 | C38 | O12 | 75.3° | 60.0° |
| H371 | C37 | C38 | H38 | 47.7° | 60.0° |
| H372 | C37 | C38 | C39 | 83.3° | 60.1° |
| H372 | C37 | C38 | O12 | 34.1° | 60.0° |
| H372 | C37 | C38 | H38 | 157.2° | 180.0° |
| C39 | C38 | O12 | H38 | 119.3° | 120.0° |
| C38 | C39 | C40 | O13 | 120.8° | 120.0° |
| C38 | C39 | C40 | H39 | 118.3° | 120.0° |
| C38 | C39 | O13 | H39 | 118.3° | 120.0° |
| C39 | C38 | O12 | C51 | 174.1° | 90.0° |
| C38 | C39 | C40 | C41 | 52.5° | 60.0° |
| C38 | C39 | C40 | H401 | 72.8° | 60.0° |
| C38 | C39 | C40 | H402 | 177.8° | 180.0° |
| C38 | C39 | O13 | HOD | 180.0° | 179.9° |
| O12 | C38 | C39 | C40 | 158.8° | 180.0° |
| O12 | C38 | C39 | O13 | 81.8° | 60.0° |
| O12 | C38 | C39 | H39 | 39.0° | 60.0° |
| C38 | O12 | C51 | H511 | 180.0° | 60.0° |
| C38 | O12 | C51 | H512 | 54.7° | 60.0° |
| C38 | O12 | C51 | H513 | 54.7° | 180.0° |
| H38 | C38 | C39 | C40 | 78.1° | 60.0° |
| H38 | C38 | C39 | O13 | 41.3° | 60.1° |
| H38 | C38 | C39 | H39 | 162.1° | 179.9° |
| H38 | C38 | O12 | C51 | 54.8° | 30.0° |
| C40 | C39 | O13 | H39 | 119.8° | 120.0° |
| C39 | C40 | C41 | H401 | 125.3° | 120.0° |
| C39 | C40 | C41 | H402 | 125.3° | 120.0° |
| C39 | C40 | H401 | H402 | 116.3° | 119.9° |
| C40 | C39 | O13 | HOD | 58.1° | 60.0° |
| C39 | C40 | C41 | H411 | 68.0° | 60.0° |
| C39 | C40 | C41 | H412 | 177.5° | 180.0° |
| O13 | C39 | C40 | C41 | 173.3° | 180.0° |
| O13 | C39 | C40 | H401 | 48.0° | 60.0° |
| O13 | C39 | C40 | H402 | 61.4° | 60.0° |
| H39 | C39 | C40 | C41 | 65.8° | 60.0° |
| H39 | C39 | C40 | H401 | 168.9° | 180.0° |
| H39 | C39 | C40 | H402 | 59.5° | 60.0° |
| H39 | C39 | O13 | HOD | 61.7° | 59.9° |
| O12 | C51 | H511 | H512 | 125.2° | 119.9° |
| O12 | C51 | H511 | H513 | 125.3° | 120.0° |
| O12 | C51 | H512 | H513 | 114.7° | 120.0° |
| C41 | C40 | H401 | H402 | 116.4° | 120.0° |
| C40 | C41 | H411 | H412 | 116.7° | 120.1° |
| H401 | C40 | C41 | H411 | 166.7° | 180.0° |
| H401 | C40 | C41 | H412 | 57.2° | 59.9° |
| H402 | C40 | C41 | H411 | 57.3° | 60.0° |
| H402 | C40 | C41 | H412 | 52.2° | 60.0° |
| H421 | C42 | H422 | H423 | 117.8° | 120.0° |
| H431 | C43 | H432 | H433 | 116.8° | 120.0° |
| H441 | C44 | H442 | H443 | 118.6° | 120.0° |
| H451 | C45 | H452 | H453 | 117.6° | 120.0° |
| H461 | C46 | H462 | H463 | 117.9° | 120.0° |
| H471 | C47 | H472 | H473 | 118.3° | 119.9° |
| H481 | C48 | H482 | H483 | 117.8° | 120.0° |
| C52 | C49 | H491 | H492 | 121.9° | 120.0° |
| C49 | C52 | H521 | H522 | 125.2° | 120.0° |
| C49 | C52 | H521 | H523 | 125.3° | 119.9° |
| C49 | C52 | H522 | H523 | 121.8° | 120.0° |
| H491 | C49 | C52 | H521 | 54.8° | 180.0° |
| H491 | C49 | C52 | H522 | 180.0° | 60.0° |
| H491 | C49 | C52 | H523 | 70.6° | 60.1° |
| H492 | C49 | C52 | H521 | 54.8° | 60.0° |
| H492 | C49 | C52 | H522 | 70.5° | 179.9° |
| H492 | C49 | C52 | H523 | 179.9° | 60.0° |
| H501 | C50 | H502 | H503 | 115.5° | 120.0° |
| H511 | C51 | H512 | H513 | 114.8° | 120.1° |
| H521 | C52 | H522 | H523 | 121.9° | 120.0° |
