SFA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O77 | C41 | doub | 1.21Å | 1.24Å | |
| C41 | C40 | sing | 1.50Å | 1.56Å | |
| C41 | N42 | sing | 1.33Å | 1.34Å | |
| C40 | C43 | sing | 1.53Å | 1.53Å | |
| C40 | C39 | sing | 1.53Å | 1.53Å | |
| C40 | H40 | sing | 1.09Å | 1.12Å | |
| C43 | C44 | sing | 1.53Å | 1.50Å | |
| C43 | H431 | sing | 1.09Å | 1.11Å | |
| C43 | H432 | sing | 1.09Å | 1.11Å | |
| C44 | H441 | sing | 1.09Å | 1.11Å | |
| C44 | H442 | sing | 1.09Å | 1.11Å | |
| C44 | H443 | sing | 1.09Å | 1.12Å | |
| C39 | C38 | sing | 1.52Å | 1.52Å | |
| C39 | H391 | sing | 1.10Å | 1.11Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| N42 | C37 | sing | 1.45Å | 1.48Å | |
| N42 | H42 | sing | 0.97Å | 1.02Å | |
| C37 | O76 | sing | 1.44Å | 1.45Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C37 | C36 | sing | 1.53Å | 1.56Å | |
| O76 | C33 | sing | 1.42Å | 1.40Å | |
| C38 | C45 | sing | 1.53Å | 1.55Å | |
| C38 | H38 | sing | 1.10Å | 1.11Å | |
| C45 | H451 | sing | 1.09Å | 1.11Å | |
| C45 | H452 | sing | 1.09Å | 1.12Å | |
| C45 | H453 | sing | 1.09Å | 1.12Å | |
| C36 | C46 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.53Å | 1.56Å | |
| C36 | H36 | sing | 1.10Å | 1.12Å | |
| C46 | H461 | sing | 1.09Å | 1.12Å | |
| C46 | H462 | sing | 1.09Å | 1.11Å | |
| C46 | H463 | sing | 1.09Å | 1.12Å | |
| C35 | O75 | sing | 1.43Å | 1.44Å | |
| C35 | C34 | sing | 1.53Å | 1.56Å | |
| C35 | H35 | sing | 1.10Å | 1.12Å | |
| O75 | H75 | sing | 0.97Å | 0.95Å | |
| C34 | C47 | sing | 1.53Å | 1.56Å | |
| C34 | C33 | sing | 1.53Å | 1.56Å | |
| C34 | H34 | sing | 1.09Å | 1.11Å | |
| C47 | H471 | sing | 1.09Å | 1.12Å | |
| C47 | H472 | sing | 1.09Å | 1.12Å | |
| C47 | H473 | sing | 1.09Å | 1.12Å | |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| C33 | H33 | sing | 1.09Å | 1.12Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C32 | H321 | sing | 1.09Å | 1.11Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C31 | O74 | sing | 1.43Å | 1.43Å | |
| C31 | C30 | sing | 1.53Å | 1.54Å | |
| C31 | H31 | sing | 1.09Å | 1.11Å | |
| O74 | H74 | sing | 0.97Å | 0.95Å | |
| C30 | C48 | sing | 1.53Å | 1.52Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C30 | H30 | 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 | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| C28 | C27 | sing | 1.51Å | 1.55Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C27 | C26 | doub | 1.33Å | 1.33Å | |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C26 | C25 | sing | 1.47Å | 1.37Å | |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C25 | C24 | doub | 1.33Å | 1.34Å | |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C24 | C49 | sing | 1.51Å | 1.53Å | |
| C24 | C23 | sing | 1.51Å | 1.52Å | |
| C49 | H491 | sing | 1.09Å | 1.11Å | |
| C49 | H492 | sing | 1.09Å | 1.12Å | |
| C49 | H493 | sing | 1.09Å | 1.12Å | |
| C23 | O65 | sing | 1.45Å | 1.46Å | |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| C23 | H23 | sing | 1.09Å | 1.12Å | |
| O65 | C1 | sing | 1.34Å | 1.34Å | |
| C22 | C21 | sing | 1.51Å | 1.53Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C21 | C20 | doub | 1.33Å | 1.34Å | |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C20 | C19 | sing | 1.47Å | 1.34Å | |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C19 | C18 | doub | 1.33Å | 1.35Å | |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C18 | C17 | sing | 1.51Å | 1.55Å | |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C17 | O73 | sing | 1.43Å | 1.44Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | H17 | sing | 1.09Å | 1.11Å | |
| O73 | H73 | sing | 0.97Å | 0.95Å | |
| C16 | C50 | sing | 1.53Å | 1.55Å | |
| C16 | C15 | sing | 1.53Å | 1.58Å | |
| C16 | H16 | sing | 1.09Å | 1.12Å | |
| C50 | H501 | sing | 1.09Å | 1.12Å | |
| C50 | H502 | sing | 1.09Å | 1.12Å | |
| C50 | H503 | sing | 1.09Å | 1.12Å | |
| C15 | O72 | sing | 1.43Å | 1.44Å | |
| C15 | C14 | sing | 1.53Å | 1.57Å | |
| C15 | H15 | sing | 1.09Å | 1.11Å | |
| O72 | H72 | sing | 0.97Å | 0.95Å | |
| C14 | C51 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.51Å | 1.56Å | |
| C14 | H14 | sing | 1.09Å | 1.12Å | |
| C51 | C52 | sing | 1.53Å | 1.54Å | |
| C51 | H511 | sing | 1.09Å | 1.11Å | |
| C51 | H512 | sing | 1.09Å | 1.12Å | |
| C52 | C53 | sing | 1.51Å | 1.52Å | |
| C52 | H521 | sing | 1.09Å | 1.11Å | |
| C52 | H522 | sing | 1.09Å | 1.11Å | |
| C53 | C54 | sing | 1.51Å | 1.52Å | |
| C53 | O71 | doub | 1.21Å | 1.24Å | |
| C54 | H541 | sing | 1.09Å | 1.11Å | |
| C54 | H542 | sing | 1.09Å | 1.12Å | |
| C54 | H543 | sing | 1.09Å | 1.11Å | |
| C13 | O70 | doub | 1.21Å | 1.24Å | |
| C13 | N12 | sing | 1.36Å | 1.34Å | |
| N12 | C11 | sing | 1.48Å | 1.47Å | |
| N12 | H12 | sing | 0.97Å | 1.02Å | |
| C11 | C55 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C11 | H11 | sing | 1.09Å | 1.12Å | |
| C55 | C56 | sing | 1.53Å | 1.54Å | |
| C55 | C57 | sing | 1.53Å | 1.52Å | |
| C55 | H55 | sing | 1.09Å | 1.12Å | |
| C56 | H561 | sing | 1.09Å | 1.11Å | |
| C56 | H562 | sing | 1.09Å | 1.11Å | |
| C56 | H563 | sing | 1.09Å | 1.12Å | |
| C57 | H571 | sing | 1.09Å | 1.11Å | |
| C57 | H572 | sing | 1.09Å | 1.11Å | |
| C57 | H573 | sing | 1.09Å | 1.12Å | |
| C10 | O69 | doub | 1.21Å | 1.22Å | |
| C10 | N9 | sing | 1.36Å | 1.32Å | |
| N9 | C8 | sing | 1.48Å | 1.45Å | |
| N9 | HN9 | sing | 0.97Å | 1.02Å | |
| C8 | C58 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.12Å | |
| C58 | C59 | sing | 1.51Å | 1.50Å | |
| C58 | H581 | sing | 1.09Å | 1.11Å | |
| C58 | H582 | sing | 1.09Å | 1.11Å | |
| C59 | C60 | doub | 1.38Å | 1.40Å | Aromatic |
| C59 | C64 | sing | 1.38Å | 1.39Å | Aromatic |
| C60 | C61 | sing | 1.39Å | 1.38Å | Aromatic |
| C60 | H60 | sing | 1.08Å | 1.10Å | |
| C61 | O68 | sing | 1.36Å | 1.37Å | |
| C61 | C62 | doub | 1.39Å | 1.38Å | Aromatic |
| O68 | H68 | sing | 0.97Å | 0.95Å | |
| C62 | C63 | sing | 1.38Å | 1.37Å | Aromatic |
| C62 | H62 | sing | 1.08Å | 1.10Å | |
| C63 | C64 | doub | 1.38Å | 1.38Å | Aromatic |
| C63 | H63 | sing | 1.08Å | 1.10Å | |
| C64 | H64 | sing | 1.08Å | 1.10Å | |
| C7 | O67 | doub | 1.21Å | 1.22Å | |
| C7 | N6 | sing | 1.35Å | 1.34Å | |
| N6 | N65 | sing | 1.36Å | 1.39Å | |
| N6 | C5 | sing | 1.47Å | 1.48Å | |
| N65 | C2 | sing | 1.46Å | 1.47Å | |
| N65 | H65 | sing | 1.01Å | 1.02Å | |
| C5 | C4 | sing | 1.54Å | 1.52Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42A | sing | 1.09Å | 1.12Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C3 | H31A | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | H2 | sing | 1.10Å | 1.12Å | |
| C1 | O66 | doub | 1.21Å | 1.21Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O77 | C41 | C40 | 121.3° | 118.9° |
| O77 | C41 | N42 | 118.9° | 119.2° |
| C40 | C41 | N42 | 119.8° | 121.9° |
| C41 | C40 | C43 | 110.3° | 109.2° |
| C41 | C40 | C39 | 111.7° | 108.2° |
| C41 | C40 | H40 | 106.8° | 110.0° |
| C41 | N42 | C37 | 126.1° | 125.8° |
| C41 | N42 | H42 | 111.4° | 115.8° |
| C43 | C40 | C39 | 107.5° | 109.4° |
| C43 | C40 | H40 | 111.0° | 109.4° |
| C40 | C43 | C44 | 115.4° | 109.5° |
| C40 | C43 | H431 | 110.1° | 109.4° |
| C40 | C43 | H432 | 110.1° | 109.5° |
| C39 | C40 | H40 | 109.6° | 110.6° |
| C40 | C39 | C38 | 111.4° | 110.5° |
| C40 | C39 | H391 | 111.5° | 108.7° |
| C40 | C39 | H392 | 111.5° | 109.4° |
| C44 | C43 | H431 | 110.1° | 109.5° |
| C44 | C43 | H432 | 110.0° | 109.5° |
| C43 | C44 | H441 | 110.1° | 109.5° |
| C43 | C44 | H442 | 115.4° | 109.5° |
| C43 | C44 | H443 | 110.0° | 109.4° |
| H431 | C43 | H432 | 100.1° | 109.5° |
| H441 | C44 | H442 | 110.1° | 109.5° |
| H441 | C44 | H443 | 100.2° | 109.5° |
| H442 | C44 | H443 | 110.0° | 109.5° |
| C38 | C39 | H391 | 111.5° | 109.5° |
| C38 | C39 | H392 | 111.5° | 111.0° |
| C39 | C38 | C37 | 108.5° | 113.4° |
| C39 | C38 | C45 | 109.0° | 110.1° |
| C39 | C38 | H38 | 110.6° | 108.8° |
| H391 | C39 | H392 | 98.9° | 107.6° |
| C37 | N42 | H42 | 122.6° | 118.4° |
| N42 | C37 | O76 | 109.3° | 108.8° |
| N42 | C37 | C38 | 111.3° | 113.0° |
| N42 | C37 | C36 | 111.1° | 110.8° |
| O76 | C37 | C38 | 106.1° | 106.0° |
| O76 | C37 | C36 | 106.7° | 109.4° |
| C37 | O76 | C33 | 117.8° | 109.2° |
| C38 | C37 | C36 | 112.2° | 108.7° |
| C37 | C38 | C45 | 109.9° | 109.2° |
| C37 | C38 | H38 | 109.7° | 107.9° |
| C37 | C36 | C46 | 110.5° | 110.1° |
| C37 | C36 | C35 | 110.2° | 112.1° |
| C37 | C36 | H36 | 109.0° | 108.8° |
| O76 | C33 | C34 | 108.8° | 109.4° |
| O76 | C33 | C32 | 113.5° | 109.2° |
| O76 | C33 | H33 | 107.2° | 110.6° |
| C45 | C38 | H38 | 109.2° | 107.3° |
| C38 | C45 | H451 | 112.4° | 109.4° |
| C38 | C45 | H452 | 109.0° | 109.5° |
| C38 | C45 | H453 | 112.4° | 109.4° |
| H451 | C45 | H452 | 112.3° | 109.5° |
| H451 | C45 | H453 | 98.1° | 109.5° |
| H452 | C45 | H453 | 112.4° | 109.5° |
| C46 | C36 | C35 | 111.5° | 108.5° |
| C46 | C36 | H36 | 107.6° | 108.3° |
| C36 | C46 | H461 | 111.8° | 109.5° |
| C36 | C46 | H462 | 110.5° | 109.5° |
| C36 | C46 | H463 | 111.8° | 109.5° |
| C35 | C36 | H36 | 107.9° | 108.9° |
| C36 | C35 | O75 | 111.6° | 110.5° |
| C36 | C35 | C34 | 109.8° | 110.5° |
| C36 | C35 | H35 | 107.6° | 108.5° |
| H461 | C46 | H462 | 111.8° | 109.5° |
| H461 | C46 | H463 | 98.6° | 109.5° |
| H462 | C46 | H463 | 111.8° | 109.4° |
| O75 | C35 | C34 | 109.1° | 110.4° |
| O75 | C35 | H35 | 108.4° | 108.3° |
| C35 | O75 | H75 | 111.6° | 106.8° |
| C34 | C35 | H35 | 110.2° | 108.6° |
| C35 | C34 | C47 | 109.8° | 109.7° |
| C35 | C34 | C33 | 109.6° | 109.1° |
| C35 | C34 | H34 | 110.8° | 109.8° |
| C47 | C34 | C33 | 113.9° | 109.4° |
| C47 | C34 | H34 | 106.1° | 109.3° |
| C34 | C47 | H471 | 112.1° | 109.5° |
| C34 | C47 | H472 | 109.8° | 109.4° |
| C34 | C47 | H473 | 112.1° | 109.5° |
| C33 | C34 | H34 | 106.5° | 109.6° |
| C34 | C33 | C32 | 109.6° | 109.1° |
| C34 | C33 | H33 | 111.3° | 109.7° |
| H471 | C47 | H472 | 112.1° | 109.5° |
| H471 | C47 | H473 | 98.3° | 109.5° |
| H472 | C47 | H473 | 112.1° | 109.4° |
| C32 | C33 | H33 | 106.3° | 108.9° |
| C33 | C32 | C31 | 110.8° | 109.4° |
| C33 | C32 | H321 | 111.7° | 109.5° |
| C33 | C32 | H322 | 111.7° | 109.4° |
| C31 | C32 | H321 | 111.7° | 109.5° |
| C31 | C32 | H322 | 111.7° | 109.5° |
| C32 | C31 | O74 | 107.5° | 109.5° |
| C32 | C31 | C30 | 109.9° | 109.5° |
| C32 | C31 | H31 | 110.5° | 109.5° |
| H321 | C32 | H322 | 98.7° | 109.5° |
| O74 | C31 | C30 | 109.5° | 109.5° |
| O74 | C31 | H31 | 110.9° | 109.5° |
| C31 | O74 | H74 | 107.5° | 106.8° |
| C30 | C31 | H31 | 108.5° | 109.4° |
| C31 | C30 | C48 | 110.7° | 109.4° |
| C31 | C30 | C29 | 110.2° | 109.5° |
| C31 | C30 | H30 | 108.4° | 109.5° |
| C48 | C30 | C29 | 110.2° | 109.5° |
| C48 | C30 | H30 | 108.4° | 109.5° |
| C30 | C48 | H481 | 111.8° | 109.5° |
| C30 | C48 | H482 | 110.7° | 109.5° |
| C30 | C48 | H483 | 111.8° | 109.5° |
| C29 | C30 | H30 | 108.9° | 109.5° |
| C30 | C29 | C28 | 113.2° | 109.5° |
| C30 | C29 | H291 | 110.9° | 109.5° |
| C30 | C29 | H292 | 110.8° | 109.5° |
| H481 | C48 | H482 | 111.7° | 109.4° |
| H481 | C48 | H483 | 98.6° | 109.4° |
| H482 | C48 | H483 | 111.8° | 109.5° |
| C28 | C29 | H291 | 110.8° | 109.5° |
| C28 | C29 | H292 | 110.8° | 109.5° |
| C29 | C28 | C27 | 110.1° | 109.5° |
| C29 | C28 | H281 | 112.0° | 109.4° |
| C29 | C28 | H282 | 112.0° | 109.5° |
| H291 | C29 | H292 | 99.5° | 109.5° |
| C27 | C28 | H281 | 112.0° | 109.5° |
| C27 | C28 | H282 | 112.0° | 109.5° |
| C28 | C27 | C26 | 123.9° | 120.0° |
| C28 | C27 | H27 | 126.2° | 120.0° |
| H281 | C28 | H282 | 98.4° | 109.5° |
| C26 | C27 | H27 | 110.0° | 120.0° |
| C27 | C26 | C25 | 119.2° | 120.0° |
| C27 | C26 | H26 | 119.2° | 120.0° |
| C25 | C26 | H26 | 121.6° | 120.0° |
| C26 | C25 | C24 | 122.1° | 120.0° |
| C26 | C25 | H25 | 119.9° | 120.0° |
| C24 | C25 | H25 | 118.0° | 120.0° |
| C25 | C24 | C49 | 125.2° | 120.0° |
| C25 | C24 | C23 | 124.1° | 120.0° |
| C49 | C24 | C23 | 110.6° | 120.0° |
| C24 | C49 | H491 | 106.7° | 109.5° |
| C24 | C49 | H492 | 125.2° | 109.5° |
| C24 | C49 | H493 | 106.7° | 109.5° |
| C24 | C23 | O65 | 105.6° | 109.4° |
| C24 | C23 | C22 | 110.9° | 109.4° |
| C24 | C23 | H23 | 112.4° | 109.4° |
| H491 | C49 | H492 | 106.7° | 109.4° |
| H491 | C49 | H493 | 102.9° | 109.4° |
| H492 | C49 | H493 | 106.7° | 109.4° |
| O65 | C23 | C22 | 113.2° | 109.7° |
| O65 | C23 | H23 | 110.1° | 109.5° |
| C23 | O65 | C1 | 119.7° | 120.3° |
| C22 | C23 | H23 | 104.8° | 109.4° |
| C23 | C22 | C21 | 113.0° | 108.5° |
| C23 | C22 | H221 | 110.9° | 109.6° |
| C23 | C22 | H222 | 110.9° | 109.6° |
| O65 | C1 | C2 | 110.6° | 119.3° |
| O65 | C1 | O66 | 127.3° | 120.4° |
| C21 | C22 | H221 | 110.9° | 109.7° |
| C21 | C22 | H222 | 110.9° | 109.6° |
| C22 | C21 | C20 | 121.5° | 119.2° |
| C22 | C21 | H21 | 125.9° | 120.4° |
| H221 | C22 | H222 | 99.4° | 109.9° |
| C20 | C21 | H21 | 112.7° | 120.4° |
| C21 | C20 | C19 | 119.8° | 120.3° |
| C21 | C20 | H20 | 120.0° | 119.8° |
| C19 | C20 | H20 | 120.2° | 119.9° |
| C20 | C19 | C18 | 121.8° | 119.1° |
| C20 | C19 | H19 | 118.9° | 120.3° |
| C18 | C19 | H19 | 119.3° | 120.7° |
| C19 | C18 | C17 | 122.4° | 120.5° |
| C19 | C18 | H18 | 111.6° | 119.4° |
| C17 | C18 | H18 | 126.0° | 120.0° |
| C18 | C17 | O73 | 112.4° | 109.5° |
| C18 | C17 | C16 | 110.1° | 108.9° |
| C18 | C17 | H17 | 106.5° | 109.6° |
| O73 | C17 | C16 | 108.0° | 109.6° |
| O73 | C17 | H17 | 108.7° | 109.6° |
| C17 | O73 | H73 | 112.4° | 106.8° |
| C16 | C17 | H17 | 111.1° | 109.6° |
| C17 | C16 | C50 | 108.5° | 109.6° |
| C17 | C16 | C15 | 108.5° | 109.2° |
| C17 | C16 | H16 | 111.8° | 109.5° |
| C50 | C16 | C15 | 112.6° | 109.5° |
| C50 | C16 | H16 | 107.7° | 109.5° |
| C16 | C50 | H501 | 112.6° | 109.4° |
| C16 | C50 | H502 | 108.5° | 109.5° |
| C16 | C50 | H503 | 112.6° | 109.5° |
| C15 | C16 | H16 | 107.7° | 109.5° |
| C16 | C15 | O72 | 111.0° | 109.5° |
| C16 | C15 | C14 | 113.2° | 109.6° |
| C16 | C15 | H15 | 106.6° | 109.4° |
| H501 | C50 | H502 | 112.5° | 109.5° |
| H501 | C50 | H503 | 97.9° | 109.5° |
| H502 | C50 | H503 | 112.6° | 109.5° |
| O72 | C15 | C14 | 111.9° | 109.4° |
| O72 | C15 | H15 | 108.0° | 109.5° |
| C15 | O72 | H72 | 111.0° | 106.7° |
| C14 | C15 | H15 | 105.7° | 109.4° |
| C15 | C14 | C51 | 108.0° | 109.5° |
| C15 | C14 | C13 | 114.1° | 109.6° |
| C15 | C14 | H14 | 107.5° | 109.5° |
| C51 | C14 | C13 | 109.9° | 109.4° |
| C51 | C14 | H14 | 111.9° | 109.5° |
| C14 | C51 | C52 | 112.6° | 109.5° |
| C14 | C51 | H511 | 111.1° | 109.5° |
| C14 | C51 | H512 | 111.1° | 109.4° |
| C13 | C14 | H14 | 105.5° | 109.5° |
| C14 | C13 | O70 | 120.7° | 120.3° |
| C14 | C13 | N12 | 118.1° | 119.5° |
| C52 | C51 | H511 | 111.1° | 109.5° |
| C52 | C51 | H512 | 111.1° | 109.5° |
| C51 | C52 | C53 | 110.6° | 109.5° |
| C51 | C52 | H521 | 111.8° | 109.5° |
| C51 | C52 | H522 | 111.8° | 109.5° |
| H511 | C51 | H512 | 99.3° | 109.5° |
| C53 | C52 | H521 | 111.8° | 109.5° |
| C53 | C52 | H522 | 111.8° | 109.4° |
| C52 | C53 | C54 | 121.7° | 120.0° |
| C52 | C53 | O71 | 124.2° | 120.0° |
| H521 | C52 | H522 | 98.6° | 109.5° |
| C54 | C53 | O71 | 114.1° | 120.0° |
| C53 | C54 | H541 | 107.8° | 109.5° |
| C53 | C54 | H542 | 121.7° | 109.5° |
| C53 | C54 | H543 | 107.9° | 109.4° |
| H541 | C54 | H542 | 107.9° | 109.4° |
| H541 | C54 | H543 | 102.0° | 109.5° |
| H542 | C54 | H543 | 107.9° | 109.5° |
| O70 | C13 | N12 | 121.2° | 120.3° |
| C13 | N12 | C11 | 121.6° | 116.5° |
| C13 | N12 | H12 | 114.6° | 121.7° |
| C11 | N12 | H12 | 123.8° | 121.8° |
| N12 | C11 | C55 | 110.5° | 109.6° |
| N12 | C11 | C10 | 102.4° | 108.6° |
| N12 | C11 | H11 | 114.1° | 109.6° |
| C55 | C11 | C10 | 111.7° | 109.7° |
| C55 | C11 | H11 | 105.3° | 109.6° |
| C11 | C55 | C56 | 109.0° | 109.5° |
| C11 | C55 | C57 | 110.3° | 109.5° |
| C11 | C55 | H55 | 109.4° | 109.5° |
| C10 | C11 | H11 | 113.0° | 109.7° |
| C11 | C10 | O69 | 121.9° | 120.4° |
| C11 | C10 | N9 | 113.4° | 119.2° |
| C56 | C55 | C57 | 110.2° | 109.4° |
| C56 | C55 | H55 | 109.6° | 109.5° |
| C55 | C56 | H561 | 112.4° | 109.4° |
| C55 | C56 | H562 | 109.0° | 109.4° |
| C55 | C56 | H563 | 112.4° | 109.5° |
| C57 | C55 | H55 | 108.3° | 109.4° |
| C55 | C57 | H571 | 111.9° | 109.4° |
| C55 | C57 | H572 | 110.4° | 109.5° |
| C55 | C57 | H573 | 111.9° | 109.4° |
| H561 | C56 | H562 | 112.4° | 109.5° |
| H561 | C56 | H563 | 98.1° | 109.5° |
| H562 | C56 | H563 | 112.4° | 109.5° |
| H571 | C57 | H572 | 111.9° | 109.6° |
| H571 | C57 | H573 | 98.5° | 109.4° |
| H572 | C57 | H573 | 111.9° | 109.5° |
| O69 | C10 | N9 | 124.7° | 120.4° |
| C10 | N9 | C8 | 125.2° | 115.0° |
| C10 | N9 | HN9 | 112.1° | 122.5° |
| C8 | N9 | HN9 | 122.6° | 122.5° |
| N9 | C8 | C58 | 103.4° | 109.6° |
| N9 | C8 | C7 | 110.3° | 108.6° |
| N9 | C8 | H8 | 113.7° | 109.6° |
| C58 | C8 | C7 | 111.8° | 109.8° |
| C58 | C8 | H8 | 112.2° | 109.6° |
| C8 | C58 | C59 | 114.8° | 109.5° |
| C8 | C58 | H581 | 110.3° | 109.5° |
| C8 | C58 | H582 | 110.3° | 109.5° |
| C7 | C8 | H8 | 105.6° | 109.7° |
| C8 | C7 | O67 | 119.8° | 120.2° |
| C8 | C7 | N6 | 118.0° | 119.6° |
| C59 | C58 | H581 | 110.3° | 109.4° |
| C59 | C58 | H582 | 110.3° | 109.5° |
| C58 | C59 | C60 | 120.9° | 119.9° |
| C58 | C59 | C64 | 120.9° | 120.0° |
| H581 | C58 | H582 | 100.0° | 109.5° |
| C60 | C59 | C64 | 118.2° | 120.1° |
| C59 | C60 | C61 | 121.5° | 119.9° |
| C59 | C60 | H60 | 120.1° | 120.0° |
| C59 | C64 | C63 | 119.9° | 120.1° |
| C59 | C64 | H64 | 120.4° | 119.9° |
| C61 | C60 | H60 | 118.4° | 120.1° |
| C60 | C61 | O68 | 118.9° | 120.0° |
| C60 | C61 | C62 | 119.6° | 119.9° |
| O68 | C61 | C62 | 121.5° | 120.1° |
| C61 | O68 | H68 | 118.9° | 106.8° |
| C61 | C62 | C63 | 119.6° | 119.9° |
| C61 | C62 | H62 | 120.5° | 120.1° |
| C63 | C62 | H62 | 119.9° | 120.0° |
| C62 | C63 | C64 | 121.3° | 120.1° |
| C62 | C63 | H63 | 119.1° | 120.0° |
| C64 | C63 | H63 | 119.7° | 120.0° |
| C63 | C64 | H64 | 119.8° | 120.0° |
| O67 | C7 | N6 | 122.2° | 120.2° |
| C7 | N6 | N65 | 122.8° | 120.5° |
| C7 | N6 | C5 | 121.3° | 119.5° |
| N65 | N6 | C5 | 115.2° | 120.0° |
| N6 | N65 | C2 | 114.6° | 107.9° |
| N6 | N65 | H65 | 110.3° | 106.7° |
| N6 | C5 | C4 | 109.6° | 107.9° |
| N6 | C5 | H51 | 112.1° | 109.7° |
| N6 | C5 | H52 | 112.2° | 109.8° |
| C2 | N65 | H65 | 110.3° | 106.7° |
| N65 | C2 | C3 | 109.6° | 110.4° |
| N65 | C2 | C1 | 111.5° | 110.8° |
| N65 | C2 | H2 | 108.0° | 108.9° |
| C4 | C5 | H51 | 112.1° | 109.8° |
| C4 | C5 | H52 | 112.1° | 109.8° |
| C5 | C4 | C3 | 112.7° | 107.3° |
| C5 | C4 | H41 | 111.0° | 109.9° |
| C5 | C4 | H42A | 111.0° | 109.9° |
| H51 | C5 | H52 | 98.3° | 109.9° |
| C3 | C4 | H41 | 111.0° | 109.9° |
| C3 | C4 | H42A | 111.0° | 109.9° |
| C4 | C3 | C2 | 112.8° | 109.2° |
| C4 | C3 | H31A | 111.0° | 109.5° |
| C4 | C3 | H32 | 111.0° | 109.6° |
| H41 | C4 | H42A | 99.3° | 110.0° |
| C2 | C3 | H31A | 111.0° | 109.5° |
| C2 | C3 | H32 | 111.0° | 109.5° |
| C3 | C2 | C1 | 109.7° | 109.6° |
| C3 | C2 | H2 | 110.0° | 108.6° |
| H31A | C3 | H32 | 99.3° | 109.5° |
| C1 | C2 | H2 | 108.0° | 108.4° |
| C2 | C1 | O66 | 122.1° | 120.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O77 | C41 | C40 | N42 | 179.9° | 179.9° |
| O77 | C41 | C40 | C43 | 74.9° | 35.3° |
| O77 | C41 | C40 | C39 | 165.7° | 154.3° |
| O77 | C41 | C40 | H40 | 45.9° | 84.8° |
| O77 | C41 | N42 | C37 | 177.3° | 173.5° |
| O77 | C41 | N42 | H42 | 2.8° | 6.0° |
| C41 | C40 | C43 | C39 | 122.0° | 118.3° |
| C41 | C40 | C43 | H40 | 118.1° | 120.4° |
| C41 | C40 | C39 | H40 | 118.2° | 120.5° |
| C41 | C40 | C43 | C44 | 64.3° | 175.9° |
| C41 | C40 | C43 | H431 | 170.5° | 64.0° |
| C41 | C40 | C43 | H432 | 61.0° | 55.9° |
| C41 | C40 | C39 | C38 | 45.3° | 55.0° |
| C41 | C40 | C39 | H391 | 170.5° | 175.2° |
| C41 | C40 | C39 | H392 | 80.0° | 67.5° |
| C40 | C41 | N42 | C37 | 2.9° | 6.5° |
| C40 | C41 | N42 | H42 | 177.1° | 174.0° |
| N42 | C41 | C40 | C43 | 105.0° | 144.7° |
| N42 | C41 | C40 | C39 | 14.4° | 25.7° |
| N42 | C41 | C40 | H40 | 134.3° | 95.2° |
| C41 | N42 | C37 | H42 | 180.0° | 179.5° |
| C41 | N42 | C37 | O76 | 95.7° | 109.6° |
| C41 | N42 | C37 | C38 | 21.1° | 7.8° |
| C41 | N42 | C37 | C36 | 146.9° | 130.1° |
| C43 | C40 | C39 | H40 | 120.8° | 120.6° |
| C40 | C43 | C44 | H431 | 125.3° | 120.0° |
| C40 | C43 | C44 | H432 | 125.3° | 120.0° |
| C40 | C43 | H431 | H432 | 115.9° | 120.0° |
| C40 | C43 | C44 | H441 | 54.7° | 65.5° |
| C40 | C43 | C44 | H442 | 180.0° | 54.5° |
| C40 | C43 | C44 | H443 | 54.8° | 174.5° |
| C43 | C40 | C39 | C38 | 75.8° | 173.9° |
| C43 | C40 | C39 | H391 | 49.5° | 65.9° |
| C43 | C40 | C39 | H392 | 158.9° | 51.4° |
| C39 | C40 | C43 | C44 | 173.8° | 65.8° |
| C39 | C40 | C43 | H431 | 48.5° | 54.3° |
| C39 | C40 | C43 | H432 | 61.0° | 174.2° |
| C40 | C39 | C38 | H391 | 125.2° | 119.7° |
| C40 | C39 | C38 | H392 | 125.3° | 121.6° |
| C40 | C39 | H391 | H392 | 117.4° | 118.4° |
| C40 | C39 | C38 | C37 | 64.0° | 56.0° |
| C40 | C39 | C38 | C45 | 176.4° | 66.6° |
| C40 | C39 | C38 | H38 | 56.4° | 176.1° |
| H40 | C40 | C43 | C44 | 53.9° | 55.5° |
| H40 | C40 | C43 | H431 | 71.4° | 175.6° |
| H40 | C40 | C43 | H432 | 179.1° | 64.5° |
| H40 | C40 | C39 | C38 | 163.4° | 65.5° |
| H40 | C40 | C39 | H391 | 71.3° | 54.7° |
| H40 | C40 | C39 | H392 | 38.2° | 172.0° |
| C44 | C43 | H431 | H432 | 115.8° | 120.0° |
| C43 | C44 | H441 | H442 | 128.3° | 120.0° |
| C43 | C44 | H441 | H443 | 115.9° | 119.9° |
| C43 | C44 | H442 | H443 | 125.2° | 120.0° |
| H431 | C43 | C44 | H441 | 180.0° | 54.5° |
| H431 | C43 | C44 | H442 | 54.7° | 174.5° |
| H431 | C43 | C44 | H443 | 70.5° | 65.5° |
| H432 | C43 | C44 | H441 | 70.6° | 174.5° |
| H432 | C43 | C44 | H442 | 54.7° | 65.5° |
| H432 | C43 | C44 | H443 | 180.0° | 54.5° |
| H441 | C44 | H442 | H443 | 109.5° | 120.0° |
| C38 | C39 | H391 | H392 | 117.4° | 120.7° |
| C39 | C38 | C37 | N42 | 50.1° | 23.9° |
| C39 | C38 | C37 | O76 | 68.7° | 143.0° |
| C39 | C38 | C37 | C45 | 119.0° | 123.2° |
| C39 | C38 | C37 | H38 | 120.9° | 120.6° |
| C39 | C38 | C37 | C36 | 175.2° | 99.6° |
| C39 | C38 | C45 | H38 | 120.9° | 118.2° |
| C39 | C38 | C45 | H451 | 54.8° | 60.0° |
| C39 | C38 | C45 | H452 | 180.0° | 180.0° |
| C39 | C38 | C45 | H453 | 54.8° | 59.9° |
| H391 | C39 | C38 | C37 | 170.8° | 175.8° |
| H391 | C39 | C38 | C45 | 51.2° | 53.1° |
| H391 | C39 | C38 | H38 | 68.9° | 64.1° |
| H392 | C39 | C38 | C37 | 61.3° | 65.5° |
| H392 | C39 | C38 | C45 | 58.3° | 171.8° |
| H392 | C39 | C38 | H38 | 178.4° | 54.5° |
| N42 | C37 | O76 | C38 | 120.1° | 121.8° |
| N42 | C37 | O76 | C36 | 120.2° | 121.2° |
| N42 | C37 | C38 | C36 | 125.1° | 123.5° |
| N42 | C37 | O76 | C33 | 57.4° | 56.2° |
| N42 | C37 | C38 | C45 | 169.1° | 99.2° |
| N42 | C37 | C38 | H38 | 70.8° | 144.5° |
| N42 | C37 | C36 | C46 | 60.3° | 55.5° |
| N42 | C37 | C36 | C35 | 63.5° | 65.4° |
| N42 | C37 | C36 | H36 | 178.3° | 174.1° |
| H42 | N42 | C37 | O76 | 84.4° | 69.9° |
| H42 | N42 | C37 | C38 | 158.8° | 172.7° |
| H42 | N42 | C37 | C36 | 33.1° | 50.4° |
| O76 | C37 | C38 | C36 | 116.1° | 117.5° |
| O76 | C37 | C38 | C45 | 50.4° | 19.8° |
| O76 | C37 | C38 | H38 | 170.5° | 96.5° |
| O76 | C37 | C36 | C46 | 179.3° | 175.4° |
| O76 | C37 | C36 | C35 | 55.5° | 54.5° |
| O76 | C37 | C36 | H36 | 62.7° | 66.0° |
| C37 | O76 | C33 | C34 | 63.0° | 69.3° |
| C37 | O76 | C33 | C32 | 174.7° | 171.4° |
| C37 | O76 | C33 | H33 | 57.5° | 51.7° |
| C38 | C37 | O76 | C33 | 177.4° | 178.0° |
| C37 | C38 | C45 | H38 | 120.4° | 116.7° |
| C37 | C38 | C45 | H451 | 173.5° | 174.8° |
| C37 | C38 | C45 | H452 | 61.3° | 54.9° |
| C37 | C38 | C45 | H453 | 64.0° | 65.2° |
| C38 | C37 | C36 | C46 | 65.0° | 69.3° |
| C38 | C37 | C36 | C35 | 171.3° | 169.8° |
| C38 | C37 | C36 | H36 | 53.0° | 49.3° |
| C36 | C37 | O76 | C33 | 62.8° | 65.0° |
| C36 | C37 | C38 | C45 | 65.7° | 137.3° |
| C36 | C37 | C38 | H38 | 54.4° | 21.0° |
| C37 | C36 | C46 | C35 | 123.0° | 123.0° |
| C37 | C36 | C46 | H36 | 118.9° | 118.9° |
| C37 | C36 | C35 | H36 | 118.9° | 120.4° |
| C37 | C36 | C46 | H461 | 54.8° | 177.0° |
| C37 | C36 | C46 | H462 | 180.0° | 57.0° |
| C37 | C36 | C46 | H463 | 54.7° | 63.0° |
| C37 | C36 | C35 | O75 | 66.1° | 74.4° |
| C37 | C36 | C35 | C34 | 55.0° | 48.1° |
| C37 | C36 | C35 | H35 | 175.0° | 167.0° |
| O76 | C33 | C34 | C35 | 55.0° | 61.2° |
| O76 | C33 | C34 | C47 | 178.4° | 178.8° |
| O76 | C33 | C34 | C32 | 124.7° | 119.4° |
| O76 | C33 | C34 | H33 | 118.0° | 121.5° |
| O76 | C33 | C34 | H34 | 64.9° | 59.0° |
| O76 | C33 | C32 | H33 | 117.7° | 120.8° |
| O76 | C33 | C32 | C31 | 69.7° | 65.0° |
| O76 | C33 | C32 | H321 | 165.0° | 55.0° |
| O76 | C33 | C32 | H322 | 55.5° | 175.0° |
| C38 | C45 | H451 | H452 | 123.3° | 120.0° |
| C38 | C45 | H451 | H453 | 118.4° | 120.0° |
| C38 | C45 | H452 | H453 | 125.3° | 120.0° |
| H38 | C38 | C45 | H451 | 66.1° | 58.2° |
| H38 | C38 | C45 | H452 | 59.1° | 61.8° |
| H38 | C38 | C45 | H453 | 175.6° | 178.2° |
| H451 | C45 | H452 | H453 | 109.5° | 120.1° |
| C46 | C36 | C35 | H36 | 118.0° | 117.7° |
| C36 | C46 | H461 | H462 | 124.5° | 120.0° |
| C36 | C46 | H461 | H463 | 117.7° | 120.0° |
| C36 | C46 | H462 | H463 | 125.2° | 120.0° |
| C46 | C36 | C35 | O75 | 57.0° | 47.4° |
| C46 | C36 | C35 | C34 | 178.1° | 169.9° |
| C46 | C36 | C35 | H35 | 61.8° | 71.1° |
| C35 | C36 | C46 | H461 | 68.2° | 60.0° |
| C35 | C36 | C46 | H462 | 57.0° | 180.0° |
| C35 | C36 | C46 | H463 | 177.7° | 60.0° |
| C36 | C35 | O75 | C34 | 121.5° | 122.6° |
| C36 | C35 | O75 | H35 | 118.4° | 118.7° |
| C36 | C35 | C34 | H35 | 118.4° | 118.9° |
| C36 | C35 | O75 | H75 | 180.0° | 177.4° |
| C36 | C35 | C34 | C47 | 179.5° | 170.0° |
| C36 | C35 | C34 | C33 | 53.7° | 50.2° |
| C36 | C35 | C34 | H34 | 63.5° | 69.9° |
| H36 | C36 | C46 | H461 | 173.6° | 58.1° |
| H36 | C36 | C46 | H462 | 61.1° | 61.9° |
| H36 | C36 | C46 | H463 | 64.1° | 178.1° |
| H36 | C36 | C35 | O75 | 175.0° | 165.1° |
| H36 | C36 | C35 | C34 | 63.9° | 72.4° |
| H36 | C36 | C35 | H35 | 56.1° | 46.6° |
| H461 | C46 | H462 | H463 | 109.5° | 120.0° |
| O75 | C35 | C34 | H35 | 119.0° | 118.5° |
| O75 | C35 | C34 | C47 | 56.9° | 47.5° |
| O75 | C35 | C34 | C33 | 68.9° | 72.3° |
| O75 | C35 | C34 | H34 | 173.9° | 167.6° |
| C34 | C35 | O75 | H75 | 58.5° | 60.0° |
| C35 | C34 | C47 | C33 | 123.3° | 119.6° |
| C35 | C34 | C47 | H34 | 119.9° | 120.4° |
| C35 | C34 | C33 | H34 | 119.9° | 120.2° |
| C35 | C34 | C47 | H471 | 54.7° | 179.7° |
| C35 | C34 | C47 | H472 | 180.0° | 60.3° |
| C35 | C34 | C47 | H473 | 54.7° | 59.6° |
| C35 | C34 | C33 | C32 | 179.6° | 179.4° |
| C35 | C34 | C33 | H33 | 63.0° | 60.3° |
| H35 | C35 | O75 | H75 | 61.6° | 58.7° |
| H35 | C35 | C34 | C47 | 62.0° | 71.1° |
| H35 | C35 | C34 | C33 | 172.1° | 169.1° |
| H35 | C35 | C34 | H34 | 54.9° | 49.0° |
| C47 | C34 | C33 | H34 | 116.6° | 119.8° |
| C34 | C47 | H471 | H472 | 124.0° | 120.0° |
| C34 | C47 | H471 | H473 | 118.0° | 120.0° |
| C34 | C47 | H472 | H473 | 125.3° | 119.9° |
| C47 | C34 | C33 | C32 | 56.9° | 59.4° |
| C47 | C34 | C33 | H33 | 60.5° | 59.7° |
| C33 | C34 | C47 | H471 | 68.6° | 60.0° |
| C33 | C34 | C47 | H472 | 56.7° | 179.9° |
| C33 | C34 | C47 | H473 | 178.1° | 60.0° |
| C34 | C33 | C32 | H33 | 120.5° | 119.7° |
| C34 | C33 | C32 | C31 | 168.4° | 175.4° |
| C34 | C33 | C32 | H321 | 43.2° | 64.5° |
| C34 | C33 | C32 | H322 | 66.3° | 55.5° |
| H34 | C34 | C47 | H471 | 174.6° | 59.9° |
| H34 | C34 | C47 | H472 | 60.1° | 60.1° |
| H34 | C34 | C47 | H473 | 65.1° | 180.0° |
| H34 | C34 | C33 | C32 | 59.7° | 60.4° |
| H34 | C34 | C33 | H33 | 177.1° | 179.5° |
| H471 | C47 | H472 | H473 | 109.5° | 120.0° |
| C33 | C32 | C31 | H321 | 125.3° | 120.0° |
| C33 | C32 | C31 | H322 | 125.3° | 119.9° |
| C33 | C32 | H321 | H322 | 117.6° | 119.9° |
| C33 | C32 | C31 | O74 | 85.5° | 65.0° |
| C33 | C32 | C31 | C30 | 155.4° | 175.0° |
| C33 | C32 | C31 | H31 | 35.6° | 55.0° |
| H33 | C33 | C32 | C31 | 48.0° | 55.8° |
| H33 | C33 | C32 | H321 | 77.3° | 175.8° |
| H33 | C33 | C32 | H322 | 173.2° | 64.2° |
| C31 | C32 | H321 | H322 | 117.6° | 120.1° |
| C32 | C31 | O74 | C30 | 119.3° | 120.0° |
| C32 | C31 | O74 | H31 | 120.9° | 120.0° |
| C32 | C31 | C30 | H31 | 121.0° | 120.0° |
| C32 | C31 | O74 | H74 | 180.0° | 60.0° |
| C32 | C31 | C30 | C48 | 60.1° | 65.0° |
| C32 | C31 | C30 | C29 | 177.7° | 175.0° |
| C32 | C31 | C30 | H30 | 58.7° | 54.9° |
| H321 | C32 | C31 | O74 | 39.7° | 175.0° |
| H321 | C32 | C31 | C30 | 79.4° | 55.0° |
| H321 | C32 | C31 | H31 | 160.9° | 65.0° |
| H322 | C32 | C31 | O74 | 149.2° | 54.9° |
| H322 | C32 | C31 | C30 | 30.1° | 65.1° |
| H322 | C32 | C31 | H31 | 89.7° | 175.0° |
| O74 | C31 | C30 | H31 | 121.2° | 120.0° |
| O74 | C31 | C30 | C48 | 57.7° | 55.0° |
| O74 | C31 | C30 | C29 | 64.4° | 65.0° |
| O74 | C31 | C30 | H30 | 176.5° | 174.9° |
| C30 | C31 | O74 | H74 | 60.6° | 60.0° |
| C31 | C30 | C48 | C29 | 122.1° | 120.0° |
| C31 | C30 | C48 | H30 | 118.8° | 120.0° |
| C31 | C30 | C29 | H30 | 118.8° | 120.0° |
| C31 | C30 | C48 | H481 | 54.7° | 180.0° |
| C31 | C30 | C48 | H482 | 180.0° | 60.1° |
| C31 | C30 | C48 | H483 | 54.7° | 60.0° |
| C31 | C30 | C29 | C28 | 72.4° | 175.0° |
| C31 | C30 | C29 | H291 | 52.8° | 65.0° |
| C31 | C30 | C29 | H292 | 162.3° | 55.0° |
| H31 | C31 | O74 | H74 | 59.1° | 180.0° |
| H31 | C31 | C30 | C48 | 178.9° | 175.0° |
| H31 | C31 | C30 | C29 | 56.8° | 55.0° |
| H31 | C31 | C30 | H30 | 62.3° | 65.0° |
| C48 | C30 | C29 | H30 | 118.8° | 120.0° |
| C30 | C48 | H481 | H482 | 124.7° | 120.0° |
| C30 | C48 | H481 | H483 | 117.7° | 120.0° |
| C30 | C48 | H482 | H483 | 125.3° | 120.1° |
| C48 | C30 | C29 | C28 | 165.1° | 65.0° |
| C48 | C30 | C29 | H291 | 69.6° | 55.0° |
| C48 | C30 | C29 | H292 | 39.9° | 175.0° |
| C29 | C30 | C48 | H481 | 67.4° | 60.0° |
| C29 | C30 | C48 | H482 | 57.9° | 180.0° |
| C29 | C30 | C48 | H483 | 176.8° | 59.9° |
| C30 | C29 | C28 | H291 | 125.3° | 120.0° |
| C30 | C29 | C28 | H292 | 125.3° | 120.0° |
| C30 | C29 | H291 | H292 | 116.7° | 120.0° |
| C30 | C29 | C28 | C27 | 69.2° | 180.0° |
| C30 | C29 | C28 | H281 | 56.1° | 60.0° |
| C30 | C29 | C28 | H282 | 165.6° | 60.0° |
| H30 | C30 | C48 | H481 | 173.5° | 60.1° |
| H30 | C30 | C48 | H482 | 61.2° | 59.9° |
| H30 | C30 | C48 | H483 | 64.1° | 180.0° |
| H30 | C30 | C29 | C28 | 46.3° | 55.0° |
| H30 | C30 | C29 | H291 | 171.6° | 175.0° |
| H30 | C30 | C29 | H292 | 78.9° | 65.0° |
| H481 | C48 | H482 | H483 | 109.4° | 119.9° |
| C28 | C29 | H291 | H292 | 116.7° | 120.0° |
| C29 | C28 | C27 | H281 | 125.3° | 120.0° |
| C29 | C28 | C27 | H282 | 125.3° | 120.0° |
| C29 | C28 | H281 | H282 | 117.9° | 120.0° |
| C29 | C28 | C27 | C26 | 125.9° | 125.0° |
| C29 | C28 | C27 | H27 | 54.1° | 55.0° |
| H291 | C29 | C28 | C27 | 165.5° | 60.0° |
| H291 | C29 | C28 | H281 | 69.2° | 180.0° |
| H291 | C29 | C28 | H282 | 40.3° | 60.0° |
| H292 | C29 | C28 | C27 | 56.1° | 60.0° |
| H292 | C29 | C28 | H281 | 178.6° | 60.0° |
| H292 | C29 | C28 | H282 | 69.2° | 180.0° |
| C27 | C28 | H281 | H282 | 117.9° | 120.0° |
| C28 | C27 | C26 | H27 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 180.0° | 180.0° |
| C28 | C27 | C26 | H26 | 0.0° | 0.0° |
| H281 | C28 | C27 | C26 | 0.6° | 5.0° |
| H281 | C28 | C27 | H27 | 179.4° | 174.9° |
| H282 | C28 | C27 | C26 | 108.8° | 115.0° |
| H282 | C28 | C27 | H27 | 71.2° | 65.1° |
| C27 | C26 | C25 | H26 | 180.0° | 179.9° |
| C27 | C26 | C25 | C24 | 179.8° | 174.9° |
| C27 | C26 | C25 | H25 | 0.2° | 5.1° |
| H27 | C27 | C26 | C25 | 0.1° | 0.0° |
| H27 | C27 | C26 | H26 | 179.9° | 179.9° |
| C26 | C25 | C24 | H25 | 180.0° | 180.0° |
| C26 | C25 | C24 | C49 | 0.0° | 5.6° |
| C26 | C25 | C24 | C23 | 179.9° | 174.3° |
| H26 | C26 | C25 | C24 | 0.2° | 5.2° |
| H26 | C26 | C25 | H25 | 179.8° | 174.9° |
| C25 | C24 | C49 | C23 | 179.9° | 180.0° |
| C25 | C24 | C49 | H491 | 54.7° | 5.0° |
| C25 | C24 | C49 | H492 | 180.0° | 125.0° |
| C25 | C24 | C49 | H493 | 54.7° | 115.0° |
| C25 | C24 | C23 | O65 | 19.4° | 124.9° |
| C25 | C24 | C23 | C22 | 103.6° | 114.9° |
| C25 | C24 | C23 | H23 | 139.5° | 5.0° |
| H25 | C25 | C24 | C49 | 180.0° | 174.4° |
| H25 | C25 | C24 | C23 | 0.1° | 5.6° |
| C24 | C49 | H491 | H492 | 135.9° | 120.0° |
| C24 | C49 | H491 | H493 | 112.1° | 120.0° |
| C24 | C49 | H492 | H493 | 125.3° | 120.0° |
| C49 | C24 | C23 | O65 | 160.7° | 55.1° |
| C49 | C24 | C23 | C22 | 76.3° | 65.1° |
| C49 | C24 | C23 | H23 | 40.6° | 175.0° |
| C23 | C24 | C49 | H491 | 125.4° | 175.0° |
| C23 | C24 | C49 | H492 | 0.1° | 55.0° |
| C23 | C24 | C49 | H493 | 125.2° | 65.0° |
| C24 | C23 | O65 | C22 | 121.5° | 120.0° |
| C24 | C23 | O65 | H23 | 121.6° | 119.8° |
| C24 | C23 | C22 | H23 | 121.5° | 119.9° |
| C24 | C23 | O65 | C1 | 144.6° | 94.4° |
| C24 | C23 | C22 | C21 | 172.0° | 109.2° |
| C24 | C23 | C22 | H221 | 62.7° | 131.1° |
| C24 | C23 | C22 | H222 | 46.8° | 10.5° |
| H491 | C49 | H492 | H493 | 109.4° | 119.9° |
| O65 | C23 | C22 | H23 | 120.0° | 120.1° |
| O65 | C23 | C22 | C21 | 53.6° | 130.8° |
| O65 | C23 | C22 | H221 | 178.8° | 11.1° |
| O65 | C23 | C22 | H222 | 71.7° | 109.5° |
| C23 | O65 | C1 | C2 | 177.6° | 178.1° |
| C23 | O65 | C1 | O66 | 0.9° | 2.0° |
| C22 | C23 | O65 | C1 | 93.9° | 145.5° |
| C23 | C22 | C21 | H221 | 125.3° | 119.6° |
| C23 | C22 | C21 | H222 | 125.2° | 119.7° |
| C23 | C22 | H221 | H222 | 116.8° | 120.5° |
| C23 | C22 | C21 | C20 | 139.2° | 49.3° |
| C23 | C22 | C21 | H21 | 40.7° | 130.1° |
| H23 | C23 | O65 | C1 | 23.0° | 25.4° |
| H23 | C23 | C22 | C21 | 66.4° | 10.7° |
| H23 | C23 | C22 | H221 | 58.8° | 109.0° |
| H23 | C23 | C22 | H222 | 168.3° | 130.4° |
| O65 | C1 | C2 | N65 | 147.9° | 143.2° |
| O65 | C1 | C2 | C3 | 90.5° | 94.7° |
| O65 | C1 | C2 | O66 | 178.6° | 180.0° |
| O65 | C1 | C2 | H2 | 29.4° | 23.7° |
| C21 | C22 | H221 | H222 | 116.8° | 120.6° |
| C22 | C21 | C20 | H21 | 180.0° | 179.5° |
| C22 | C21 | C20 | C19 | 179.4° | 178.8° |
| C22 | C21 | C20 | H20 | 0.6° | 1.8° |
| H221 | C22 | C21 | C20 | 95.5° | 169.0° |
| H221 | C22 | C21 | H21 | 84.5° | 10.5° |
| H222 | C22 | C21 | C20 | 14.0° | 70.4° |
| H222 | C22 | C21 | H21 | 166.0° | 110.2° |
| C21 | C20 | C19 | H20 | 180.0° | 179.4° |
| C21 | C20 | C19 | C18 | 179.9° | 168.0° |
| C21 | C20 | C19 | H19 | 0.1° | 12.5° |
| H21 | C21 | C20 | C19 | 0.6° | 0.7° |
| H21 | C21 | C20 | H20 | 179.4° | 178.7° |
| C20 | C19 | C18 | H19 | 180.0° | 179.5° |
| C20 | C19 | C18 | C17 | 179.5° | 179.1° |
| C20 | C19 | C18 | H18 | 0.5° | 0.4° |
| H20 | C20 | C19 | C18 | 0.1° | 12.6° |
| H20 | C20 | C19 | H19 | 179.9° | 166.9° |
| C19 | C18 | C17 | H18 | 180.0° | 179.5° |
| C19 | C18 | C17 | O73 | 118.3° | 1.4° |
| C19 | C18 | C17 | C16 | 121.3° | 121.3° |
| C19 | C18 | C17 | H17 | 0.7° | 118.8° |
| H19 | C19 | C18 | C17 | 0.5° | 1.4° |
| H19 | C19 | C18 | H18 | 179.5° | 179.1° |
| C18 | C17 | O73 | C16 | 121.6° | 119.4° |
| C18 | C17 | O73 | H17 | 117.7° | 120.3° |
| C18 | C17 | C16 | H17 | 117.8° | 119.8° |
| C18 | C17 | O73 | H73 | 180.0° | 60.0° |
| C18 | C17 | C16 | C50 | 50.0° | 132.6° |
| C18 | C17 | C16 | C15 | 172.6° | 12.7° |
| C18 | C17 | C16 | H16 | 68.7° | 107.3° |
| H18 | C18 | C17 | O73 | 61.7° | 178.1° |
| H18 | C18 | C17 | C16 | 58.7° | 58.2° |
| H18 | C18 | C17 | H17 | 179.3° | 61.7° |
| O73 | C17 | C16 | H17 | 119.2° | 120.3° |
| O73 | C17 | C16 | C50 | 173.1° | 12.8° |
| O73 | C17 | C16 | C15 | 64.3° | 107.2° |
| O73 | C17 | C16 | H16 | 54.4° | 132.9° |
| C16 | C17 | O73 | H73 | 58.4° | 179.5° |
| C17 | C16 | C50 | C15 | 120.1° | 119.8° |
| C17 | C16 | C50 | H16 | 121.2° | 120.1° |
| C17 | C16 | C15 | H16 | 121.2° | 119.9° |
| C17 | C16 | C50 | H501 | 54.7° | 60.0° |
| C17 | C16 | C50 | H502 | 180.0° | 180.0° |
| C17 | C16 | C50 | H503 | 54.7° | 60.0° |
| C17 | C16 | C15 | O72 | 55.4° | 72.4° |
| C17 | C16 | C15 | C14 | 177.8° | 167.6° |
| C17 | C16 | C15 | H15 | 62.1° | 47.6° |
| H17 | C17 | O73 | H73 | 62.3° | 60.2° |
| H17 | C17 | C16 | C50 | 67.8° | 107.5° |
| H17 | C17 | C16 | C15 | 54.9° | 132.5° |
| H17 | C17 | C16 | H16 | 173.6° | 12.6° |
| C50 | C16 | C15 | H16 | 118.6° | 120.1° |
| C16 | C50 | H501 | H502 | 123.0° | 120.0° |
| C16 | C50 | H501 | H503 | 118.5° | 120.0° |
| C16 | C50 | H502 | H503 | 125.3° | 120.0° |
| C50 | C16 | C15 | O72 | 64.7° | 47.6° |
| C50 | C16 | C15 | C14 | 62.1° | 72.4° |
| C50 | C16 | C15 | H15 | 177.8° | 167.6° |
| C15 | C16 | C50 | H501 | 174.9° | 179.8° |
| C15 | C16 | C50 | H502 | 59.9° | 60.2° |
| C15 | C16 | C50 | H503 | 65.4° | 59.8° |
| C16 | C15 | O72 | C14 | 127.5° | 120.1° |
| C16 | C15 | O72 | H15 | 116.6° | 120.0° |
| C16 | C15 | C14 | H15 | 116.3° | 120.0° |
| C16 | C15 | O72 | H72 | 180.0° | 60.0° |
| C16 | C15 | C14 | C51 | 165.0° | 96.0° |
| C16 | C15 | C14 | C13 | 72.4° | 144.0° |
| C16 | C15 | C14 | H14 | 44.2° | 23.9° |
| H16 | C16 | C50 | H501 | 66.5° | 60.1° |
| H16 | C16 | C50 | H502 | 58.7° | 59.9° |
| H16 | C16 | C50 | H503 | 176.0° | 179.9° |
| H16 | C16 | C15 | O72 | 176.6° | 167.7° |
| H16 | C16 | C15 | C14 | 56.6° | 47.7° |
| H16 | C16 | C15 | H15 | 59.2° | 72.3° |
| H501 | C50 | H502 | H503 | 109.5° | 120.0° |
| O72 | C15 | C14 | H15 | 117.4° | 120.0° |
| O72 | C15 | C14 | C51 | 68.6° | 144.0° |
| O72 | C15 | C14 | C13 | 54.0° | 24.0° |
| O72 | C15 | C14 | H14 | 170.6° | 96.1° |
| C14 | C15 | O72 | H72 | 52.5° | 179.8° |
| C15 | C14 | C51 | C13 | 125.1° | 120.1° |
| C15 | C14 | C51 | H14 | 118.1° | 120.0° |
| C15 | C14 | C13 | H14 | 117.7° | 120.1° |
| C15 | C14 | C51 | C52 | 177.2° | 64.7° |
| C15 | C14 | C51 | H511 | 57.5° | 55.3° |
| C15 | C14 | C51 | H512 | 51.9° | 175.3° |
| C15 | C14 | C13 | O70 | 132.9° | 44.8° |
| C15 | C14 | C13 | N12 | 46.2° | 135.2° |
| H15 | C15 | O72 | H72 | 63.4° | 59.9° |
| H15 | C15 | C14 | C51 | 48.8° | 24.0° |
| H15 | C15 | C14 | C13 | 171.3° | 96.0° |
| H15 | C15 | C14 | H14 | 72.1° | 144.0° |
| C51 | C14 | C13 | H14 | 120.8° | 119.9° |
| C14 | C51 | C52 | H511 | 125.3° | 120.0° |
| C14 | C51 | C52 | H512 | 125.3° | 120.0° |
| C14 | C51 | H511 | H512 | 116.9° | 119.9° |
| C14 | C51 | C52 | C53 | 174.5° | 174.7° |
| C14 | C51 | C52 | H521 | 60.3° | 54.7° |
| C14 | C51 | C52 | H522 | 49.2° | 65.4° |
| C51 | C14 | C13 | O70 | 105.6° | 164.8° |
| C51 | C14 | C13 | N12 | 75.3° | 15.2° |
| C13 | C14 | C51 | C52 | 57.7° | 175.2° |
| C13 | C14 | C51 | H511 | 67.6° | 64.8° |
| C13 | C14 | C51 | H512 | 177.0° | 55.2° |
| C14 | C13 | O70 | N12 | 179.1° | 180.0° |
| C14 | C13 | N12 | C11 | 175.4° | 179.6° |
| C14 | C13 | N12 | H12 | 4.6° | 0.6° |
| H14 | C14 | C51 | C52 | 59.1° | 55.2° |
| H14 | C14 | C51 | H511 | 175.6° | 175.3° |
| H14 | C14 | C51 | H512 | 66.2° | 64.8° |
| H14 | C14 | C13 | O70 | 15.2° | 75.2° |
| H14 | C14 | C13 | N12 | 163.9° | 104.8° |
| C52 | C51 | H511 | H512 | 117.0° | 120.1° |
| C51 | C52 | C53 | H521 | 125.3° | 120.1° |
| C51 | C52 | C53 | H522 | 125.3° | 120.0° |
| C51 | C52 | H521 | H522 | 117.7° | 120.0° |
| C51 | C52 | C53 | C54 | 142.6° | 180.0° |
| C51 | C52 | C53 | O71 | 36.2° | 0.0° |
| H511 | C51 | C52 | C53 | 49.2° | 65.3° |
| H511 | C51 | C52 | H521 | 174.4° | 174.7° |
| H511 | C51 | C52 | H522 | 76.1° | 54.6° |
| H512 | C51 | C52 | C53 | 60.3° | 54.7° |
| H512 | C51 | C52 | H521 | 65.0° | 65.3° |
| H512 | C51 | C52 | H522 | 174.5° | 174.7° |
| C53 | C52 | H521 | H522 | 117.7° | 119.9° |
| C52 | C53 | C54 | O71 | 178.9° | 180.0° |
| C52 | C53 | C54 | H541 | 54.7° | 0.0° |
| C52 | C53 | C54 | H542 | 180.0° | 120.0° |
| C52 | C53 | C54 | H543 | 54.7° | 120.0° |
| H521 | C52 | C53 | C54 | 92.1° | 60.0° |
| H521 | C52 | C53 | O71 | 89.1° | 120.0° |
| H522 | C52 | C53 | C54 | 17.4° | 60.0° |
| H522 | C52 | C53 | O71 | 161.4° | 120.0° |
| C53 | C54 | H541 | H542 | 133.1° | 120.0° |
| C53 | C54 | H541 | H543 | 113.4° | 120.0° |
| C53 | C54 | H542 | H543 | 125.3° | 120.0° |
| O71 | C53 | C54 | H541 | 126.4° | 180.0° |
| O71 | C53 | C54 | H542 | 1.1° | 60.0° |
| O71 | C53 | C54 | H543 | 124.2° | 60.0° |
| H541 | C54 | H542 | H543 | 109.5° | 120.0° |
| O70 | C13 | N12 | C11 | 3.7° | 0.4° |
| O70 | C13 | N12 | H12 | 176.3° | 179.4° |
| C13 | N12 | C11 | H12 | 180.0° | 179.9° |
| C13 | N12 | C11 | C55 | 134.4° | 136.9° |
| C13 | N12 | C11 | C10 | 106.5° | 103.2° |
| C13 | N12 | C11 | H11 | 16.0° | 16.6° |
| N12 | C11 | C55 | C10 | 113.3° | 119.2° |
| N12 | C11 | C55 | H11 | 123.7° | 120.3° |
| N12 | C11 | C10 | H11 | 123.2° | 119.8° |
| N12 | C11 | C55 | C56 | 60.1° | 180.0° |
| N12 | C11 | C55 | C57 | 178.8° | 60.0° |
| N12 | C11 | C55 | H55 | 59.8° | 59.9° |
| N12 | C11 | C10 | O69 | 65.3° | 15.6° |
| N12 | C11 | C10 | N9 | 113.2° | 164.3° |
| H12 | N12 | C11 | C55 | 45.6° | 43.0° |
| H12 | N12 | C11 | C10 | 73.5° | 76.9° |
| H12 | N12 | C11 | H11 | 164.0° | 163.3° |
| C55 | C11 | C10 | H11 | 118.5° | 120.4° |
| C11 | C55 | C56 | C57 | 121.2° | 120.0° |
| C11 | C55 | C56 | H55 | 119.7° | 120.1° |
| C11 | C55 | C57 | H55 | 119.7° | 120.0° |
| C11 | C55 | C56 | H561 | 54.7° | 60.0° |
| C11 | C55 | C56 | H562 | 180.0° | 180.0° |
| C11 | C55 | C56 | H563 | 54.7° | 60.0° |
| C11 | C55 | C57 | H571 | 54.7° | 60.0° |
| C11 | C55 | C57 | H572 | 180.0° | 180.0° |
| C11 | C55 | C57 | H573 | 54.7° | 59.9° |
| C55 | C11 | C10 | O69 | 53.0° | 104.2° |
| C55 | C11 | C10 | N9 | 128.5° | 75.9° |
| C10 | C11 | C55 | C56 | 173.4° | 60.8° |
| C10 | C11 | C55 | C57 | 65.5° | 179.2° |
| C10 | C11 | C55 | H55 | 53.6° | 59.3° |
| C11 | C10 | O69 | N9 | 178.3° | 179.9° |
| C11 | C10 | N9 | C8 | 168.7° | 179.2° |
| C11 | C10 | N9 | HN9 | 11.3° | 0.8° |
| H11 | C11 | C55 | C56 | 63.6° | 59.7° |
| H11 | C11 | C55 | C57 | 57.6° | 60.3° |
| H11 | C11 | C55 | H55 | 176.6° | 179.7° |
| H11 | C11 | C10 | O69 | 171.5° | 135.4° |
| H11 | C11 | C10 | N9 | 10.0° | 44.5° |
| C56 | C55 | C57 | H55 | 119.8° | 120.0° |
| C55 | C56 | H561 | H562 | 123.4° | 120.0° |
| C55 | C56 | H561 | H563 | 118.3° | 120.0° |
| C55 | C56 | H562 | H563 | 125.2° | 120.0° |
| C56 | C55 | C57 | H571 | 65.7° | 180.0° |
| C56 | C55 | C57 | H572 | 59.5° | 60.0° |
| C56 | C55 | C57 | H573 | 175.2° | 60.1° |
| C57 | C55 | C56 | H561 | 176.0° | 60.0° |
| C57 | C55 | C56 | H562 | 58.7° | 60.0° |
| C57 | C55 | C56 | H563 | 66.5° | 180.0° |
| C55 | C57 | H571 | H572 | 124.4° | 120.0° |
| C55 | C57 | H571 | H573 | 117.8° | 119.9° |
| C55 | C57 | H572 | H573 | 125.3° | 120.0° |
| H55 | C55 | C56 | H561 | 65.0° | 180.0° |
| H55 | C55 | C56 | H562 | 60.3° | 60.0° |
| H55 | C55 | C56 | H563 | 174.4° | 60.0° |
| H55 | C55 | C57 | H571 | 174.4° | 60.0° |
| H55 | C55 | C57 | H572 | 60.3° | 60.0° |
| H55 | C55 | C57 | H573 | 65.0° | 179.9° |
| H561 | C56 | H562 | H563 | 109.5° | 120.1° |
| H571 | C57 | H572 | H573 | 109.4° | 120.0° |
| O69 | C10 | N9 | C8 | 9.8° | 0.7° |
| O69 | C10 | N9 | HN9 | 170.2° | 179.3° |
| C10 | N9 | C8 | HN9 | 180.0° | 180.0° |
| C10 | N9 | C8 | C58 | 141.4° | 16.4° |
| C10 | N9 | C8 | C7 | 98.9° | 103.5° |
| C10 | N9 | C8 | H8 | 19.5° | 136.7° |
| N9 | C8 | C58 | C7 | 118.7° | 119.2° |
| N9 | C8 | C58 | H8 | 122.9° | 120.3° |
| N9 | C8 | C7 | H8 | 123.2° | 119.8° |
| N9 | C8 | C58 | C59 | 174.1° | 59.2° |
| N9 | C8 | C58 | H581 | 48.9° | 60.7° |
| N9 | C8 | C58 | H582 | 60.6° | 179.2° |
| N9 | C8 | C7 | O67 | 44.5° | 3.4° |
| N9 | C8 | C7 | N6 | 134.0° | 176.6° |
| HN9 | N9 | C8 | C58 | 38.6° | 163.6° |
| HN9 | N9 | C8 | C7 | 81.1° | 76.5° |
| HN9 | N9 | C8 | H8 | 160.5° | 43.3° |
| C58 | C8 | C7 | H8 | 122.3° | 120.4° |
| C8 | C58 | C59 | H581 | 125.3° | 120.0° |
| C8 | C58 | C59 | H582 | 125.3° | 120.0° |
| C8 | C58 | H581 | H582 | 116.1° | 120.0° |
| C8 | C58 | C59 | C60 | 94.8° | 45.9° |
| C8 | C58 | C59 | C64 | 86.3° | 134.4° |
| C58 | C8 | C7 | O67 | 70.0° | 123.2° |
| C58 | C8 | C7 | N6 | 111.5° | 56.8° |
| C7 | C8 | C58 | C59 | 55.5° | 178.4° |
| C7 | C8 | C58 | H581 | 69.8° | 58.4° |
| C7 | C8 | C58 | H582 | 179.3° | 61.6° |
| C8 | C7 | O67 | N6 | 178.4° | 180.0° |
| C8 | C7 | N6 | N65 | 6.5° | 174.2° |
| C8 | C7 | N6 | C5 | 176.4° | 4.3° |
| H8 | C8 | C58 | C59 | 63.0° | 61.1° |
| H8 | C8 | C58 | H581 | 171.8° | 178.9° |
| H8 | C8 | C58 | H582 | 62.3° | 58.9° |
| H8 | C8 | C7 | O67 | 167.7° | 116.3° |
| H8 | C8 | C7 | N6 | 10.8° | 63.7° |
| C59 | C58 | H581 | H582 | 116.1° | 120.0° |
| C58 | C59 | C60 | C64 | 178.9° | 179.7° |
| C58 | C59 | C60 | C61 | 179.9° | 179.8° |
| C58 | C59 | C60 | H60 | 0.2° | 0.2° |
| C58 | C59 | C64 | C63 | 179.5° | 180.0° |
| C58 | C59 | C64 | H64 | 0.5° | 0.0° |
| H581 | C58 | C59 | C60 | 30.4° | 165.9° |
| H581 | C58 | C59 | C64 | 148.4° | 14.4° |
| H582 | C58 | C59 | C60 | 139.9° | 74.1° |
| H582 | C58 | C59 | C64 | 39.0° | 105.6° |
| C59 | C60 | C61 | H60 | 180.0° | 179.6° |
| C59 | C60 | C61 | O68 | 179.8° | 179.7° |
| C59 | C60 | C61 | C62 | 0.6° | 0.5° |
| C60 | C59 | C64 | C63 | 0.5° | 0.3° |
| C60 | C59 | C64 | H64 | 179.5° | 179.7° |
| C64 | C59 | C60 | C61 | 0.9° | 0.5° |
| C64 | C59 | C60 | H60 | 179.1° | 179.9° |
| C59 | C64 | C63 | C62 | 0.2° | 0.0° |
| C59 | C64 | C63 | H64 | 180.0° | 180.0° |
| C59 | C64 | C63 | H63 | 179.8° | 180.0° |
| C60 | C61 | O68 | C62 | 179.6° | 179.8° |
| C60 | C61 | O68 | H68 | 180.0° | 89.8° |
| C60 | C61 | C62 | C63 | 0.1° | 0.2° |
| C60 | C61 | C62 | H62 | 179.9° | 179.8° |
| H60 | C60 | C61 | O68 | 0.2° | 0.2° |
| H60 | C60 | C61 | C62 | 179.4° | 180.0° |
| O68 | C61 | C62 | C63 | 179.5° | 180.0° |
| O68 | C61 | C62 | H62 | 0.5° | 0.0° |
| C62 | C61 | O68 | H68 | 0.3° | 90.0° |
| C61 | C62 | C63 | H62 | 180.0° | 179.9° |
| C61 | C62 | C63 | C64 | 0.5° | 0.1° |
| C61 | C62 | C63 | H63 | 179.5° | 180.0° |
| C62 | C63 | C64 | H63 | 180.0° | 180.0° |
| C62 | C63 | C64 | H64 | 179.8° | 180.0° |
| H62 | C62 | C63 | C64 | 179.5° | 180.0° |
| H62 | C62 | C63 | H63 | 0.5° | 0.0° |
| H63 | C63 | C64 | H64 | 0.2° | 0.0° |
| O67 | C7 | N6 | N65 | 175.1° | 5.8° |
| O67 | C7 | N6 | C5 | 5.1° | 175.7° |
| C7 | N6 | N65 | C5 | 170.5° | 178.5° |
| C7 | N6 | N65 | C2 | 111.3° | 122.6° |
| C7 | N6 | N65 | H65 | 13.9° | 8.2° |
| C7 | N6 | C5 | C4 | 116.2° | 124.4° |
| C7 | N6 | C5 | H51 | 118.5° | 116.1° |
| C7 | N6 | C5 | H52 | 9.0° | 4.8° |
| N6 | N65 | C2 | H65 | 125.2° | 114.4° |
| N65 | N6 | C5 | C4 | 54.4° | 57.1° |
| N65 | N6 | C5 | H51 | 70.8° | 62.5° |
| N65 | N6 | C5 | H52 | 179.7° | 176.7° |
| N6 | N65 | C2 | C3 | 53.6° | 58.0° |
| N6 | N65 | C2 | C1 | 175.2° | 63.7° |
| N6 | N65 | C2 | H2 | 66.3° | 177.1° |
| C5 | N6 | N65 | C2 | 59.2° | 58.9° |
| C5 | N6 | N65 | H65 | 175.6° | 173.3° |
| N6 | C5 | C4 | H51 | 125.3° | 119.5° |
| N6 | C5 | C4 | H52 | 125.3° | 119.6° |
| N6 | C5 | H51 | H52 | 118.1° | 120.8° |
| N6 | C5 | C4 | C3 | 48.3° | 52.2° |
| N6 | C5 | C4 | H41 | 173.6° | 171.6° |
| N6 | C5 | C4 | H42A | 77.0° | 67.2° |
| N65 | C2 | C3 | C4 | 47.9° | 61.4° |
| N65 | C2 | C3 | C1 | 122.8° | 122.4° |
| N65 | C2 | C3 | H2 | 118.6° | 119.3° |
| N65 | C2 | C3 | H31A | 77.4° | 58.5° |
| N65 | C2 | C3 | H32 | 173.1° | 178.7° |
| N65 | C2 | C1 | H2 | 118.5° | 119.5° |
| N65 | C2 | C1 | O66 | 33.5° | 36.8° |
| H65 | N65 | C2 | C3 | 178.8° | 172.4° |
| H65 | N65 | C2 | C1 | 59.6° | 50.7° |
| H65 | N65 | C2 | H2 | 58.9° | 68.5° |
| C4 | C5 | H51 | H52 | 118.1° | 120.8° |
| C5 | C4 | C3 | H41 | 125.3° | 119.5° |
| C5 | C4 | C3 | H42A | 125.3° | 119.4° |
| C5 | C4 | H41 | H42A | 116.9° | 121.1° |
| C5 | C4 | C3 | C2 | 47.6° | 57.6° |
| C5 | C4 | C3 | H31A | 77.7° | 62.2° |
| C5 | C4 | C3 | H32 | 172.8° | 177.6° |
| H51 | C5 | C4 | C3 | 76.9° | 67.3° |
| H51 | C5 | C4 | H41 | 48.3° | 52.1° |
| H51 | C5 | C4 | H42A | 157.8° | 173.3° |
| H52 | C5 | C4 | C3 | 173.6° | 171.8° |
| H52 | C5 | C4 | H41 | 61.2° | 68.8° |
| H52 | C5 | C4 | H42A | 48.3° | 52.4° |
| C3 | C4 | H41 | H42A | 116.9° | 121.0° |
| C4 | C3 | C2 | H31A | 125.3° | 119.9° |
| C4 | C3 | C2 | H32 | 125.2° | 120.0° |
| C4 | C3 | H31A | H32 | 116.9° | 120.2° |
| C4 | C3 | C2 | C1 | 170.7° | 61.0° |
| C4 | C3 | C2 | H2 | 70.7° | 179.3° |
| H41 | C4 | C3 | C2 | 172.8° | 177.1° |
| H41 | C4 | C3 | H31A | 47.5° | 57.2° |
| H41 | C4 | C3 | H32 | 61.9° | 62.9° |
| H42A | C4 | C3 | C2 | 77.7° | 61.8° |
| H42A | C4 | C3 | H31A | 157.0° | 178.3° |
| H42A | C4 | C3 | H32 | 47.5° | 58.2° |
| C2 | C3 | H31A | H32 | 116.9° | 120.1° |
| C3 | C2 | C1 | H2 | 119.9° | 118.4° |
| C3 | C2 | C1 | O66 | 88.1° | 85.3° |
| H31A | C3 | C2 | C1 | 45.4° | 179.1° |
| H31A | C3 | C2 | H2 | 164.0° | 60.8° |
| H32 | C3 | C2 | C1 | 64.1° | 58.9° |
| H32 | C3 | C2 | H2 | 54.5° | 59.3° |
| H2 | C2 | C1 | O66 | 152.0° | 156.3° |
