989
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C21 | sing | 1.35Å | 1.35Å | |
| O22 | H22 | sing | 0.97Å | 0.95Å | |
| C21 | O23 | doub | 1.21Å | 1.20Å | |
| C21 | C18 | sing | 1.49Å | 1.56Å | |
| C18 | O20 | doub | 1.21Å | 1.23Å | |
| C18 | N17 | sing | 1.35Å | 1.42Å | |
| N17 | C19 | sing | 1.39Å | 1.46Å | |
| N17 | C10 | sing | 1.40Å | 1.42Å | |
| C19 | C28 | doub | 1.39Å | 1.44Å | Aromatic |
| C19 | C24 | sing | 1.40Å | 1.47Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C25 | C24 | doub | 1.40Å | 1.43Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C24 | C33 | sing | 1.47Å | 1.49Å | |
| C33 | O34 | doub | 1.21Å | 1.19Å | |
| C33 | O35 | sing | 1.35Å | 1.35Å | |
| O35 | H35 | sing | 0.97Å | 0.95Å | |
| C10 | C9 | doub | 1.38Å | 1.44Å | Aromatic |
| C10 | C4 | sing | 1.41Å | 1.46Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C8 | C7 | doub | 1.36Å | 1.42Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C7 | C3 | sing | 1.41Å | 1.47Å | Aromatic |
| C7 | C36 | sing | 1.51Å | 1.53Å | |
| C3 | C4 | doub | 1.42Å | 1.46Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.45Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.44Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C1 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C1 | C2 | doub | 1.36Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C36 | C37 | sing | 1.53Å | 1.56Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C37 | N41 | sing | 1.46Å | 1.47Å | |
| C37 | C40 | sing | 1.51Å | 1.55Å | |
| C37 | H37 | sing | 1.09Å | 1.12Å | |
| N41 | C61 | sing | 1.35Å | 1.35Å | |
| N41 | H41 | sing | 0.97Å | 1.02Å | |
| C61 | O66 | doub | 1.21Å | 1.23Å | |
| C61 | C62 | sing | 1.51Å | 1.52Å | |
| C62 | H621 | sing | 1.09Å | 1.12Å | |
| C62 | H622 | sing | 1.09Å | 1.12Å | |
| C62 | H623 | sing | 1.09Å | 1.11Å | |
| C40 | O43 | doub | 1.21Å | 1.23Å | |
| C40 | N44 | sing | 1.35Å | 1.36Å | |
| N44 | C45 | sing | 1.46Å | 1.46Å | |
| N44 | H44 | sing | 0.97Å | 1.02Å | |
| C45 | C46 | sing | 1.53Å | 1.54Å | |
| C45 | H451 | sing | 1.09Å | 1.12Å | |
| C45 | H452 | sing | 1.09Å | 1.12Å | |
| C46 | C49 | sing | 1.53Å | 1.54Å | |
| C46 | H461 | sing | 1.09Å | 1.11Å | |
| C46 | H462 | sing | 1.09Å | 1.12Å | |
| C49 | C52 | sing | 1.53Å | 1.54Å | |
| C49 | H491 | sing | 1.09Å | 1.11Å | |
| C49 | H492 | sing | 1.09Å | 1.11Å | |
| C52 | C55 | sing | 1.53Å | 1.53Å | |
| C52 | H521 | sing | 1.09Å | 1.12Å | |
| C52 | H522 | sing | 1.09Å | 1.12Å | |
| C55 | H551 | sing | 1.09Å | 1.12Å | |
| C55 | H552 | sing | 1.09Å | 1.11Å | |
| C55 | H553 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | O22 | H22 | 121.8° | 120.0° |
| O22 | C21 | O23 | 121.9° | 120.0° |
| O22 | C21 | C18 | 117.4° | 120.0° |
| O23 | C21 | C18 | 120.8° | 120.0° |
| C21 | C18 | O20 | 115.6° | 120.0° |
| C21 | C18 | N17 | 121.9° | 120.0° |
| O20 | C18 | N17 | 122.4° | 120.0° |
| C18 | N17 | C19 | 121.9° | 120.0° |
| C18 | N17 | C10 | 119.3° | 120.0° |
| C19 | N17 | C10 | 118.8° | 120.0° |
| N17 | C19 | C28 | 116.7° | 120.2° |
| N17 | C19 | C24 | 127.1° | 120.2° |
| N17 | C10 | C9 | 117.1° | 120.3° |
| N17 | C10 | C4 | 124.7° | 120.3° |
| C28 | C19 | C24 | 116.2° | 119.6° |
| C19 | C28 | C27 | 122.7° | 120.1° |
| C19 | C28 | H28 | 120.0° | 119.9° |
| C19 | C24 | C25 | 118.9° | 119.6° |
| C19 | C24 | C33 | 126.1° | 120.2° |
| C27 | C28 | H28 | 117.2° | 120.0° |
| C28 | C27 | C26 | 120.2° | 120.4° |
| C28 | C27 | H27 | 120.2° | 119.8° |
| C26 | C27 | H27 | 119.6° | 119.8° |
| C27 | C26 | C25 | 119.6° | 120.4° |
| C27 | C26 | H26 | 120.0° | 119.8° |
| C25 | C26 | H26 | 120.4° | 119.8° |
| C26 | C25 | C24 | 122.3° | 119.9° |
| C26 | C25 | H25 | 117.8° | 120.0° |
| C24 | C25 | H25 | 119.8° | 120.1° |
| C25 | C24 | C33 | 115.0° | 120.2° |
| C24 | C33 | O34 | 123.3° | 119.9° |
| C24 | C33 | O35 | 115.9° | 120.0° |
| O34 | C33 | O35 | 120.8° | 120.0° |
| C33 | O35 | H35 | 115.9° | 120.0° |
| C9 | C10 | C4 | 118.2° | 119.3° |
| C10 | C9 | C8 | 122.0° | 120.8° |
| C10 | C9 | H9 | 120.5° | 119.6° |
| C10 | C4 | C3 | 119.9° | 119.3° |
| C10 | C4 | C5 | 120.9° | 121.2° |
| C8 | C9 | H9 | 117.6° | 119.6° |
| C9 | C8 | C7 | 121.5° | 121.1° |
| C9 | C8 | H8 | 118.4° | 119.4° |
| C7 | C8 | H8 | 120.1° | 119.5° |
| C8 | C7 | C3 | 118.9° | 120.0° |
| C8 | C7 | C36 | 117.6° | 120.0° |
| C3 | C7 | C36 | 123.5° | 120.0° |
| C7 | C3 | C4 | 119.6° | 119.5° |
| C7 | C3 | C2 | 122.2° | 121.1° |
| C7 | C36 | C37 | 111.9° | 109.5° |
| C7 | C36 | H361 | 111.3° | 109.5° |
| C7 | C36 | H362 | 111.3° | 109.6° |
| C4 | C3 | C2 | 118.3° | 119.3° |
| C3 | C4 | C5 | 119.2° | 119.4° |
| C3 | C2 | C1 | 121.2° | 119.6° |
| C3 | C2 | H2 | 120.4° | 120.2° |
| C4 | C5 | C6 | 120.8° | 119.7° |
| C4 | C5 | H5 | 120.3° | 120.1° |
| C6 | C5 | H5 | 118.9° | 120.2° |
| C5 | C6 | C1 | 120.3° | 121.0° |
| C5 | C6 | H6 | 119.8° | 119.6° |
| C1 | C6 | H6 | 119.9° | 119.5° |
| C6 | C1 | C2 | 120.1° | 121.0° |
| C6 | C1 | H1 | 120.1° | 119.5° |
| C2 | C1 | H1 | 119.8° | 119.5° |
| C1 | C2 | H2 | 118.3° | 120.2° |
| C37 | C36 | H361 | 111.3° | 109.5° |
| C37 | C36 | H362 | 111.3° | 109.5° |
| C36 | C37 | N41 | 108.4° | 109.5° |
| C36 | C37 | C40 | 113.9° | 109.5° |
| C36 | C37 | H37 | 107.8° | 109.4° |
| H361 | C36 | H362 | 99.1° | 109.4° |
| N41 | C37 | C40 | 111.2° | 109.5° |
| N41 | C37 | H37 | 110.7° | 109.5° |
| C37 | N41 | C61 | 121.1° | 120.0° |
| C37 | N41 | H41 | 123.7° | 120.0° |
| C40 | C37 | H37 | 104.8° | 109.5° |
| C37 | C40 | O43 | 118.1° | 120.0° |
| C37 | C40 | N44 | 119.7° | 120.0° |
| C61 | N41 | H41 | 115.2° | 120.0° |
| N41 | C61 | O66 | 125.2° | 120.0° |
| N41 | C61 | C62 | 113.7° | 120.0° |
| O66 | C61 | C62 | 121.1° | 120.0° |
| C61 | C62 | H621 | 113.7° | 109.5° |
| C61 | C62 | H622 | 110.7° | 109.4° |
| C61 | C62 | H623 | 110.7° | 109.5° |
| H621 | C62 | H622 | 110.6° | 109.5° |
| H621 | C62 | H623 | 110.7° | 109.5° |
| H622 | C62 | H623 | 99.7° | 109.5° |
| O43 | C40 | N44 | 122.2° | 120.0° |
| C40 | N44 | C45 | 126.1° | 120.0° |
| C40 | N44 | H44 | 112.8° | 119.9° |
| C45 | N44 | H44 | 121.1° | 120.1° |
| N44 | C45 | C46 | 112.5° | 109.4° |
| N44 | C45 | H451 | 111.1° | 109.5° |
| N44 | C45 | H452 | 111.1° | 109.5° |
| C46 | C45 | H451 | 111.1° | 109.5° |
| C46 | C45 | H452 | 111.1° | 109.5° |
| C45 | C46 | C49 | 112.5° | 109.5° |
| C45 | C46 | H461 | 111.1° | 109.4° |
| C45 | C46 | H462 | 111.1° | 109.5° |
| H451 | C45 | H452 | 99.2° | 109.5° |
| C49 | C46 | H461 | 111.2° | 109.5° |
| C49 | C46 | H462 | 111.1° | 109.5° |
| C46 | C49 | C52 | 112.1° | 109.5° |
| C46 | C49 | H491 | 111.2° | 109.5° |
| C46 | C49 | H492 | 111.2° | 109.5° |
| H461 | C46 | H462 | 99.2° | 109.5° |
| C52 | C49 | H491 | 111.2° | 109.4° |
| C52 | C49 | H492 | 111.2° | 109.5° |
| C49 | C52 | C55 | 112.9° | 109.5° |
| C49 | C52 | H521 | 110.9° | 109.4° |
| C49 | C52 | H522 | 110.9° | 109.5° |
| H491 | C49 | H492 | 99.1° | 109.5° |
| C55 | C52 | H521 | 111.0° | 109.5° |
| C55 | C52 | H522 | 111.0° | 109.5° |
| C52 | C55 | H551 | 112.9° | 109.5° |
| C52 | C55 | H552 | 110.9° | 109.5° |
| C52 | C55 | H553 | 110.9° | 109.5° |
| H521 | C52 | H522 | 99.3° | 109.5° |
| H551 | C55 | H552 | 111.0° | 109.4° |
| H551 | C55 | H553 | 111.0° | 109.5° |
| H552 | C55 | H553 | 99.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C21 | O23 | C18 | 178.6° | 180.0° |
| O22 | C21 | C18 | O20 | 102.7° | 0.0° |
| O22 | C21 | C18 | N17 | 77.1° | 180.0° |
| H22 | O22 | C21 | O23 | 180.0° | 0.0° |
| H22 | O22 | C21 | C18 | 1.3° | 180.0° |
| O23 | C21 | C18 | O20 | 78.6° | 180.0° |
| O23 | C21 | C18 | N17 | 101.6° | 0.0° |
| C21 | C18 | O20 | N17 | 179.8° | 180.0° |
| C21 | C18 | N17 | C19 | 179.4° | 180.0° |
| C21 | C18 | N17 | C10 | 3.1° | 0.0° |
| O20 | C18 | N17 | C19 | 0.4° | 0.0° |
| O20 | C18 | N17 | C10 | 177.1° | 180.0° |
| C18 | N17 | C19 | C10 | 177.5° | 180.0° |
| C18 | N17 | C19 | C28 | 127.4° | 97.9° |
| C18 | N17 | C19 | C24 | 53.0° | 82.3° |
| C18 | N17 | C10 | C9 | 75.1° | 95.9° |
| C18 | N17 | C10 | C4 | 105.0° | 84.1° |
| N17 | C19 | C28 | C24 | 179.6° | 179.8° |
| N17 | C19 | C28 | C27 | 179.7° | 179.9° |
| N17 | C19 | C28 | H28 | 0.3° | 0.0° |
| N17 | C19 | C24 | C25 | 179.6° | 179.7° |
| N17 | C19 | C24 | C33 | 0.4° | 0.3° |
| C19 | N17 | C10 | C9 | 102.5° | 84.1° |
| C19 | N17 | C10 | C4 | 77.4° | 95.9° |
| C10 | N17 | C19 | C28 | 50.1° | 82.1° |
| C10 | N17 | C19 | C24 | 129.5° | 97.7° |
| N17 | C10 | C9 | C4 | 179.9° | 179.9° |
| N17 | C10 | C9 | C8 | 179.7° | 179.9° |
| N17 | C10 | C9 | H9 | 0.2° | 0.0° |
| N17 | C10 | C4 | C3 | 179.7° | 179.8° |
| N17 | C10 | C4 | C5 | 0.1° | 0.0° |
| C19 | C28 | C27 | H28 | 180.0° | 179.9° |
| C19 | C28 | C27 | C26 | 0.1° | 0.1° |
| C19 | C28 | C27 | H27 | 179.9° | 180.0° |
| C28 | C19 | C24 | C25 | 0.0° | 0.5° |
| C28 | C19 | C24 | C33 | 180.0° | 180.0° |
| C24 | C19 | C28 | C27 | 0.0° | 0.2° |
| C24 | C19 | C28 | H28 | 180.0° | 179.7° |
| C19 | C24 | C25 | C26 | 0.1° | 0.6° |
| C19 | C24 | C25 | C33 | 180.0° | 179.4° |
| C19 | C24 | C25 | H25 | 180.0° | 179.7° |
| C19 | C24 | C33 | O34 | 40.8° | 5.5° |
| C19 | C24 | C33 | O35 | 138.7° | 174.4° |
| C28 | C27 | C26 | H27 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.1° | 0.1° |
| C28 | C27 | C26 | H26 | 179.9° | 180.0° |
| H28 | C28 | C27 | C26 | 179.9° | 180.0° |
| H28 | C28 | C27 | H27 | 0.1° | 0.1° |
| C27 | C26 | C25 | H26 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.1° | 0.3° |
| C27 | C26 | C25 | H25 | 179.9° | 180.0° |
| H27 | C27 | C26 | C25 | 179.9° | 180.0° |
| H27 | C27 | C26 | H26 | 0.1° | 0.1° |
| C26 | C25 | C24 | H25 | 180.0° | 179.8° |
| C26 | C25 | C24 | C33 | 180.0° | 180.0° |
| H26 | C26 | C25 | C24 | 179.9° | 179.7° |
| H26 | C26 | C25 | H25 | 0.1° | 0.1° |
| C25 | C24 | C33 | O34 | 139.2° | 173.9° |
| C25 | C24 | C33 | O35 | 41.2° | 6.1° |
| H25 | C25 | C24 | C33 | 0.0° | 0.2° |
| C24 | C33 | O34 | O35 | 179.6° | 180.0° |
| C24 | C33 | O35 | H35 | 180.0° | 180.0° |
| O34 | C33 | O35 | H35 | 0.5° | 0.0° |
| C10 | C9 | C8 | H9 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.1° | 0.1° |
| C10 | C9 | C8 | H8 | 180.0° | 180.0° |
| C9 | C10 | C4 | C3 | 0.2° | 0.2° |
| C9 | C10 | C4 | C5 | 180.0° | 180.0° |
| C4 | C10 | C9 | C8 | 0.1° | 0.0° |
| C4 | C10 | C9 | H9 | 179.9° | 179.9° |
| C10 | C4 | C3 | C7 | 0.1° | 0.4° |
| C10 | C4 | C3 | C5 | 179.8° | 179.8° |
| C10 | C4 | C3 | C2 | 179.8° | 179.8° |
| C10 | C4 | C5 | C6 | 179.9° | 180.0° |
| C10 | C4 | C5 | H5 | 0.0° | 0.0° |
| C9 | C8 | C7 | H8 | 180.0° | 179.9° |
| C9 | C8 | C7 | C3 | 0.2° | 0.3° |
| C9 | C8 | C7 | C36 | 179.5° | 180.0° |
| H9 | C9 | C8 | C7 | 179.9° | 180.0° |
| H9 | C9 | C8 | H8 | 0.1° | 0.0° |
| C8 | C7 | C3 | C36 | 179.6° | 179.7° |
| C8 | C7 | C3 | C4 | 0.1° | 0.5° |
| C8 | C7 | C3 | C2 | 180.0° | 179.8° |
| C8 | C7 | C36 | C37 | 100.8° | 90.0° |
| C8 | C7 | C36 | H361 | 24.4° | 30.0° |
| C8 | C7 | C36 | H362 | 134.0° | 149.9° |
| H8 | C8 | C7 | C3 | 179.9° | 179.7° |
| H8 | C8 | C7 | C36 | 0.5° | 0.1° |
| C7 | C3 | C4 | C2 | 179.9° | 179.3° |
| C7 | C3 | C4 | C5 | 179.9° | 179.8° |
| C7 | C3 | C2 | C1 | 180.0° | 179.7° |
| C7 | C3 | C2 | H2 | 0.1° | 0.4° |
| C3 | C7 | C36 | C37 | 78.9° | 90.3° |
| C3 | C7 | C36 | H361 | 155.9° | 149.7° |
| C3 | C7 | C36 | H362 | 46.4° | 29.7° |
| C36 | C7 | C3 | C4 | 179.5° | 179.8° |
| C36 | C7 | C3 | C2 | 0.4° | 0.5° |
| C7 | C36 | C37 | H361 | 125.2° | 120.0° |
| C7 | C36 | C37 | H362 | 125.3° | 120.1° |
| C7 | C36 | H361 | H362 | 117.2° | 120.1° |
| C7 | C36 | C37 | N41 | 179.3° | 59.9° |
| C7 | C36 | C37 | C40 | 56.4° | 180.0° |
| C7 | C36 | C37 | H37 | 59.4° | 60.1° |
| C3 | C4 | C5 | C6 | 0.1° | 0.2° |
| C3 | C4 | C5 | H5 | 179.8° | 179.8° |
| C4 | C3 | C2 | C1 | 0.1° | 0.4° |
| C4 | C3 | C2 | H2 | 179.9° | 179.7° |
| C2 | C3 | C4 | C5 | 0.1° | 0.4° |
| C3 | C2 | C1 | C6 | 0.1° | 0.2° |
| C3 | C2 | C1 | H2 | 179.9° | 179.8° |
| C3 | C2 | C1 | H1 | 179.9° | 179.8° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.0° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | H6 | 179.9° | 180.0° |
| C5 | C6 | C1 | C2 | 0.1° | 0.0° |
| C5 | C6 | C1 | H1 | 179.9° | 180.0° |
| H5 | C5 | C6 | C1 | 179.9° | 180.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| C6 | C1 | C2 | H1 | 180.0° | 180.0° |
| C6 | C1 | C2 | H2 | 179.8° | 180.0° |
| H6 | C6 | C1 | C2 | 179.9° | 180.0° |
| H6 | C6 | C1 | H1 | 0.1° | 0.0° |
| H1 | C1 | C2 | H2 | 0.2° | 0.1° |
| C37 | C36 | H361 | H362 | 117.2° | 119.9° |
| C36 | C37 | N41 | C40 | 125.9° | 120.1° |
| C36 | C37 | N41 | H37 | 118.1° | 119.9° |
| C36 | C37 | C40 | H37 | 117.6° | 119.9° |
| C36 | C37 | N41 | C61 | 113.6° | 60.1° |
| C36 | C37 | N41 | H41 | 66.4° | 120.0° |
| C36 | C37 | C40 | O43 | 85.6° | 90.0° |
| C36 | C37 | C40 | N44 | 94.1° | 89.9° |
| H361 | C36 | C37 | N41 | 55.5° | 60.1° |
| H361 | C36 | C37 | C40 | 68.8° | 60.0° |
| H361 | C36 | C37 | H37 | 175.4° | 180.0° |
| H362 | C36 | C37 | N41 | 54.0° | 180.0° |
| H362 | C36 | C37 | C40 | 178.3° | 59.9° |
| H362 | C36 | C37 | H37 | 65.9° | 60.1° |
| N41 | C37 | C40 | H37 | 119.6° | 120.0° |
| C37 | N41 | C61 | H41 | 179.9° | 179.9° |
| C37 | N41 | C61 | O66 | 0.2° | 0.1° |
| C37 | N41 | C61 | C62 | 179.7° | 180.0° |
| N41 | C37 | C40 | O43 | 151.5° | 30.0° |
| N41 | C37 | C40 | N44 | 28.7° | 150.1° |
| C40 | C37 | N41 | C61 | 120.5° | 60.0° |
| C40 | C37 | N41 | H41 | 59.5° | 119.9° |
| C37 | C40 | O43 | N44 | 179.7° | 179.9° |
| C37 | C40 | N44 | C45 | 179.7° | 180.0° |
| C37 | C40 | N44 | H44 | 0.4° | 0.1° |
| H37 | C37 | N41 | C61 | 4.4° | 180.0° |
| H37 | C37 | N41 | H41 | 175.5° | 0.1° |
| H37 | C37 | C40 | O43 | 32.0° | 150.0° |
| H37 | C37 | C40 | N44 | 148.3° | 30.0° |
| N41 | C61 | O66 | C62 | 179.9° | 179.9° |
| N41 | C61 | C62 | H621 | 179.9° | 180.0° |
| N41 | C61 | C62 | H622 | 54.8° | 59.9° |
| N41 | C61 | C62 | H623 | 54.7° | 60.1° |
| H41 | N41 | C61 | O66 | 179.7° | 180.0° |
| H41 | N41 | C61 | C62 | 0.4° | 0.1° |
| O66 | C61 | C62 | H621 | 0.1° | 0.0° |
| O66 | C61 | C62 | H622 | 125.3° | 120.0° |
| O66 | C61 | C62 | H623 | 125.2° | 120.0° |
| C61 | C62 | H621 | H622 | 125.2° | 120.0° |
| C61 | C62 | H621 | H623 | 125.3° | 120.0° |
| C61 | C62 | H622 | H623 | 116.6° | 120.0° |
| H621 | C62 | H622 | H623 | 116.5° | 120.0° |
| O43 | C40 | N44 | C45 | 0.0° | 0.0° |
| O43 | C40 | N44 | H44 | 179.9° | 180.0° |
| C40 | N44 | C45 | H44 | 179.9° | 179.9° |
| C40 | N44 | C45 | C46 | 150.1° | 179.9° |
| C40 | N44 | C45 | H451 | 84.6° | 60.0° |
| C40 | N44 | C45 | H452 | 24.8° | 60.1° |
| N44 | C45 | C46 | H451 | 125.3° | 120.0° |
| N44 | C45 | C46 | H452 | 125.3° | 120.0° |
| N44 | C45 | H451 | H452 | 117.0° | 120.0° |
| N44 | C45 | C46 | C49 | 76.6° | 180.0° |
| N44 | C45 | C46 | H461 | 48.7° | 60.0° |
| N44 | C45 | C46 | H462 | 158.1° | 60.0° |
| H44 | N44 | C45 | C46 | 29.9° | 0.0° |
| H44 | N44 | C45 | H451 | 95.3° | 119.9° |
| H44 | N44 | C45 | H452 | 155.3° | 120.0° |
| C46 | C45 | H451 | H452 | 117.0° | 120.0° |
| C45 | C46 | C49 | H461 | 125.3° | 119.9° |
| C45 | C46 | C49 | H462 | 125.3° | 120.0° |
| C45 | C46 | H461 | H462 | 116.9° | 120.0° |
| C45 | C46 | C49 | C52 | 179.6° | NaN° |
| C45 | C46 | C49 | H491 | 54.4° | 60.0° |
| C45 | C46 | C49 | H492 | 55.1° | 60.0° |
| H451 | C45 | C46 | C49 | 158.1° | 60.0° |
| H451 | C45 | C46 | H461 | 76.6° | 180.0° |
| H451 | C45 | C46 | H462 | 32.8° | 60.0° |
| H452 | C45 | C46 | C49 | 48.7° | 60.0° |
| H452 | C45 | C46 | H461 | 174.0° | 60.0° |
| H452 | C45 | C46 | H462 | 76.6° | 180.0° |
| C49 | C46 | H461 | H462 | 117.0° | 120.1° |
| C46 | C49 | C52 | H491 | 125.2° | 120.0° |
| C46 | C49 | C52 | H492 | 125.3° | 120.0° |
| C46 | C49 | H491 | H492 | 117.1° | 120.0° |
| C46 | C49 | C52 | C55 | 155.5° | NaN° |
| C46 | C49 | C52 | H521 | 30.2° | 60.0° |
| C46 | C49 | C52 | H522 | 79.2° | 60.0° |
| H461 | C46 | C49 | C52 | 55.1° | 60.1° |
| H461 | C46 | C49 | H491 | 179.7° | 180.0° |
| H461 | C46 | C49 | H492 | 70.2° | 60.0° |
| H462 | C46 | C49 | C52 | 54.4° | 60.0° |
| H462 | C46 | C49 | H491 | 70.9° | 60.0° |
| H462 | C46 | C49 | H492 | 179.7° | 180.0° |
| C52 | C49 | H491 | H492 | 117.1° | 120.0° |
| C49 | C52 | C55 | H521 | 125.3° | 119.9° |
| C49 | C52 | C55 | H522 | 125.3° | 120.0° |
| C49 | C52 | H521 | H522 | 116.8° | 120.0° |
| C49 | C52 | C55 | H551 | 180.0° | 179.9° |
| C49 | C52 | C55 | H552 | 54.7° | 60.0° |
| C49 | C52 | C55 | H553 | 54.8° | 60.0° |
| H491 | C49 | C52 | C55 | 79.2° | 60.0° |
| H491 | C49 | C52 | H521 | 155.4° | 180.0° |
| H491 | C49 | C52 | H522 | 46.1° | 60.0° |
| H492 | C49 | C52 | C55 | 30.3° | 60.0° |
| H492 | C49 | C52 | H521 | 95.1° | 60.0° |
| H492 | C49 | C52 | H522 | 155.6° | 180.0° |
| C55 | C52 | H521 | H522 | 116.8° | 120.0° |
| C52 | C55 | H551 | H552 | 125.2° | 120.0° |
| C52 | C55 | H551 | H553 | 125.2° | 120.1° |
| C52 | C55 | H552 | H553 | 116.8° | 120.1° |
| H521 | C52 | C55 | H551 | 54.7° | 60.0° |
| H521 | C52 | C55 | H552 | 180.0° | 59.9° |
| H521 | C52 | C55 | H553 | 70.5° | 180.0° |
| H522 | C52 | C55 | H551 | 54.7° | 60.0° |
| H522 | C52 | C55 | H552 | 70.5° | 180.0° |
| H522 | C52 | C55 | H553 | 180.0° | 60.0° |
| H551 | C55 | H552 | H553 | 116.9° | 120.0° |
