PRD_000605
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O32 | C14 | doub | 1.21Å | 1.22Å | |
| C14 | C5 | sing | 1.51Å | 1.54Å | |
| C14 | N1 | sing | 1.35Å | 1.28Å | |
| C5 | O21 | sing | 1.43Å | 1.40Å | |
| O21 | C44 | sing | 1.43Å | 1.39Å | |
| C44 | C49 | sing | 1.53Å | 1.52Å | |
| C44 | C45 | sing | 1.53Å | 1.47Å | |
| C49 | C48 | sing | 1.53Å | 1.51Å | |
| C48 | C47 | sing | 1.53Å | 1.48Å | |
| C47 | C46 | sing | 1.53Å | 1.50Å | |
| C46 | C45 | sing | 1.53Å | 1.49Å | |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| N1 | C4 | sing | 1.47Å | 1.50Å | |
| C1 | C2 | sing | 1.54Å | 1.53Å | |
| C1 | C7 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.55Å | 1.52Å | |
| C3 | C4 | sing | 1.55Å | 1.53Å | |
| C7 | O22 | doub | 1.21Å | 1.23Å | |
| C7 | N23 | sing | 1.35Å | 1.36Å | |
| N23 | C24 | sing | 1.46Å | 1.47Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C21 | sing | 1.48Å | 1.50Å | |
| C28 | C29 | sing | 1.39Å | 1.36Å | Aromatic |
| C21 | N46 | doub | 1.30Å | 1.32Å | |
| C21 | N47 | sing | 1.38Å | 1.32Å | |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H48A | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| N23 | HN23 | sing | 0.97Å | 1.00Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| N46 | HN46 | sing | 0.97Å | 1.00Å | |
| N47 | HN47 | sing | 0.97Å | 1.00Å | |
| N47 | HN4A | sing | 0.97Å | 1.00Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | C14 | C5 | 112.4° | 120.0° |
| O32 | C14 | N1 | 125.2° | 120.0° |
| C5 | C14 | N1 | 122.4° | 120.0° |
| C14 | C5 | O21 | 121.2° | 109.5° |
| C14 | C5 | H5 | 105.8° | 109.5° |
| C14 | C5 | H5A | 105.7° | 109.5° |
| C14 | N1 | C1 | 116.1° | 125.7° |
| C14 | N1 | C4 | 134.5° | 125.6° |
| C5 | O21 | C44 | 127.0° | 114.0° |
| O21 | C5 | H5 | 105.7° | 109.5° |
| O21 | C5 | H5A | 105.8° | 109.4° |
| O21 | C44 | C49 | 114.2° | 109.5° |
| O21 | C44 | C45 | 107.2° | 109.5° |
| O21 | C44 | H44 | 106.4° | 109.5° |
| C49 | C44 | C45 | 104.6° | 109.4° |
| C44 | C49 | C48 | 117.5° | 109.5° |
| C49 | C44 | H44 | 108.9° | 109.4° |
| C44 | C49 | H49 | 106.9° | 109.5° |
| C44 | C49 | H49A | 106.9° | 109.5° |
| C44 | C45 | C46 | 113.9° | 109.5° |
| C45 | C44 | H44 | 115.8° | 109.5° |
| C44 | C45 | H45 | 108.0° | 109.4° |
| C44 | C45 | H45A | 108.0° | 109.5° |
| C49 | C48 | C47 | 102.9° | 109.5° |
| C48 | C49 | H49 | 106.9° | 109.5° |
| C48 | C49 | H49A | 106.9° | 109.5° |
| C49 | C48 | H48 | 111.7° | 109.5° |
| C49 | C48 | H48A | 111.7° | 109.5° |
| C48 | C47 | C46 | 112.8° | 109.5° |
| C47 | C48 | H48 | 111.8° | 109.5° |
| C47 | C48 | H48A | 111.7° | 109.5° |
| C48 | C47 | H47 | 108.4° | 109.4° |
| C48 | C47 | H47A | 108.4° | 109.4° |
| C47 | C46 | C45 | 110.0° | 109.5° |
| C46 | C47 | H47 | 108.4° | 109.5° |
| C46 | C47 | H47A | 108.3° | 109.5° |
| C47 | C46 | H46 | 109.3° | 109.5° |
| C47 | C46 | H46A | 109.3° | 109.5° |
| C45 | C46 | H46 | 109.3° | 109.5° |
| C45 | C46 | H46A | 109.3° | 109.5° |
| C46 | C45 | H45 | 108.0° | 109.5° |
| C46 | C45 | H45A | 108.0° | 109.5° |
| C1 | N1 | C4 | 109.0° | 108.7° |
| N1 | C1 | C2 | 110.0° | 107.3° |
| N1 | C1 | C7 | 116.4° | 109.9° |
| N1 | C1 | H1 | 102.3° | 109.9° |
| N1 | C4 | C3 | 103.3° | 104.7° |
| N1 | C4 | H4 | 111.6° | 110.4° |
| N1 | C4 | H4A | 111.6° | 110.4° |
| C2 | C1 | C7 | 102.3° | 109.9° |
| C1 | C2 | C3 | 102.6° | 103.0° |
| C2 | C1 | H1 | 116.4° | 109.9° |
| C1 | C2 | H2 | 111.8° | 110.7° |
| C1 | C2 | H2A | 111.8° | 110.8° |
| C1 | C7 | O22 | 123.0° | 120.0° |
| C1 | C7 | N23 | 121.0° | 119.9° |
| C7 | C1 | H1 | 110.0° | 110.0° |
| C2 | C3 | C4 | 108.8° | 101.5° |
| C3 | C2 | H2 | 111.9° | 110.7° |
| C3 | C2 | H2A | 111.8° | 110.7° |
| C2 | C3 | H3 | 109.7° | 111.0° |
| C2 | C3 | H3A | 109.7° | 111.0° |
| C4 | C3 | H3 | 109.7° | 111.2° |
| C4 | C3 | H3A | 109.7° | 110.9° |
| C3 | C4 | H4 | 111.6° | 110.5° |
| C3 | C4 | H4A | 111.6° | 110.3° |
| O22 | C7 | N23 | 116.0° | 120.0° |
| C7 | N23 | C24 | 126.2° | 120.0° |
| C7 | N23 | HN23 | 116.9° | 120.0° |
| N23 | C24 | C25 | 111.9° | 109.5° |
| C24 | N23 | HN23 | 116.9° | 120.0° |
| N23 | C24 | H24 | 108.7° | 109.6° |
| N23 | C24 | H24A | 108.7° | 109.5° |
| C24 | C25 | C26 | 118.0° | 119.8° |
| C24 | C25 | C30 | 124.2° | 119.9° |
| C25 | C24 | H24 | 108.7° | 109.4° |
| C25 | C24 | H24A | 108.7° | 109.4° |
| C26 | C25 | C30 | 117.8° | 120.3° |
| C25 | C26 | C27 | 119.3° | 120.1° |
| C25 | C26 | H26 | 120.4° | 120.0° |
| C25 | C30 | C29 | 122.3° | 120.1° |
| C25 | C30 | H30 | 118.9° | 119.9° |
| C26 | C27 | C28 | 121.8° | 119.9° |
| C27 | C26 | H26 | 120.3° | 119.9° |
| C26 | C27 | H27 | 119.1° | 120.1° |
| C27 | C28 | C21 | 119.9° | 120.2° |
| C27 | C28 | C29 | 119.9° | 119.7° |
| C28 | C27 | H27 | 119.1° | 120.0° |
| C21 | C28 | C29 | 120.1° | 120.1° |
| C28 | C21 | N46 | 118.4° | 120.0° |
| C28 | C21 | N47 | 121.9° | 120.0° |
| C28 | C29 | C30 | 119.0° | 119.9° |
| C28 | C29 | H29 | 120.5° | 120.1° |
| N46 | C21 | N47 | 119.7° | 120.0° |
| C21 | N46 | HN46 | 112.0° | 120.1° |
| C21 | N47 | HN47 | 120.0° | 120.0° |
| C21 | N47 | HN4A | 120.0° | 120.0° |
| C30 | C29 | H29 | 120.5° | 120.1° |
| C29 | C30 | H30 | 118.8° | 119.9° |
| H5 | C5 | H5A | 112.9° | 109.4° |
| H49 | C49 | H49A | 111.9° | 109.4° |
| H48 | C48 | H48A | 107.1° | 109.4° |
| H47 | C47 | H47A | 110.6° | 109.5° |
| H46 | C46 | H46A | 109.7° | 109.4° |
| H45 | C45 | H45A | 110.9° | 109.4° |
| H2 | C2 | H2A | 107.0° | 110.8° |
| H3 | C3 | H3A | 109.2° | 111.0° |
| H4 | C4 | H4A | 107.2° | 110.4° |
| H24 | C24 | H24A | 110.3° | 109.4° |
| HN47 | N47 | HN4A | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | C14 | C5 | N1 | 178.8° | 179.7° |
| O32 | C14 | C5 | O21 | 99.5° | 0.1° |
| O32 | C14 | N1 | C1 | 1.7° | 0.0° |
| O32 | C14 | N1 | C4 | 174.2° | 179.7° |
| O32 | C14 | C5 | H5 | 20.5° | 120.0° |
| O32 | C14 | C5 | H5A | 140.5° | 120.0° |
| C14 | C5 | O21 | H5 | 120.0° | 120.1° |
| C14 | C5 | O21 | H5A | 120.0° | 120.0° |
| C14 | C5 | O21 | C44 | 19.0° | 180.0° |
| C5 | C14 | N1 | C1 | 179.7° | 179.7° |
| C5 | C14 | N1 | C4 | 7.1° | 0.6° |
| C14 | C5 | H5 | H5A | 115.2° | 120.0° |
| N1 | C14 | C5 | O21 | 81.8° | 179.8° |
| C14 | N1 | C1 | C4 | 174.4° | 179.7° |
| C14 | N1 | C1 | C2 | 177.9° | 179.0° |
| C14 | N1 | C1 | C7 | 62.2° | 59.6° |
| C14 | N1 | C4 | C3 | 166.8° | 155.8° |
| N1 | C14 | C5 | H5 | 158.2° | 59.6° |
| N1 | C14 | C5 | H5A | 38.3° | 60.3° |
| C14 | N1 | C1 | H1 | 57.8° | 61.6° |
| C14 | N1 | C4 | H4 | 73.2° | 85.2° |
| C14 | N1 | C4 | H4A | 46.8° | 37.1° |
| C5 | O21 | C44 | C49 | 143.6° | 150.0° |
| C5 | O21 | C44 | C45 | 101.0° | 90.1° |
| O21 | C5 | H5 | H5A | 115.2° | 119.9° |
| C5 | O21 | C44 | H44 | 23.4° | 30.0° |
| O21 | C44 | C49 | C45 | 116.8° | 120.0° |
| O21 | C44 | C49 | H44 | 118.8° | 120.0° |
| O21 | C44 | C45 | H44 | 118.6° | 120.1° |
| O21 | C44 | C49 | C48 | 175.8° | 180.0° |
| O21 | C44 | C45 | C46 | 175.1° | 180.0° |
| C44 | O21 | C5 | H5 | 101.0° | 59.9° |
| C44 | O21 | C5 | H5A | 139.0° | 60.0° |
| O21 | C44 | C49 | H49 | 55.8° | 59.9° |
| O21 | C44 | C49 | H49A | 64.2° | 60.0° |
| O21 | C44 | C45 | H45 | 64.9° | 60.0° |
| O21 | C44 | C45 | H45A | 55.1° | 59.9° |
| C49 | C44 | C45 | H44 | 119.9° | 120.0° |
| C44 | C49 | C48 | H49 | 120.0° | 120.1° |
| C44 | C49 | C48 | H49A | 120.0° | 120.0° |
| C44 | C49 | C48 | C47 | 61.1° | 60.0° |
| C49 | C44 | C45 | C46 | 53.5° | 60.0° |
| C44 | C49 | H49 | H49A | 116.7° | 120.0° |
| C44 | C49 | C48 | H48 | 178.9° | 180.0° |
| C44 | C49 | C48 | H48A | 58.9° | 60.0° |
| C49 | C44 | C45 | H45 | 173.5° | 180.0° |
| C49 | C44 | C45 | H45A | 66.4° | 60.0° |
| C45 | C44 | C49 | C48 | 59.0° | 60.0° |
| C44 | C45 | C46 | C47 | 56.8° | 60.0° |
| C44 | C45 | C46 | H45 | 120.0° | 119.9° |
| C44 | C45 | C46 | H45A | 120.0° | 120.1° |
| C45 | C44 | C49 | H49 | 61.0° | 60.0° |
| C45 | C44 | C49 | H49A | 179.0° | 180.0° |
| C44 | C45 | C46 | H46 | 176.8° | 179.9° |
| C44 | C45 | C46 | H46A | 63.2° | 60.0° |
| C44 | C45 | H45 | H45A | 118.2° | 120.0° |
| C49 | C48 | C47 | H48 | 120.0° | 120.0° |
| C49 | C48 | C47 | H48A | 120.0° | 120.0° |
| C49 | C48 | C47 | C46 | 58.4° | 60.0° |
| C48 | C49 | C44 | H44 | 65.4° | 60.0° |
| C48 | C49 | H49 | H49A | 116.7° | 120.0° |
| C49 | C48 | H48 | H48A | 122.6° | 120.0° |
| C49 | C48 | C47 | H47 | 61.6° | 60.0° |
| C49 | C48 | C47 | H47A | 178.3° | 180.0° |
| C48 | C47 | C46 | H47 | 120.0° | 119.9° |
| C48 | C47 | C46 | H47A | 120.0° | 120.0° |
| C48 | C47 | C46 | C45 | 59.6° | 60.0° |
| C47 | C48 | C49 | H49 | 58.9° | 60.0° |
| C47 | C48 | C49 | H49A | 178.9° | 180.0° |
| C47 | C48 | H48 | H48A | 122.7° | 120.0° |
| C48 | C47 | H47 | H47A | 118.7° | 119.9° |
| C48 | C47 | C46 | H46 | 179.6° | 180.0° |
| C48 | C47 | C46 | H46A | 60.4° | 60.0° |
| C47 | C46 | C45 | H46 | 120.0° | 120.0° |
| C47 | C46 | C45 | H46A | 120.0° | 120.0° |
| C46 | C47 | C48 | H48 | 178.4° | 180.0° |
| C46 | C47 | C48 | H48A | 61.6° | 60.1° |
| C46 | C47 | H47 | H47A | 118.6° | 120.1° |
| C47 | C46 | H46 | H46A | 119.8° | 119.9° |
| C47 | C46 | C45 | H45 | 176.8° | 180.0° |
| C47 | C46 | C45 | H45A | 63.2° | 60.0° |
| C46 | C45 | C44 | H44 | 66.3° | 59.9° |
| C45 | C46 | C47 | H47 | 60.4° | 60.0° |
| C45 | C46 | C47 | H47A | 179.6° | 180.0° |
| C45 | C46 | H46 | H46A | 119.8° | 120.0° |
| C46 | C45 | H45 | H45A | 118.1° | 120.0° |
| N1 | C1 | C2 | C7 | 124.3° | 119.4° |
| N1 | C1 | C2 | H1 | 115.8° | 119.4° |
| N1 | C1 | C7 | H1 | 115.8° | 121.1° |
| N1 | C1 | C2 | C3 | 8.3° | 22.2° |
| C1 | N1 | C4 | C3 | 20.3° | 24.5° |
| N1 | C1 | C7 | O22 | 26.4° | 0.0° |
| N1 | C1 | C7 | N23 | 153.0° | 180.0° |
| N1 | C1 | C2 | H2 | 128.3° | 140.6° |
| N1 | C1 | C2 | H2A | 111.7° | 96.2° |
| C1 | N1 | C4 | H4 | 99.7° | 94.5° |
| C1 | N1 | C4 | H4A | 140.3° | 143.2° |
| C4 | N1 | C1 | C2 | 7.8° | 1.3° |
| C4 | N1 | C1 | C7 | 123.4° | 120.7° |
| N1 | C4 | C3 | C2 | 25.9° | 37.3° |
| N1 | C4 | C3 | H4 | 120.0° | 118.9° |
| N1 | C4 | C3 | H4A | 120.0° | 118.8° |
| C4 | N1 | C1 | H1 | 116.6° | 118.1° |
| N1 | C4 | C3 | H3 | 94.1° | 80.8° |
| N1 | C4 | C3 | H3A | 145.9° | 155.2° |
| N1 | C4 | H4 | H4A | 122.5° | 122.3° |
| C2 | C1 | C7 | H1 | 124.4° | 121.1° |
| C1 | C2 | C3 | H2 | 120.0° | 118.4° |
| C1 | C2 | C3 | H2A | 120.0° | 118.4° |
| C1 | C2 | C3 | C4 | 21.2° | 35.7° |
| C2 | C1 | C7 | O22 | 93.4° | 117.8° |
| C2 | C1 | C7 | N23 | 87.1° | 62.2° |
| C1 | C2 | H2 | H2A | 122.8° | 123.3° |
| C1 | C2 | C3 | H3 | 98.9° | 82.6° |
| C1 | C2 | C3 | H3A | 141.2° | 153.5° |
| C7 | C1 | C2 | C3 | 116.0° | 97.2° |
| C1 | C7 | O22 | N23 | 179.4° | 180.0° |
| C1 | C7 | N23 | C24 | 178.3° | 180.0° |
| C7 | C1 | C2 | H2 | 4.0° | 21.2° |
| C7 | C1 | C2 | H2A | 124.0° | 144.5° |
| C1 | C7 | N23 | HN23 | 1.7° | 0.0° |
| C2 | C3 | C4 | H3 | 120.0° | 118.1° |
| C2 | C3 | C4 | H3A | 120.0° | 117.9° |
| C3 | C2 | C1 | H1 | 124.0° | 141.6° |
| C3 | C2 | H2 | H2A | 122.8° | 123.2° |
| C2 | C3 | H3 | H3A | 120.2° | 123.9° |
| C2 | C3 | C4 | H4 | 94.1° | 81.6° |
| C2 | C3 | C4 | H4A | 145.9° | 156.1° |
| C4 | C3 | C2 | H2 | 141.2° | 154.1° |
| C4 | C3 | C2 | H2A | 98.8° | 82.7° |
| C4 | C3 | H3 | H3A | 120.3° | 123.9° |
| C3 | C4 | H4 | H4A | 122.5° | 122.3° |
| O22 | C7 | N23 | C24 | 1.2° | 0.0° |
| O22 | C7 | C1 | H1 | 142.2° | 121.1° |
| O22 | C7 | N23 | HN23 | 178.9° | 180.0° |
| C7 | N23 | C24 | HN23 | 180.0° | 180.0° |
| C7 | N23 | C24 | C25 | 112.9° | 180.0° |
| N23 | C7 | C1 | H1 | 37.2° | 58.9° |
| C7 | N23 | C24 | H24 | 127.1° | 60.0° |
| C7 | N23 | C24 | H24A | 7.1° | 60.0° |
| N23 | C24 | C25 | H24 | 120.0° | 120.1° |
| N23 | C24 | C25 | H24A | 120.0° | 120.0° |
| N23 | C24 | C25 | C26 | 116.6° | 90.0° |
| N23 | C24 | C25 | C30 | 63.3° | 90.3° |
| N23 | C24 | H24 | H24A | 119.0° | 120.1° |
| C24 | C25 | C26 | C30 | 180.0° | 179.7° |
| C24 | C25 | C26 | C27 | 180.0° | 179.9° |
| C24 | C25 | C30 | C29 | 180.0° | 179.7° |
| C25 | C24 | N23 | HN23 | 67.1° | 0.0° |
| C25 | C24 | H24 | H24A | 119.0° | 119.9° |
| C24 | C25 | C26 | H26 | 0.0° | 0.0° |
| C24 | C25 | C30 | H30 | 0.0° | 0.1° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.0° | 0.1° |
| C26 | C25 | C30 | C29 | 0.0° | 0.6° |
| C26 | C25 | C24 | H24 | 3.4° | 30.0° |
| C26 | C25 | C24 | H24A | 123.4° | 149.9° |
| C25 | C26 | C27 | H27 | 180.0° | 179.9° |
| C26 | C25 | C30 | H30 | 180.0° | 179.7° |
| C30 | C25 | C26 | C27 | 0.0° | 0.4° |
| C25 | C30 | C29 | C28 | 0.0° | 0.6° |
| C25 | C30 | C29 | H30 | 180.0° | 179.6° |
| C30 | C25 | C24 | H24 | 176.7° | 149.6° |
| C30 | C25 | C24 | H24A | 56.6° | 29.8° |
| C30 | C25 | C26 | H26 | 180.0° | 179.7° |
| C25 | C30 | C29 | H29 | 180.0° | 179.6° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C21 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.0° | 0.0° |
| C27 | C28 | C21 | C29 | 180.0° | 180.0° |
| C27 | C28 | C21 | N46 | 32.8° | 0.0° |
| C27 | C28 | C21 | N47 | 147.2° | 180.0° |
| C27 | C28 | C29 | C30 | 0.0° | 0.2° |
| C28 | C27 | C26 | H26 | 180.0° | 180.0° |
| C27 | C28 | C29 | H29 | 180.0° | 180.0° |
| C28 | C21 | N46 | N47 | 180.0° | 180.0° |
| C21 | C28 | C29 | C30 | 180.0° | 179.7° |
| C21 | C28 | C27 | H27 | 0.0° | 0.1° |
| C28 | C21 | N46 | HN46 | 180.0° | 180.0° |
| C28 | C21 | N47 | HN47 | 180.0° | 0.0° |
| C28 | C21 | N47 | HN4A | 0.0° | 180.0° |
| C21 | C28 | C29 | H29 | 0.0° | 0.1° |
| C29 | C28 | C21 | N46 | 147.2° | 180.0° |
| C29 | C28 | C21 | N47 | 32.8° | 0.1° |
| C28 | C29 | C30 | H29 | 180.0° | 179.8° |
| C29 | C28 | C27 | H27 | 180.0° | 180.0° |
| C28 | C29 | C30 | H30 | 180.0° | 179.8° |
| N46 | C21 | N47 | HN47 | 0.0° | 180.0° |
| N46 | C21 | N47 | HN4A | 180.0° | 0.0° |
| N47 | C21 | N46 | HN46 | 0.0° | 0.0° |
| C21 | N47 | HN47 | HN4A | 180.0° | 180.0° |
| H44 | C44 | C49 | H49 | 174.6° | 180.0° |
| H44 | C44 | C49 | H49A | 54.6° | 60.0° |
| H44 | C44 | C45 | H45 | 53.7° | 60.0° |
| H44 | C44 | C45 | H45A | 173.7° | 180.0° |
| H49 | C49 | C48 | H48 | 61.1° | 59.9° |
| H49 | C49 | C48 | H48A | 178.9° | 179.9° |
| H49A | C49 | C48 | H48 | 58.9° | 60.0° |
| H49A | C49 | C48 | H48A | 61.1° | 60.0° |
| H48 | C48 | C47 | H47 | 58.4° | 60.0° |
| H48 | C48 | C47 | H47A | 61.7° | 60.0° |
| H48A | C48 | C47 | H47 | 178.4° | 180.0° |
| H48A | C48 | C47 | H47A | 58.3° | 60.0° |
| H47 | C47 | C46 | H46 | 59.6° | 60.1° |
| H47 | C47 | C46 | H46A | 179.7° | 180.0° |
| H47A | C47 | C46 | H46 | 60.4° | 60.0° |
| H47A | C47 | C46 | H46A | 59.7° | 60.0° |
| H46 | C46 | C45 | H45 | 63.2° | 60.0° |
| H46 | C46 | C45 | H45A | 56.8° | 60.0° |
| H46A | C46 | C45 | H45 | 56.8° | 60.0° |
| H46A | C46 | C45 | H45A | 176.8° | 180.0° |
| H1 | C1 | C2 | H2 | 115.9° | 100.1° |
| H1 | C1 | C2 | H2A | 4.0° | 23.2° |
| H2 | C2 | C3 | H3 | 21.1° | 35.8° |
| H2 | C2 | C3 | H3A | 98.8° | 88.1° |
| H2A | C2 | C3 | H3 | 141.2° | 159.0° |
| H2A | C2 | C3 | H3A | 21.2° | 35.1° |
| H3 | C3 | C4 | H4 | 145.9° | 160.4° |
| H3 | C3 | C4 | H4A | 25.9° | 38.0° |
| H3A | C3 | C4 | H4 | 25.9° | 36.4° |
| H3A | C3 | C4 | H4A | 94.1° | 86.0° |
| HN23 | N23 | C24 | H24 | 52.9° | 120.0° |
| HN23 | N23 | C24 | H24A | 172.9° | 120.0° |
| H26 | C26 | C27 | H27 | 0.0° | 0.0° |
| H29 | C29 | C30 | H30 | 0.0° | 0.0° |
