PRD_000606
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.55Å | 1.51Å | |
| C2 | C1 | sing | 1.54Å | 1.51Å | |
| C24 | N23 | sing | 1.47Å | 1.42Å | |
| C24 | C25 | sing | 1.51Å | 1.48Å | |
| N23 | C7 | sing | 1.35Å | 1.30Å | |
| C3 | C4 | sing | 1.55Å | 1.51Å | |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | O22 | doub | 1.21Å | 1.22Å | |
| C7 | C1 | sing | 1.51Å | 1.49Å | |
| C1 | N1 | sing | 1.47Å | 1.46Å | |
| C25 | C30 | sing | 1.38Å | 1.36Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C14 | sing | 1.35Å | 1.33Å | |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.38Å | Aromatic |
| C28 | C9 | sing | 1.48Å | 1.50Å | |
| C14 | O32 | doub | 1.21Å | 1.23Å | |
| C14 | C5 | sing | 1.51Å | 1.49Å | |
| N47 | C9 | sing | 1.38Å | 1.32Å | |
| C9 | N46 | doub | 1.30Å | 1.33Å | |
| C5 | C21 | sing | 1.53Å | 1.50Å | |
| C45 | C44 | sing | 1.54Å | 1.56Å | |
| C45 | C47 | sing | 1.55Å | 1.56Å | |
| C44 | C21 | sing | 1.53Å | 1.53Å | |
| C44 | C49 | sing | 1.54Å | 1.55Å | |
| C47 | C48 | sing | 1.55Å | 1.53Å | |
| C48 | C49 | sing | 1.54Å | 1.54Å | |
| 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 | |
| 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 | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | 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 | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 110.9° | 102.9° |
| C2 | C3 | C4 | 101.6° | 101.6° |
| C3 | C2 | H2 | 109.0° | 110.7° |
| C3 | C2 | H2A | 108.7° | 110.7° |
| C2 | C3 | H3 | 112.2° | 111.0° |
| C2 | C3 | H3A | 113.8° | 111.0° |
| C2 | C1 | C7 | 111.3° | 109.9° |
| C2 | C1 | N1 | 100.7° | 107.3° |
| C2 | C1 | H1 | 115.5° | 110.0° |
| C1 | C2 | H2 | 109.0° | 110.8° |
| C1 | C2 | H2A | 108.7° | 110.8° |
| N23 | C24 | C25 | 113.8° | 109.5° |
| C24 | N23 | C7 | 127.8° | 120.0° |
| C24 | N23 | HN23 | 116.1° | 120.0° |
| N23 | C24 | H24 | 108.0° | 109.4° |
| N23 | C24 | H24A | 107.1° | 109.5° |
| C24 | C25 | C26 | 117.0° | 119.9° |
| C24 | C25 | C30 | 123.3° | 119.9° |
| C25 | C24 | H24 | 108.1° | 109.5° |
| C25 | C24 | H24A | 107.1° | 109.5° |
| N23 | C7 | O22 | 117.3° | 120.0° |
| N23 | C7 | C1 | 121.9° | 120.0° |
| C7 | N23 | HN23 | 116.0° | 120.0° |
| C3 | C4 | N1 | 105.6° | 104.8° |
| C4 | C3 | H3 | 112.2° | 111.0° |
| C4 | C3 | H3A | 113.8° | 111.0° |
| C3 | C4 | H4 | 110.8° | 110.4° |
| C3 | C4 | H4A | 111.6° | 110.4° |
| C25 | C26 | C27 | 119.3° | 120.1° |
| C26 | C25 | C30 | 119.7° | 120.2° |
| C25 | C26 | H26 | 120.4° | 119.9° |
| C26 | C27 | C28 | 121.7° | 119.9° |
| C27 | C26 | H26 | 120.3° | 120.0° |
| C26 | C27 | H27 | 119.1° | 120.0° |
| O22 | C7 | C1 | 120.8° | 120.0° |
| C7 | C1 | N1 | 113.8° | 109.9° |
| C7 | C1 | H1 | 102.9° | 109.9° |
| C1 | N1 | C4 | 113.9° | 108.7° |
| C1 | N1 | C14 | 121.5° | 125.6° |
| N1 | C1 | H1 | 113.2° | 109.9° |
| C25 | C30 | C29 | 120.1° | 120.2° |
| C25 | C30 | H30 | 119.9° | 119.9° |
| C27 | C28 | C29 | 117.0° | 119.7° |
| C27 | C28 | C9 | 120.7° | 120.2° |
| C28 | C27 | H27 | 119.2° | 120.1° |
| C4 | N1 | C14 | 124.6° | 125.6° |
| N1 | C4 | H4 | 110.8° | 110.4° |
| N1 | C4 | H4A | 111.6° | 110.4° |
| N1 | C14 | O32 | 120.6° | 120.0° |
| N1 | C14 | C5 | 116.0° | 120.0° |
| C30 | C29 | C28 | 122.2° | 119.8° |
| C30 | C29 | H29 | 118.9° | 120.1° |
| C29 | C30 | H30 | 119.9° | 119.9° |
| C29 | C28 | C9 | 122.3° | 120.1° |
| C28 | C29 | H29 | 118.9° | 120.1° |
| C28 | C9 | N47 | 120.0° | 120.0° |
| C28 | C9 | N46 | 120.1° | 120.0° |
| O32 | C14 | C5 | 123.4° | 120.0° |
| C14 | C5 | C21 | 112.6° | 109.5° |
| C14 | C5 | H5 | 108.4° | 109.5° |
| C14 | C5 | H5A | 107.7° | 109.5° |
| N47 | C9 | N46 | 119.9° | 120.0° |
| C9 | N47 | HN47 | 108.5° | 120.0° |
| C9 | N47 | HN4A | 125.7° | 120.0° |
| C9 | N46 | HN46 | 108.5° | 120.0° |
| C5 | C21 | C44 | 107.1° | 109.5° |
| C21 | C5 | H5 | 108.5° | 109.4° |
| C21 | C5 | H5A | 107.8° | 109.5° |
| C5 | C21 | H21 | 110.2° | 109.4° |
| C5 | C21 | H21A | 110.8° | 109.5° |
| C44 | C45 | C47 | 105.4° | 104.2° |
| C45 | C44 | C21 | 117.6° | 110.0° |
| C45 | C44 | C49 | 103.7° | 106.6° |
| C45 | C44 | H44 | 107.1° | 110.1° |
| C44 | C45 | H45 | 110.9° | 110.5° |
| C44 | C45 | H45A | 111.7° | 110.5° |
| C45 | C47 | C48 | 108.4° | 102.7° |
| C45 | C47 | H47 | 109.8° | 110.7° |
| C45 | C47 | H47A | 110.1° | 110.9° |
| C47 | C45 | H45 | 110.8° | 110.5° |
| C47 | C45 | H45A | 111.7° | 110.5° |
| C21 | C44 | C49 | 106.4° | 110.0° |
| C44 | C21 | H21 | 110.3° | 109.4° |
| C44 | C21 | H21A | 110.8° | 109.5° |
| C21 | C44 | H44 | 104.4° | 110.0° |
| C44 | C49 | C48 | 105.8° | 106.6° |
| C49 | C44 | H44 | 118.2° | 110.0° |
| C44 | C49 | H49 | 110.7° | 110.0° |
| C44 | C49 | H49A | 111.5° | 110.1° |
| C47 | C48 | C49 | 105.2° | 104.2° |
| C47 | C48 | H48 | 110.9° | 110.5° |
| C47 | C48 | H48A | 111.8° | 110.6° |
| C48 | C47 | H47 | 109.9° | 110.8° |
| C48 | C47 | H47A | 110.1° | 110.8° |
| C48 | C49 | H49 | 110.7° | 110.0° |
| C48 | C49 | H49A | 111.5° | 110.0° |
| C49 | C48 | H48 | 110.9° | 110.5° |
| C49 | C48 | H48A | 111.8° | 110.5° |
| H24 | C24 | H24A | 112.9° | 109.5° |
| HN47 | N47 | HN4A | 125.7° | 120.0° |
| H2 | C2 | H2A | 110.6° | 110.8° |
| H3 | C3 | H3A | 103.6° | 110.9° |
| H4 | C4 | H4A | 106.5° | 110.4° |
| H5 | C5 | H5A | 111.9° | 109.5° |
| H21 | C21 | H21A | 107.7° | 109.5° |
| H49 | C49 | H49A | 106.7° | 110.1° |
| H48 | C48 | H48A | 106.2° | 110.4° |
| H47 | C47 | H47A | 108.6° | 110.7° |
| H45 | C45 | H45A | 106.4° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H2 | 120.0° | 118.3° |
| C3 | C2 | C1 | H2A | 119.4° | 118.3° |
| C2 | C3 | C4 | H3 | 120.0° | 118.1° |
| C2 | C3 | C4 | H3A | 122.8° | 118.1° |
| C3 | C2 | C1 | C7 | 142.2° | 141.6° |
| C3 | C2 | C1 | N1 | 21.3° | 22.2° |
| C2 | C3 | C4 | N1 | 22.5° | 37.0° |
| C3 | C2 | C1 | H1 | 101.0° | 97.3° |
| C3 | C2 | H2 | H2A | 119.4° | 123.2° |
| C2 | C3 | H3 | H3A | 123.2° | 123.9° |
| C2 | C3 | C4 | H4 | 97.5° | 81.9° |
| C2 | C3 | C4 | H4A | 144.0° | 155.8° |
| C2 | C1 | C7 | N23 | 107.1° | 62.4° |
| C1 | C2 | C3 | C4 | 27.9° | 35.5° |
| C2 | C1 | C7 | O22 | 74.6° | 117.8° |
| C2 | C1 | C7 | N1 | 112.9° | 117.8° |
| C2 | C1 | C7 | H1 | 124.3° | 121.1° |
| C2 | C1 | N1 | H1 | 123.9° | 119.6° |
| C2 | C1 | N1 | C4 | 5.9° | 1.0° |
| C2 | C1 | N1 | C14 | 173.4° | 178.9° |
| C1 | C2 | H2 | H2A | 119.4° | 123.3° |
| C1 | C2 | C3 | H3 | 148.0° | 153.6° |
| C1 | C2 | C3 | H3A | 94.8° | 82.5° |
| N23 | C24 | C25 | H24 | 120.0° | 120.0° |
| N23 | C24 | C25 | H24A | 118.1° | 120.0° |
| C24 | N23 | C7 | HN23 | 180.0° | 179.9° |
| N23 | C24 | C25 | C26 | 126.0° | 89.7° |
| C24 | N23 | C7 | O22 | 3.3° | 0.1° |
| C24 | N23 | C7 | C1 | 178.3° | 179.7° |
| N23 | C24 | C25 | C30 | 54.0° | 89.9° |
| N23 | C24 | H24 | H24A | 118.2° | 120.0° |
| C25 | C24 | N23 | C7 | 106.9° | 180.0° |
| C24 | C25 | C26 | C30 | 180.0° | 179.7° |
| C24 | C25 | C26 | C27 | 180.0° | 180.0° |
| C24 | C25 | C30 | C29 | 180.0° | 179.7° |
| C25 | C24 | N23 | HN23 | 73.1° | 0.0° |
| C25 | C24 | H24 | H24A | 118.3° | 120.0° |
| C24 | C25 | C26 | H26 | 0.0° | 0.0° |
| C24 | C25 | C30 | H30 | 0.0° | 0.0° |
| N23 | C7 | O22 | C1 | 178.4° | 179.8° |
| N23 | C7 | C1 | N1 | 140.0° | 179.8° |
| C7 | N23 | C24 | H24 | 133.1° | 60.0° |
| C7 | N23 | C24 | H24A | 11.2° | 60.0° |
| N23 | C7 | C1 | H1 | 17.2° | 58.7° |
| C3 | C4 | N1 | C1 | 11.0° | 24.1° |
| C3 | C4 | N1 | H4 | 120.0° | 118.8° |
| C3 | C4 | N1 | H4A | 121.5° | 118.9° |
| C3 | C4 | N1 | C14 | 169.8° | 155.9° |
| C4 | C3 | C2 | H2 | 147.9° | 82.9° |
| C4 | C3 | C2 | H2A | 91.5° | 153.9° |
| C4 | C3 | H3 | H3A | 123.2° | 123.9° |
| C3 | C4 | H4 | H4A | 121.6° | 122.3° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.0° | 0.0° |
| C26 | C25 | C30 | C29 | 0.0° | 0.6° |
| C26 | C25 | C24 | H24 | 6.0° | 150.3° |
| C26 | C25 | C24 | H24A | 115.9° | 30.3° |
| C25 | C26 | C27 | H27 | 180.0° | 180.0° |
| C26 | C25 | C30 | H30 | 180.0° | 179.7° |
| C27 | C26 | C25 | C30 | 0.0° | 0.3° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.0° | 0.0° |
| C26 | C27 | C28 | C9 | 180.0° | 180.0° |
| O22 | C7 | C1 | N1 | 38.3° | 0.0° |
| O22 | C7 | N23 | HN23 | 176.7° | 180.0° |
| O22 | C7 | C1 | H1 | 161.1° | 121.1° |
| C7 | C1 | N1 | H1 | 117.0° | 121.0° |
| C7 | C1 | N1 | C4 | 125.0° | 118.4° |
| C7 | C1 | N1 | C14 | 54.3° | 61.7° |
| C1 | C7 | N23 | HN23 | 1.7° | 0.2° |
| C7 | C1 | C2 | H2 | 97.8° | 23.3° |
| C7 | C1 | C2 | H2A | 22.8° | 100.1° |
| C1 | N1 | C4 | C14 | 179.2° | 180.0° |
| C1 | N1 | C14 | O32 | 5.3° | 0.0° |
| C1 | N1 | C14 | C5 | 174.9° | 180.0° |
| N1 | C1 | C2 | H2 | 141.3° | 96.1° |
| N1 | C1 | C2 | H2A | 98.1° | 140.5° |
| C1 | N1 | C4 | H4 | 109.0° | 94.7° |
| C1 | N1 | C4 | H4A | 132.4° | 143.0° |
| C25 | C30 | C29 | H30 | 180.0° | 179.7° |
| C25 | C30 | C29 | C28 | 0.1° | 0.6° |
| C30 | C25 | C24 | H24 | 174.0° | 30.0° |
| C30 | C25 | C24 | H24A | 64.1° | 150.1° |
| C30 | C25 | C26 | H26 | 179.9° | 179.7° |
| C25 | C30 | C29 | H29 | 179.9° | 179.7° |
| C27 | C28 | C29 | C30 | 0.1° | 0.3° |
| C27 | C28 | C29 | C9 | 179.9° | 180.0° |
| C27 | C28 | C9 | N47 | 36.1° | 180.0° |
| C27 | C28 | C9 | N46 | 143.8° | 0.0° |
| C28 | C27 | C26 | H26 | 180.0° | 180.0° |
| C27 | C28 | C29 | H29 | 179.9° | 180.0° |
| C4 | N1 | C14 | O32 | 173.8° | 180.0° |
| C4 | N1 | C14 | C5 | 6.0° | 0.0° |
| C4 | N1 | C1 | H1 | 118.0° | 120.6° |
| N1 | C4 | C3 | H3 | 142.5° | 155.1° |
| N1 | C4 | C3 | H3A | 100.3° | 81.1° |
| N1 | C4 | H4 | H4A | 121.6° | 122.3° |
| N1 | C14 | O32 | C5 | 179.8° | 180.0° |
| N1 | C14 | C5 | C21 | 122.2° | 180.0° |
| C14 | N1 | C1 | H1 | 62.7° | 59.3° |
| C14 | N1 | C4 | H4 | 70.2° | 85.3° |
| C14 | N1 | C4 | H4A | 48.3° | 37.0° |
| N1 | C14 | C5 | H5 | 117.8° | 60.1° |
| N1 | C14 | C5 | H5A | 3.5° | 60.0° |
| C30 | C29 | C28 | H29 | 180.0° | 179.7° |
| C30 | C29 | C28 | C9 | 180.0° | 179.7° |
| C29 | C28 | C9 | N47 | 144.0° | 0.1° |
| C29 | C28 | C9 | N46 | 36.1° | 180.0° |
| C29 | C28 | C27 | H27 | 179.9° | 180.0° |
| C28 | C29 | C30 | H30 | 179.9° | 179.7° |
| C28 | C9 | N47 | N46 | 179.9° | 179.9° |
| C9 | C28 | C27 | H27 | 0.0° | 0.1° |
| C28 | C9 | N46 | HN46 | 0.0° | 0.0° |
| C28 | C9 | N47 | HN47 | 180.0° | 0.1° |
| C28 | C9 | N47 | HN4A | 0.0° | 180.0° |
| C9 | C28 | C29 | H29 | 0.0° | 0.1° |
| O32 | C14 | C5 | C21 | 58.0° | 0.0° |
| O32 | C14 | C5 | H5 | 62.0° | 120.0° |
| O32 | C14 | C5 | H5A | 176.7° | 120.0° |
| C14 | C5 | C21 | H5 | 120.0° | 120.0° |
| C14 | C5 | C21 | H5A | 118.7° | 120.1° |
| C14 | C5 | C21 | C44 | 73.2° | 180.0° |
| C14 | C5 | H5 | H5A | 118.7° | 120.1° |
| C14 | C5 | C21 | H21 | 46.8° | 60.0° |
| C14 | C5 | C21 | H21A | 165.9° | 59.9° |
| N47 | C9 | N46 | HN46 | 179.9° | 180.0° |
| C9 | N47 | HN47 | HN4A | 180.0° | 180.0° |
| N46 | C9 | N47 | HN47 | 0.1° | 180.0° |
| N46 | C9 | N47 | HN4A | 179.9° | 0.1° |
| C5 | C21 | C44 | C45 | 62.5° | 67.9° |
| C5 | C21 | C44 | H21 | 120.0° | 120.0° |
| C5 | C21 | C44 | H21A | 120.9° | 120.1° |
| C5 | C21 | C44 | C49 | 178.2° | 175.0° |
| C21 | C5 | H5 | H5A | 118.7° | 119.9° |
| C5 | C21 | H21 | H21A | 120.9° | 120.0° |
| C5 | C21 | C44 | H44 | 56.0° | 53.6° |
| C44 | C45 | C47 | H45 | 120.0° | 118.7° |
| C44 | C45 | C47 | H45A | 121.5° | 118.7° |
| C45 | C44 | C21 | C49 | 115.7° | 117.2° |
| C45 | C44 | C21 | H44 | 118.5° | 121.5° |
| C45 | C44 | C49 | H44 | 118.3° | 119.4° |
| C44 | C45 | C47 | C48 | 8.1° | 37.9° |
| C45 | C44 | C49 | C48 | 34.4° | 0.0° |
| C45 | C44 | C21 | H21 | 177.5° | 172.2° |
| C45 | C44 | C21 | H21A | 58.4° | 52.2° |
| C45 | C44 | C49 | H49 | 154.4° | 119.2° |
| C45 | C44 | C49 | H49A | 87.0° | 119.3° |
| C44 | C45 | C47 | H47 | 128.1° | 80.4° |
| C44 | C45 | C47 | H47A | 112.3° | 156.3° |
| C44 | C45 | H45 | H45A | 121.7° | 122.6° |
| C47 | C45 | C44 | C21 | 142.9° | 142.9° |
| C47 | C45 | C44 | C49 | 25.8° | 23.6° |
| C45 | C47 | C48 | H47 | 120.0° | 118.3° |
| C45 | C47 | C48 | H47A | 120.4° | 118.5° |
| C45 | C47 | C48 | C49 | 13.0° | 37.9° |
| C47 | C45 | C44 | H44 | 100.0° | 95.7° |
| C45 | C47 | C48 | H48 | 133.0° | 156.6° |
| C45 | C47 | C48 | H48A | 108.5° | 80.8° |
| C45 | C47 | H47 | H47A | 120.4° | 123.4° |
| C47 | C45 | H45 | H45A | 121.7° | 122.6° |
| C21 | C44 | C49 | H44 | 116.9° | 121.4° |
| C21 | C44 | C49 | C48 | 159.1° | 119.3° |
| C44 | C21 | C5 | H5 | 166.8° | 60.0° |
| C44 | C21 | C5 | H5A | 45.4° | 60.0° |
| C44 | C21 | H21 | H21A | 121.0° | 120.0° |
| C21 | C44 | C49 | H49 | 80.9° | 121.5° |
| C21 | C44 | C49 | H49A | 37.8° | 0.0° |
| C21 | C44 | C45 | H45 | 22.9° | 24.2° |
| C21 | C44 | C45 | H45A | 95.6° | 98.4° |
| C44 | C49 | C48 | C47 | 29.5° | 23.6° |
| C44 | C49 | C48 | H49 | 120.0° | 119.2° |
| C44 | C49 | C48 | H49A | 121.4° | 119.3° |
| C49 | C44 | C21 | H21 | 61.8° | 55.0° |
| C49 | C44 | C21 | H21A | 57.3° | 65.0° |
| C44 | C49 | H49 | H49A | 121.5° | 121.5° |
| C44 | C49 | C48 | H48 | 149.5° | 142.3° |
| C44 | C49 | C48 | H48A | 92.1° | 95.2° |
| C49 | C44 | C45 | H45 | 94.2° | 95.1° |
| C49 | C44 | C45 | H45A | 147.3° | 142.3° |
| C47 | C48 | C49 | H48 | 120.0° | 118.7° |
| C47 | C48 | C49 | H48A | 121.6° | 118.8° |
| C47 | C48 | C49 | H49 | 149.6° | 95.6° |
| C47 | C48 | C49 | H49A | 91.9° | 142.9° |
| C47 | C48 | H48 | H48A | 121.7° | 122.7° |
| C48 | C47 | H47 | H47A | 120.5° | 123.3° |
| C48 | C47 | C45 | H45 | 111.9° | 80.8° |
| C48 | C47 | C45 | H45A | 129.6° | 156.7° |
| C48 | C49 | C44 | H44 | 83.9° | 119.4° |
| C48 | C49 | H49 | H49A | 121.4° | 121.4° |
| C49 | C48 | H48 | H48A | 121.7° | 122.5° |
| C49 | C48 | C47 | H47 | 107.0° | 80.4° |
| C49 | C48 | C47 | H47A | 133.5° | 156.4° |
| HN23 | N23 | C24 | H24 | 46.9° | 120.1° |
| HN23 | N23 | C24 | H24A | 168.8° | 119.9° |
| H26 | C26 | C27 | H27 | 0.0° | 0.0° |
| H29 | C29 | C30 | H30 | 0.1° | 0.0° |
| H1 | C1 | C2 | H2 | 19.1° | 144.3° |
| H1 | C1 | C2 | H2A | 139.6° | 21.0° |
| H2 | C2 | C3 | H3 | 92.0° | 35.2° |
| H2 | C2 | C3 | H3A | 25.2° | 159.1° |
| H2A | C2 | C3 | H3 | 28.6° | 88.0° |
| H2A | C2 | C3 | H3A | 145.8° | 35.8° |
| H3 | C3 | C4 | H4 | 22.5° | 36.3° |
| H3 | C3 | C4 | H4A | 96.0° | 86.1° |
| H3A | C3 | C4 | H4 | 139.7° | 160.1° |
| H3A | C3 | C4 | H4A | 21.2° | 37.8° |
| H5 | C5 | C21 | H21 | 73.2° | 180.0° |
| H5 | C5 | C21 | H21A | 45.9° | 60.0° |
| H5A | C5 | C21 | H21 | 165.5° | 60.0° |
| H5A | C5 | C21 | H21A | 75.5° | 180.0° |
| H21 | C21 | C44 | H44 | 64.0° | 66.4° |
| H21A | C21 | C44 | H44 | 176.9° | 173.6° |
| H44 | C44 | C49 | H49 | 36.1° | 0.1° |
| H44 | C44 | C49 | H49A | 154.7° | 121.3° |
| H44 | C44 | C45 | H45 | 140.0° | 145.6° |
| H44 | C44 | C45 | H45A | 21.5° | 23.0° |
| H49 | C49 | C48 | H48 | 90.4° | 23.1° |
| H49 | C49 | C48 | H48A | 27.9° | 145.5° |
| H49A | C49 | C48 | H48 | 28.1° | 98.4° |
| H49A | C49 | C48 | H48A | 146.5° | 24.1° |
| H48 | C48 | C47 | H47 | 13.0° | 38.3° |
| H48 | C48 | C47 | H47A | 106.5° | 84.9° |
| H48A | C48 | C47 | H47 | 131.4° | 160.9° |
| H48A | C48 | C47 | H47A | 11.9° | 37.6° |
| H47 | C47 | C45 | H45 | 8.1° | 160.9° |
| H47 | C47 | C45 | H45A | 110.3° | 38.4° |
| H47A | C47 | C45 | H45 | 127.7° | 37.6° |
| H47A | C47 | C45 | H45A | 9.2° | 84.9° |
