PRD_000607
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.55Å | 1.53Å | |
| C2 | C1 | sing | 1.54Å | 1.54Å | |
| C24 | N23 | sing | 1.47Å | 1.44Å | |
| C24 | C25 | sing | 1.51Å | 1.55Å | |
| N23 | C7 | sing | 1.35Å | 1.27Å | |
| C3 | C4 | sing | 1.55Å | 1.55Å | |
| C30 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | O22 | doub | 1.21Å | 1.23Å | |
| C7 | C1 | sing | 1.51Å | 1.51Å | |
| C1 | N1 | sing | 1.47Å | 1.45Å | |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C28 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C14 | sing | 1.35Å | 1.29Å | |
| C26 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | C27 | sing | 1.40Å | 1.40Å | Aromatic |
| C28 | C21 | sing | 1.48Å | 1.51Å | |
| C14 | O32 | doub | 1.21Å | 1.22Å | |
| C14 | C5 | sing | 1.51Å | 1.53Å | |
| N47 | C21 | sing | 1.38Å | 1.28Å | |
| C21 | N46 | doub | 1.30Å | 1.28Å | |
| C5 | C43 | sing | 1.53Å | 1.55Å | |
| C46 | C45 | sing | 1.53Å | 1.53Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| C45 | C44 | sing | 1.53Å | 1.54Å | |
| C44 | C43 | sing | 1.53Å | 1.55Å | |
| C44 | C49 | sing | 1.53Å | 1.53Å | |
| C47 | C48 | sing | 1.53Å | 1.53Å | |
| C48 | C49 | sing | 1.53Å | 1.56Å | |
| C1 | H1 | 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 | |
| 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 | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 108.2° | 102.9° |
| C2 | C3 | C4 | 107.0° | 101.5° |
| C3 | C2 | H2 | 109.9° | 110.7° |
| C3 | C2 | H2A | 109.9° | 110.7° |
| C2 | C3 | H3 | 110.3° | 111.0° |
| C2 | C3 | H3A | 110.3° | 111.0° |
| C2 | C1 | C7 | 110.4° | 110.0° |
| C2 | C1 | N1 | 98.2° | 107.3° |
| C2 | C1 | H1 | 116.8° | 109.9° |
| C1 | C2 | H2 | 109.9° | 110.6° |
| C1 | C2 | H2A | 109.9° | 110.9° |
| N23 | C24 | C25 | 109.1° | 109.5° |
| C24 | N23 | C7 | 120.8° | 120.0° |
| C24 | N23 | HN23 | 119.6° | 120.0° |
| N23 | C24 | H24 | 109.6° | 109.5° |
| N23 | C24 | H24A | 109.6° | 109.4° |
| C24 | C25 | C30 | 120.2° | 119.9° |
| C24 | C25 | C26 | 119.6° | 119.8° |
| C25 | C24 | H24 | 109.6° | 109.5° |
| C25 | C24 | H24A | 109.6° | 109.5° |
| N23 | C7 | O22 | 126.7° | 120.0° |
| N23 | C7 | C1 | 111.9° | 120.0° |
| C7 | N23 | HN23 | 119.6° | 120.0° |
| C3 | C4 | N1 | 98.9° | 104.7° |
| C4 | C3 | H3 | 110.3° | 111.2° |
| C4 | C3 | H3A | 110.3° | 110.9° |
| C3 | C4 | H4 | 113.1° | 110.4° |
| C3 | C4 | H4A | 113.2° | 110.4° |
| C25 | C30 | C29 | 120.9° | 120.1° |
| C30 | C25 | C26 | 120.1° | 120.3° |
| C25 | C30 | H30 | 119.6° | 119.9° |
| C30 | C29 | C28 | 119.1° | 119.9° |
| C30 | C29 | H29 | 120.4° | 120.1° |
| C29 | C30 | H30 | 119.6° | 120.0° |
| O22 | C7 | C1 | 121.4° | 120.0° |
| C7 | C1 | N1 | 111.9° | 109.9° |
| C7 | C1 | H1 | 104.3° | 109.9° |
| C1 | N1 | C4 | 122.4° | 108.7° |
| C1 | N1 | C14 | 119.5° | 125.7° |
| N1 | C1 | H1 | 115.4° | 109.9° |
| C25 | C26 | C27 | 119.7° | 120.1° |
| C25 | C26 | H26 | 120.1° | 119.9° |
| C29 | C28 | C27 | 119.8° | 119.7° |
| C29 | C28 | C21 | 116.7° | 120.2° |
| C28 | C29 | H29 | 120.4° | 120.1° |
| C4 | N1 | C14 | 117.8° | 125.7° |
| N1 | C4 | H4 | 113.2° | 110.7° |
| N1 | C4 | H4A | 113.1° | 110.1° |
| N1 | C14 | O32 | 121.5° | 120.0° |
| N1 | C14 | C5 | 123.3° | 120.0° |
| C26 | C27 | C28 | 120.3° | 119.9° |
| C27 | C26 | H26 | 120.2° | 120.0° |
| C26 | C27 | H27 | 119.9° | 120.1° |
| C27 | C28 | C21 | 123.4° | 120.1° |
| C28 | C27 | H27 | 119.8° | 120.1° |
| C28 | C21 | N47 | 117.8° | 120.0° |
| C28 | C21 | N46 | 120.7° | 120.0° |
| O32 | C14 | C5 | 115.1° | 120.0° |
| C14 | C5 | C43 | 110.0° | 109.5° |
| C14 | C5 | H5 | 109.3° | 109.4° |
| C14 | C5 | H5A | 109.3° | 109.5° |
| N47 | C21 | N46 | 121.5° | 120.0° |
| C21 | N47 | HN47 | 120.0° | 120.0° |
| C21 | N47 | HN4A | 120.0° | 120.0° |
| C21 | N46 | HN46 | 112.0° | 120.0° |
| C5 | C43 | C44 | 115.0° | 109.5° |
| C43 | C5 | H5 | 109.3° | 109.5° |
| C43 | C5 | H5A | 109.3° | 109.5° |
| C5 | C43 | H43 | 107.7° | 109.5° |
| C5 | C43 | H43A | 107.6° | 109.4° |
| C45 | C46 | C47 | 118.2° | 109.5° |
| C46 | C45 | C44 | 111.0° | 109.5° |
| C45 | C46 | H46 | 106.6° | 109.5° |
| C45 | C46 | H46A | 106.7° | 109.5° |
| C46 | C45 | H45 | 109.0° | 109.5° |
| C46 | C45 | H45A | 109.0° | 109.5° |
| C46 | C47 | C48 | 116.1° | 109.5° |
| C46 | C47 | H47 | 107.3° | 109.4° |
| C46 | C47 | H47A | 107.3° | 109.5° |
| C47 | C46 | H46 | 106.7° | 109.5° |
| C47 | C46 | H46A | 106.6° | 109.5° |
| C45 | C44 | C43 | 113.9° | 109.5° |
| C45 | C44 | C49 | 110.0° | 109.5° |
| C45 | C44 | H44 | 107.3° | 109.4° |
| C44 | C45 | H45 | 109.0° | 109.4° |
| C44 | C45 | H45A | 109.0° | 109.5° |
| C43 | C44 | C49 | 113.2° | 109.5° |
| C44 | C43 | H43 | 107.7° | 109.5° |
| C44 | C43 | H43A | 107.7° | 109.5° |
| C43 | C44 | H44 | 103.7° | 109.5° |
| C44 | C49 | C48 | 114.2° | 109.5° |
| C49 | C44 | H44 | 108.2° | 109.5° |
| C44 | C49 | H49 | 107.9° | 109.5° |
| C44 | C49 | H49A | 107.9° | 109.4° |
| C47 | C48 | C49 | 111.7° | 109.5° |
| C47 | C48 | H48 | 108.7° | 109.5° |
| C47 | C48 | H48A | 108.7° | 109.5° |
| C48 | C47 | H47 | 107.3° | 109.5° |
| C48 | C47 | H47A | 107.3° | 109.5° |
| C48 | C49 | H49 | 107.9° | 109.5° |
| C48 | C49 | H49A | 107.9° | 109.5° |
| C49 | C48 | H48 | 108.7° | 109.5° |
| C49 | C48 | H48A | 108.7° | 109.5° |
| H24 | C24 | H24A | 109.3° | 109.5° |
| HN47 | N47 | HN4A | 120.0° | 120.0° |
| H2 | C2 | H2A | 109.0° | 110.8° |
| H3 | C3 | H3A | 108.7° | 110.9° |
| H4 | C4 | H4A | 105.6° | 110.4° |
| H5 | C5 | H5A | 109.6° | 109.4° |
| H43 | C43 | H43A | 111.2° | 109.5° |
| H49 | C49 | H49A | 111.0° | 109.5° |
| H48 | C48 | H48A | 110.2° | 109.5° |
| H47 | C47 | H47A | 111.5° | 109.5° |
| H46 | C46 | H46A | 112.1° | 109.5° |
| H45 | C45 | H45A | 110.0° | 109.5° |
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 | 120.0° | 118.4° |
| C2 | C3 | C4 | H3 | 120.0° | 118.1° |
| C2 | C3 | C4 | H3A | 120.0° | 118.0° |
| C3 | C2 | C1 | C7 | 137.0° | 97.3° |
| C3 | C2 | C1 | N1 | 19.9° | 22.2° |
| C2 | C3 | C4 | N1 | 15.9° | 37.3° |
| C3 | C2 | C1 | H1 | 104.1° | 141.6° |
| C3 | C2 | H2 | H2A | 120.5° | 123.2° |
| C2 | C3 | H3 | H3A | 121.0° | 123.9° |
| C2 | C3 | C4 | H4 | 104.1° | 81.9° |
| C2 | C3 | C4 | H4A | 135.9° | 155.8° |
| C2 | C1 | C7 | N23 | 108.1° | 62.1° |
| C1 | C2 | C3 | C4 | 23.8° | 35.7° |
| C2 | C1 | C7 | O22 | 71.7° | 117.9° |
| C2 | C1 | C7 | N1 | 108.3° | 117.9° |
| C2 | C1 | C7 | H1 | 126.3° | 121.1° |
| C2 | C1 | N1 | H1 | 125.0° | 119.4° |
| C2 | C1 | N1 | C4 | 10.5° | 1.3° |
| C2 | C1 | N1 | C14 | 175.3° | 179.0° |
| C1 | C2 | H2 | H2A | 120.5° | 123.4° |
| C1 | C2 | C3 | H3 | 143.8° | 82.6° |
| C1 | C2 | C3 | H3A | 96.2° | 153.6° |
| N23 | C24 | C25 | H24 | 120.0° | 120.0° |
| N23 | C24 | C25 | H24A | 120.0° | 120.0° |
| C24 | N23 | C7 | HN23 | 180.0° | 180.0° |
| N23 | C24 | C25 | C30 | 123.0° | 90.2° |
| C24 | N23 | C7 | O22 | 4.0° | 0.1° |
| C24 | N23 | C7 | C1 | 175.7° | 180.0° |
| N23 | C24 | C25 | C26 | 57.0° | 90.0° |
| N23 | C24 | H24 | H24A | 120.2° | 120.0° |
| C25 | C24 | N23 | C7 | 115.2° | 180.0° |
| C24 | C25 | C30 | C26 | 180.0° | 179.8° |
| C24 | C25 | C30 | C29 | 180.0° | 179.7° |
| C24 | C25 | C26 | C27 | 180.0° | 180.0° |
| C25 | C24 | N23 | HN23 | 64.7° | 0.0° |
| C25 | C24 | H24 | H24A | 120.2° | 120.0° |
| C24 | C25 | C26 | H26 | 0.0° | 0.1° |
| C24 | C25 | C30 | H30 | 0.0° | 0.0° |
| N23 | C7 | O22 | C1 | 179.7° | 179.9° |
| N23 | C7 | C1 | N1 | 143.7° | 180.0° |
| N23 | C7 | C1 | H1 | 18.2° | 59.0° |
| C7 | N23 | C24 | H24 | 124.8° | 60.0° |
| C7 | N23 | C24 | H24A | 4.8° | 60.0° |
| C3 | C4 | N1 | C1 | 3.2° | 24.5° |
| C3 | C4 | N1 | H4 | 120.0° | 118.9° |
| C3 | C4 | N1 | H4A | 120.0° | 118.7° |
| C3 | C4 | N1 | C14 | 171.0° | 155.8° |
| C4 | C3 | C2 | H2 | 143.8° | 153.9° |
| C4 | C3 | C2 | H2A | 96.2° | 82.8° |
| C4 | C3 | H3 | H3A | 121.0° | 123.9° |
| C3 | C4 | H4 | H4A | 124.3° | 122.3° |
| C25 | C30 | C29 | H30 | 180.0° | 179.7° |
| C25 | C30 | C29 | C28 | 0.0° | 0.6° |
| C30 | C25 | C26 | C27 | 0.1° | 0.2° |
| C30 | C25 | C24 | H24 | 3.0° | 149.7° |
| C30 | C25 | C24 | H24A | 117.0° | 29.7° |
| C30 | C25 | C26 | H26 | 180.0° | 179.7° |
| C25 | C30 | C29 | H29 | 180.0° | 179.8° |
| C29 | C30 | C25 | C26 | 0.0° | 0.6° |
| C30 | C29 | C28 | H29 | 180.0° | 179.7° |
| C30 | C29 | C28 | C27 | 0.1° | 0.3° |
| C30 | C29 | C28 | C21 | 180.0° | 179.7° |
| O22 | C7 | C1 | N1 | 36.6° | 0.0° |
| O22 | C7 | C1 | H1 | 162.0° | 121.0° |
| O22 | C7 | N23 | HN23 | 176.0° | 179.9° |
| C7 | C1 | N1 | H1 | 119.1° | 121.0° |
| C7 | C1 | N1 | C4 | 126.4° | 120.9° |
| C7 | C1 | N1 | C14 | 59.4° | 59.4° |
| C1 | C7 | N23 | HN23 | 4.3° | 0.0° |
| C7 | C1 | C2 | H2 | 103.0° | 21.0° |
| C7 | C1 | C2 | H2A | 17.0° | 144.3° |
| C1 | N1 | C4 | C14 | 174.2° | 179.7° |
| C1 | N1 | C14 | O32 | 2.8° | 0.0° |
| C1 | N1 | C14 | C5 | 175.5° | 180.0° |
| N1 | C1 | C2 | H2 | 139.9° | 140.5° |
| N1 | C1 | C2 | H2A | 100.1° | 96.2° |
| C1 | N1 | C4 | H4 | 116.8° | 94.5° |
| C1 | N1 | C4 | H4A | 123.2° | 143.2° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.1° | 0.0° |
| C26 | C25 | C24 | H24 | 177.0° | 30.0° |
| C26 | C25 | C24 | H24A | 63.0° | 150.1° |
| C25 | C26 | C27 | H27 | 179.9° | 180.0° |
| C26 | C25 | C30 | H30 | 180.0° | 179.8° |
| C29 | C28 | C27 | C26 | 0.1° | 0.0° |
| C29 | C28 | C27 | C21 | 179.9° | 179.9° |
| C29 | C28 | C21 | N47 | 34.0° | 0.1° |
| C29 | C28 | C21 | N46 | 146.0° | 180.0° |
| C29 | C28 | C27 | H27 | 179.9° | 180.0° |
| C28 | C29 | C30 | H30 | 180.0° | 179.8° |
| C4 | N1 | C14 | O32 | 171.6° | 179.7° |
| C4 | N1 | C14 | C5 | 10.1° | 0.3° |
| C4 | N1 | C1 | H1 | 114.5° | 118.1° |
| N1 | C4 | C3 | H3 | 135.9° | 80.8° |
| N1 | C4 | C3 | H3A | 104.0° | 155.3° |
| N1 | C4 | H4 | H4A | 124.3° | 122.2° |
| N1 | C14 | O32 | C5 | 178.4° | 180.0° |
| N1 | C14 | C5 | C43 | 120.2° | 180.0° |
| C14 | N1 | C1 | H1 | 59.7° | 61.6° |
| C14 | N1 | C4 | H4 | 69.0° | 85.2° |
| C14 | N1 | C4 | H4A | 51.0° | 37.1° |
| N1 | C14 | C5 | H5 | 119.8° | 60.0° |
| N1 | C14 | C5 | H5A | 0.2° | 59.9° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C21 | 180.0° | 180.0° |
| C27 | C28 | C21 | N47 | 145.9° | 180.0° |
| C27 | C28 | C21 | N46 | 34.1° | 0.0° |
| C28 | C27 | C26 | H26 | 179.9° | 180.0° |
| C27 | C28 | C29 | H29 | 179.9° | 180.0° |
| C28 | C21 | N47 | N46 | 180.0° | 180.0° |
| C21 | C28 | C27 | H27 | 0.0° | 0.1° |
| C28 | C21 | N46 | HN46 | 180.0° | 179.9° |
| C28 | C21 | N47 | HN47 | 180.0° | 0.0° |
| C28 | C21 | N47 | HN4A | 0.0° | 180.0° |
| C21 | C28 | C29 | H29 | 0.0° | 0.0° |
| O32 | C14 | C5 | C43 | 61.4° | 0.0° |
| O32 | C14 | C5 | H5 | 58.6° | 120.0° |
| O32 | C14 | C5 | H5A | 178.6° | 120.1° |
| C14 | C5 | C43 | H5 | 120.0° | 120.0° |
| C14 | C5 | C43 | H5A | 120.0° | 120.1° |
| C14 | C5 | C43 | C44 | 58.9° | 180.0° |
| C14 | C5 | H5 | H5A | 119.8° | 120.0° |
| C14 | C5 | C43 | H43 | 61.1° | 60.0° |
| C14 | C5 | C43 | H43A | 178.9° | 60.0° |
| N47 | C21 | N46 | HN46 | 0.0° | 0.0° |
| C21 | N47 | HN47 | HN4A | 180.0° | 179.9° |
| N46 | C21 | N47 | HN47 | 0.0° | 180.0° |
| N46 | C21 | N47 | HN4A | 180.0° | 0.1° |
| C5 | C43 | C44 | C45 | 66.4° | 65.0° |
| C5 | C43 | C44 | H43 | 120.0° | 120.0° |
| C5 | C43 | C44 | H43A | 120.0° | 120.0° |
| C5 | C43 | C44 | C49 | 166.9° | 175.0° |
| C43 | C5 | H5 | H5A | 119.8° | 120.0° |
| C5 | C43 | H43 | H43A | 117.7° | 120.0° |
| C5 | C43 | C44 | H44 | 49.9° | 55.0° |
| C45 | C46 | C47 | H46 | 120.0° | 120.0° |
| C45 | C46 | C47 | H46A | 120.0° | 120.0° |
| C46 | C45 | C44 | H45 | 120.0° | 120.0° |
| C46 | C45 | C44 | H45A | 120.0° | 120.0° |
| C46 | C45 | C44 | C43 | 177.6° | 180.0° |
| C46 | C45 | C44 | C49 | 54.0° | 60.0° |
| C45 | C46 | C47 | C48 | 36.7° | 60.0° |
| C46 | C45 | C44 | H44 | 63.4° | 60.0° |
| C45 | C46 | C47 | H47 | 83.3° | 180.0° |
| C45 | C46 | C47 | H47A | 156.7° | 60.0° |
| C45 | C46 | H46 | H46A | 116.4° | 120.0° |
| C46 | C45 | H45 | H45A | 119.4° | 120.0° |
| C47 | C46 | C45 | C44 | 44.4° | 60.0° |
| C46 | C47 | C48 | H47 | 120.0° | 119.9° |
| C46 | C47 | C48 | H47A | 120.0° | 120.0° |
| C46 | C47 | C48 | C49 | 37.3° | 60.0° |
| C46 | C47 | C48 | H48 | 157.3° | 60.0° |
| C46 | C47 | C48 | H48A | 82.7° | 180.0° |
| C46 | C47 | H47 | H47A | 117.3° | 120.0° |
| C47 | C46 | H46 | H46A | 116.4° | 120.0° |
| C47 | C46 | C45 | H45 | 164.4° | 60.0° |
| C47 | C46 | C45 | H45A | 75.6° | 180.0° |
| C45 | C44 | C43 | C49 | 126.7° | 120.0° |
| C45 | C44 | C43 | H44 | 116.3° | 119.9° |
| C45 | C44 | C49 | H44 | 116.9° | 120.0° |
| C45 | C44 | C49 | C48 | 59.3° | 60.0° |
| C45 | C44 | C43 | H43 | 173.6° | 175.0° |
| C45 | C44 | C43 | H43A | 53.6° | 55.0° |
| C45 | C44 | C49 | H49 | 179.2° | 180.0° |
| C45 | C44 | C49 | H49A | 60.7° | 60.0° |
| C44 | C45 | C46 | H46 | 164.4° | 60.0° |
| C44 | C45 | C46 | H46A | 75.6° | 180.0° |
| C44 | C45 | H45 | H45A | 119.4° | 120.0° |
| C43 | C44 | C49 | H44 | 114.3° | 120.0° |
| C43 | C44 | C49 | C48 | 172.0° | 180.0° |
| C44 | C43 | C5 | H5 | 178.9° | 60.0° |
| C44 | C43 | C5 | H5A | 61.1° | 59.9° |
| C44 | C43 | H43 | H43A | 117.7° | 120.0° |
| C43 | C44 | C49 | H49 | 52.0° | 60.0° |
| C43 | C44 | C49 | H49A | 68.0° | 60.0° |
| C43 | C44 | C45 | H45 | 57.6° | 60.0° |
| C43 | C44 | C45 | H45A | 62.4° | 60.0° |
| C44 | C49 | C48 | C47 | 50.0° | 60.0° |
| C44 | C49 | C48 | H49 | 120.0° | 120.0° |
| C44 | C49 | C48 | H49A | 120.0° | 120.0° |
| C49 | C44 | C43 | H43 | 46.9° | 55.0° |
| C49 | C44 | C43 | H43A | 73.1° | 65.0° |
| C44 | C49 | H49 | H49A | 118.1° | 120.0° |
| C44 | C49 | C48 | H48 | 170.0° | 60.0° |
| C44 | C49 | C48 | H48A | 70.0° | 180.0° |
| C49 | C44 | C45 | H45 | 174.0° | 60.0° |
| C49 | C44 | C45 | H45A | 65.9° | 180.0° |
| C47 | C48 | C49 | H48 | 120.0° | 120.0° |
| C47 | C48 | C49 | H48A | 120.0° | 120.0° |
| C47 | C48 | C49 | H49 | 170.0° | 180.0° |
| C47 | C48 | C49 | H49A | 70.0° | 60.0° |
| C47 | C48 | H48 | H48A | 119.1° | 120.0° |
| C48 | C47 | H47 | H47A | 117.3° | 120.1° |
| C48 | C47 | C46 | H46 | 156.7° | 60.0° |
| C48 | C47 | C46 | H46A | 83.3° | 180.0° |
| C48 | C49 | C44 | H44 | 57.7° | 60.0° |
| C48 | C49 | H49 | H49A | 118.0° | 120.0° |
| C49 | C48 | H48 | H48A | 119.0° | 120.0° |
| C49 | C48 | C47 | H47 | 82.7° | 180.0° |
| C49 | C48 | C47 | H47A | 157.3° | 60.0° |
| H1 | C1 | C2 | H2 | 15.9° | 100.1° |
| H1 | C1 | C2 | H2A | 135.9° | 23.2° |
| HN23 | N23 | C24 | H24 | 55.2° | 120.0° |
| HN23 | N23 | C24 | H24A | 175.2° | 120.0° |
| H26 | C26 | C27 | H27 | 0.1° | 0.1° |
| H29 | C29 | C30 | H30 | 0.0° | 0.1° |
| H2 | C2 | C3 | H3 | 96.2° | 35.6° |
| H2 | C2 | C3 | H3A | 23.8° | 88.2° |
| H2A | C2 | C3 | H3 | 23.8° | 158.9° |
| H2A | C2 | C3 | H3A | 143.8° | 35.1° |
| H3 | C3 | C4 | H4 | 15.9° | 160.1° |
| H3 | C3 | C4 | H4A | 104.1° | 37.8° |
| H3A | C3 | C4 | H4 | 136.0° | 36.1° |
| H3A | C3 | C4 | H4A | 16.0° | 86.2° |
| H5 | C5 | C43 | H43 | 58.9° | 180.0° |
| H5 | C5 | C43 | H43A | 61.0° | 60.0° |
| H5A | C5 | C43 | H43 | 178.9° | 60.1° |
| H5A | C5 | C43 | H43A | 58.9° | 179.9° |
| H43 | C43 | C44 | H44 | 70.1° | 65.0° |
| H43A | C43 | C44 | H44 | 169.9° | 175.0° |
| H44 | C44 | C49 | H49 | 62.3° | 60.0° |
| H44 | C44 | C49 | H49A | 177.7° | 180.0° |
| H44 | C44 | C45 | H45 | 56.6° | 180.0° |
| H44 | C44 | C45 | H45A | 176.6° | 60.0° |
| H49 | C49 | C48 | H48 | 70.0° | 60.0° |
| H49 | C49 | C48 | H48A | 50.0° | 60.0° |
| H49A | C49 | C48 | H48 | 50.0° | 180.0° |
| H49A | C49 | C48 | H48A | 170.0° | 60.0° |
| H48 | C48 | C47 | H47 | 37.3° | 60.0° |
| H48 | C48 | C47 | H47A | 82.7° | 180.0° |
| H48A | C48 | C47 | H47 | 157.3° | 60.1° |
| H48A | C48 | C47 | H47A | 37.3° | 60.0° |
| H47 | C47 | C46 | H46 | 36.7° | 60.0° |
| H47 | C47 | C46 | H46A | 156.7° | 60.0° |
| H47A | C47 | C46 | H46 | 83.3° | 180.0° |
| H47A | C47 | C46 | H46A | 36.7° | 60.0° |
| H46 | C46 | C45 | H45 | 75.6° | 180.0° |
| H46 | C46 | C45 | H45A | 44.4° | 60.0° |
| H46A | C46 | C45 | H45 | 44.4° | 60.0° |
| H46A | C46 | C45 | H45A | 164.4° | 60.0° |
