DBO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C3 | sing | 1.46Å | 1.50Å | |
| N1 | C45 | sing | 1.35Å | 1.40Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | C31 | sing | 1.53Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | O7 | sing | 1.43Å | 1.37Å | |
| C5 | C9 | sing | 1.53Å | 1.50Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C9 | N12 | sing | 1.47Å | 1.45Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| N12 | C14 | sing | 1.47Å | 1.48Å | |
| N12 | H12 | sing | 1.01Å | 1.00Å | |
| C14 | C17 | sing | 1.51Å | 1.56Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | doub | 1.38Å | 1.53Å | Aromatic |
| C17 | C25 | sing | 1.38Å | 1.52Å | Aromatic |
| C18 | C20 | sing | 1.38Å | 1.52Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | doub | 1.38Å | 1.53Å | Aromatic |
| C20 | C27 | sing | 1.51Å | 1.55Å | |
| C21 | C23 | sing | 1.38Å | 1.54Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | C25 | doub | 1.38Å | 1.52Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C31 | C34 | sing | 1.51Å | 1.54Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | doub | 1.38Å | 1.50Å | Aromatic |
| C34 | C43 | sing | 1.38Å | 1.53Å | Aromatic |
| C35 | C37 | sing | 1.38Å | 1.52Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | C39 | doub | 1.38Å | 1.51Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C39 | C41 | sing | 1.38Å | 1.50Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C41 | C43 | doub | 1.38Å | 1.47Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C45 | O46 | doub | 1.21Å | 1.26Å | |
| C45 | C47 | sing | 1.47Å | 1.45Å | |
| C47 | C48 | doub | 1.30Å | 1.40Å | |
| C47 | C62 | sing | 1.47Å | 1.62Å | |
| C48 | C50 | sing | 1.47Å | 1.50Å | |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| C50 | C51 | doub | 1.31Å | 1.54Å | Aromatic |
| C50 | C58 | sing | 1.48Å | 1.45Å | Aromatic |
| C51 | C52 | sing | 1.48Å | 1.47Å | Aromatic |
| C51 | O60 | sing | 1.35Å | 1.42Å | |
| C52 | C54 | doub | 1.31Å | 1.47Å | Aromatic |
| C52 | H52 | sing | 1.08Å | 1.08Å | |
| C54 | C56 | sing | 1.47Å | 1.51Å | Aromatic |
| C54 | H54 | sing | 1.08Å | 1.08Å | |
| C56 | C58 | doub | 1.31Å | 1.49Å | Aromatic |
| C56 | H56 | sing | 1.08Å | 1.08Å | |
| C58 | H58 | sing | 1.08Å | 1.08Å | |
| O60 | C61 | sing | 1.35Å | 1.38Å | |
| C61 | C62 | doub | 1.31Å | 1.54Å | Aromatic |
| C61 | C69 | sing | 1.48Å | 1.50Å | Aromatic |
| C62 | C63 | sing | 1.47Å | 1.51Å | Aromatic |
| C63 | C65 | doub | 1.31Å | 1.53Å | Aromatic |
| C63 | H63 | sing | 1.08Å | 1.08Å | |
| C65 | C67 | sing | 1.47Å | 1.51Å | Aromatic |
| C65 | H65 | sing | 1.08Å | 1.08Å | |
| C67 | C69 | doub | 1.31Å | 1.50Å | Aromatic |
| C67 | H67 | sing | 1.08Å | 1.08Å | |
| C69 | H69 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N1 | C45 | 126.2° | 120.0° |
| C3 | N1 | HN1 | 116.9° | 120.0° |
| N1 | C3 | C5 | 112.5° | 109.5° |
| N1 | C3 | C31 | 104.6° | 109.5° |
| N1 | C3 | H3 | 112.6° | 109.5° |
| C45 | N1 | HN1 | 116.9° | 120.1° |
| N1 | C45 | O46 | 123.8° | 120.0° |
| N1 | C45 | C47 | 120.7° | 120.0° |
| C5 | C3 | C31 | 114.3° | 109.5° |
| C5 | C3 | H3 | 102.5° | 109.4° |
| C3 | C5 | O7 | 110.6° | 109.4° |
| C3 | C5 | C9 | 112.4° | 109.5° |
| C3 | C5 | H5 | 105.8° | 109.5° |
| C31 | C3 | H3 | 110.7° | 109.4° |
| C3 | C31 | C34 | 115.0° | 109.5° |
| C3 | C31 | H311 | 106.4° | 109.5° |
| C3 | C31 | H312 | 107.6° | 109.5° |
| O7 | C5 | C9 | 106.4° | 109.5° |
| O7 | C5 | H5 | 111.8° | 109.4° |
| C5 | O7 | HO7 | 109.5° | 106.8° |
| C9 | C5 | H5 | 110.0° | 109.5° |
| C5 | C9 | N12 | 111.9° | 109.5° |
| C5 | C9 | H91 | 108.2° | 109.5° |
| C5 | C9 | H92 | 108.6° | 109.5° |
| N12 | C9 | H91 | 108.1° | 109.5° |
| N12 | C9 | H92 | 108.7° | 109.5° |
| C9 | N12 | C14 | 117.6° | 106.7° |
| C9 | N12 | H12 | 106.8° | 106.7° |
| H91 | C9 | H92 | 111.4° | 109.5° |
| C14 | N12 | H12 | 106.8° | 106.7° |
| N12 | C14 | C17 | 117.5° | 109.4° |
| N12 | C14 | H141 | 105.0° | 109.5° |
| N12 | C14 | H142 | 106.9° | 109.4° |
| C17 | C14 | H141 | 105.1° | 109.5° |
| C17 | C14 | H142 | 106.9° | 109.5° |
| C14 | C17 | C18 | 123.4° | 120.0° |
| C14 | C17 | C25 | 117.7° | 120.0° |
| H141 | C14 | H142 | 116.0° | 109.5° |
| C18 | C17 | C25 | 118.9° | 120.0° |
| C17 | C18 | C20 | 121.7° | 120.0° |
| C17 | C18 | H18 | 119.2° | 120.0° |
| C17 | C25 | C23 | 120.5° | 120.0° |
| C17 | C25 | H25 | 119.8° | 120.0° |
| C20 | C18 | H18 | 119.2° | 120.0° |
| C18 | C20 | C21 | 118.7° | 120.0° |
| C18 | C20 | C27 | 119.7° | 120.0° |
| C21 | C20 | C27 | 121.6° | 120.0° |
| C20 | C21 | C23 | 120.1° | 120.0° |
| C20 | C21 | H21 | 119.9° | 120.0° |
| C20 | C27 | H271 | 109.5° | 109.5° |
| C20 | C27 | H272 | 109.4° | 109.5° |
| C20 | C27 | H273 | 109.5° | 109.5° |
| C23 | C21 | H21 | 120.0° | 120.0° |
| C21 | C23 | C25 | 120.1° | 120.0° |
| C21 | C23 | H23 | 119.9° | 120.0° |
| C25 | C23 | H23 | 119.9° | 120.0° |
| C23 | C25 | H25 | 119.8° | 120.0° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.4° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.4° |
| C34 | C31 | H311 | 106.4° | 109.4° |
| C34 | C31 | H312 | 107.7° | 109.4° |
| C31 | C34 | C35 | 118.9° | 120.0° |
| C31 | C34 | C43 | 122.7° | 120.0° |
| H311 | C31 | H312 | 113.9° | 109.5° |
| C35 | C34 | C43 | 118.4° | 120.0° |
| C34 | C35 | C37 | 120.9° | 120.0° |
| C34 | C35 | H35 | 119.6° | 120.0° |
| C34 | C43 | C41 | 121.0° | 120.0° |
| C34 | C43 | H43 | 119.5° | 120.0° |
| C37 | C35 | H35 | 119.6° | 120.0° |
| C35 | C37 | C39 | 118.8° | 120.0° |
| C35 | C37 | H37 | 120.6° | 120.0° |
| C39 | C37 | H37 | 120.6° | 120.0° |
| C37 | C39 | C41 | 120.2° | 120.0° |
| C37 | C39 | H39 | 119.9° | 120.0° |
| C41 | C39 | H39 | 119.9° | 120.0° |
| C39 | C41 | C43 | 120.6° | 120.0° |
| C39 | C41 | H41 | 119.7° | 120.0° |
| C43 | C41 | H41 | 119.7° | 120.0° |
| C41 | C43 | H43 | 119.5° | 120.0° |
| O46 | C45 | C47 | 115.5° | 120.0° |
| C45 | C47 | C48 | 116.9° | 118.1° |
| C45 | C47 | C62 | 119.3° | 118.1° |
| C48 | C47 | C62 | 123.8° | 123.9° |
| C47 | C48 | C50 | 126.8° | 123.7° |
| C47 | C48 | H48 | 116.6° | 118.2° |
| C47 | C62 | C61 | 120.5° | 120.9° |
| C47 | C62 | C63 | 123.4° | 118.9° |
| C50 | C48 | H48 | 116.6° | 118.1° |
| C48 | C50 | C51 | 121.4° | 121.1° |
| C48 | C50 | C58 | 118.4° | 118.8° |
| C51 | C50 | C58 | 120.3° | 120.1° |
| C50 | C51 | C52 | 120.5° | 119.5° |
| C50 | C51 | O60 | 120.4° | 122.1° |
| C50 | C58 | C56 | 118.7° | 120.3° |
| C50 | C58 | H58 | 120.6° | 119.8° |
| C52 | C51 | O60 | 119.1° | 118.4° |
| C51 | C52 | C54 | 119.2° | 120.4° |
| C51 | C52 | H52 | 120.4° | 119.8° |
| C51 | O60 | C61 | 116.9° | 111.0° |
| C54 | C52 | H52 | 120.4° | 119.8° |
| C52 | C54 | C56 | 120.5° | 119.9° |
| C52 | C54 | H54 | 119.7° | 120.0° |
| C56 | C54 | H54 | 119.7° | 120.1° |
| C54 | C56 | C58 | 120.8° | 119.7° |
| C54 | C56 | H56 | 119.6° | 120.2° |
| C58 | C56 | H56 | 119.6° | 120.1° |
| C56 | C58 | H58 | 120.6° | 119.9° |
| O60 | C61 | C62 | 119.9° | 122.1° |
| O60 | C61 | C69 | 117.0° | 118.5° |
| C62 | C61 | C69 | 123.0° | 119.4° |
| C61 | C62 | C63 | 116.1° | 120.1° |
| C61 | C69 | C67 | 119.9° | 120.5° |
| C61 | C69 | H69 | 120.0° | 119.8° |
| C62 | C63 | C65 | 121.4° | 120.4° |
| C62 | C63 | H63 | 119.3° | 119.8° |
| C65 | C63 | H63 | 119.3° | 119.8° |
| C63 | C65 | C67 | 120.8° | 119.7° |
| C63 | C65 | H65 | 119.6° | 120.2° |
| C67 | C65 | H65 | 119.6° | 120.1° |
| C65 | C67 | C69 | 118.8° | 119.9° |
| C65 | C67 | H67 | 120.5° | 120.1° |
| C69 | C67 | H67 | 120.6° | 120.1° |
| C67 | C69 | H69 | 120.0° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | N1 | C45 | HN1 | 180.0° | 179.9° |
| N1 | C3 | C5 | C31 | 119.0° | 120.0° |
| N1 | C3 | C5 | H3 | 121.2° | 120.0° |
| N1 | C3 | C31 | H3 | 121.5° | 120.0° |
| N1 | C3 | C5 | O7 | 179.6° | 65.0° |
| N1 | C3 | C5 | C9 | 61.6° | 175.0° |
| N1 | C3 | C5 | H5 | 58.4° | 54.9° |
| N1 | C3 | C31 | C34 | 57.5° | 65.0° |
| N1 | C3 | C31 | H311 | 175.0° | 55.0° |
| N1 | C3 | C31 | H312 | 62.5° | 175.0° |
| C3 | N1 | C45 | O46 | 0.0° | 4.7° |
| C3 | N1 | C45 | C47 | 179.9° | 175.3° |
| C45 | N1 | C3 | C5 | 100.5° | 154.9° |
| C45 | N1 | C3 | C31 | 134.9° | 85.0° |
| C45 | N1 | C3 | H3 | 14.7° | 35.0° |
| N1 | C45 | O46 | C47 | 179.9° | 180.0° |
| N1 | C45 | C47 | C48 | 125.8° | 173.3° |
| N1 | C45 | C47 | C62 | 54.6° | 6.9° |
| HN1 | N1 | C3 | C5 | 79.5° | 25.0° |
| HN1 | N1 | C3 | C31 | 45.1° | 95.1° |
| HN1 | N1 | C3 | H3 | 165.3° | 145.0° |
| HN1 | N1 | C45 | O46 | 180.0° | 175.3° |
| HN1 | N1 | C45 | C47 | 0.1° | 4.7° |
| C5 | C3 | C31 | H3 | 115.1° | 119.9° |
| C3 | C5 | O7 | C9 | 122.3° | 120.0° |
| C3 | C5 | O7 | H5 | 117.6° | 120.0° |
| C3 | C5 | C9 | H5 | 117.6° | 120.1° |
| C3 | C5 | O7 | HO7 | 36.0° | 60.0° |
| C3 | C5 | C9 | N12 | 179.4° | 175.0° |
| C3 | C5 | C9 | H91 | 60.4° | 65.0° |
| C3 | C5 | C9 | H92 | 60.6° | 55.0° |
| C5 | C3 | C31 | C34 | 179.2° | 175.0° |
| C5 | C3 | C31 | H311 | 61.7° | 65.0° |
| C5 | C3 | C31 | H312 | 60.8° | 55.0° |
| C31 | C3 | C5 | O7 | 60.6° | 55.0° |
| C31 | C3 | C5 | C9 | 179.4° | 65.0° |
| C31 | C3 | C5 | H5 | 60.6° | 175.0° |
| C3 | C31 | C34 | H311 | 117.5° | 120.0° |
| C3 | C31 | C34 | H312 | 120.0° | 120.0° |
| C3 | C31 | H311 | H312 | 118.4° | 120.0° |
| C3 | C31 | C34 | C35 | 136.8° | 90.0° |
| C3 | C31 | C34 | C43 | 43.4° | 90.3° |
| H3 | C3 | C5 | O7 | 59.3° | 175.0° |
| H3 | C3 | C5 | C9 | 59.5° | 55.0° |
| H3 | C3 | C5 | H5 | 179.6° | 65.1° |
| H3 | C3 | C31 | C34 | 64.1° | 55.0° |
| H3 | C3 | C31 | H311 | 53.4° | 175.0° |
| H3 | C3 | C31 | H312 | 175.9° | 65.0° |
| O7 | C5 | C9 | H5 | 121.2° | 120.0° |
| O7 | C5 | C9 | N12 | 58.2° | 65.0° |
| O7 | C5 | C9 | H91 | 60.8° | 55.0° |
| O7 | C5 | C9 | H92 | 178.2° | 175.0° |
| C9 | C5 | O7 | HO7 | 158.4° | 60.0° |
| C5 | C9 | N12 | H91 | 119.0° | 120.0° |
| C5 | C9 | N12 | H92 | 120.0° | 120.0° |
| C5 | C9 | H91 | H92 | 119.3° | 120.0° |
| C5 | C9 | N12 | C14 | 149.2° | 180.0° |
| C5 | C9 | N12 | H12 | 29.2° | 66.2° |
| H5 | C5 | O7 | HO7 | 81.6° | 180.0° |
| H5 | C5 | C9 | N12 | 63.1° | 55.0° |
| H5 | C5 | C9 | H91 | 178.0° | 175.0° |
| H5 | C5 | C9 | H92 | 56.9° | 65.0° |
| N12 | C9 | H91 | H92 | 119.4° | 120.0° |
| C9 | N12 | C14 | H12 | 120.0° | 113.7° |
| C9 | N12 | C14 | C17 | 43.6° | 180.0° |
| C9 | N12 | C14 | H141 | 72.6° | 60.0° |
| C9 | N12 | C14 | H142 | 163.7° | 60.0° |
| H91 | C9 | N12 | C14 | 30.3° | 60.0° |
| H91 | C9 | N12 | H12 | 89.7° | 173.8° |
| H92 | C9 | N12 | C14 | 90.8° | 60.0° |
| H92 | C9 | N12 | H12 | 149.2° | 53.8° |
| N12 | C14 | C17 | H141 | 116.2° | 120.0° |
| N12 | C14 | C17 | H142 | 120.0° | 120.0° |
| N12 | C14 | H141 | H142 | 117.7° | 120.0° |
| N12 | C14 | C17 | C18 | 62.7° | 89.8° |
| N12 | C14 | C17 | C25 | 117.4° | 90.0° |
| H12 | N12 | C14 | C17 | 76.4° | 66.2° |
| H12 | N12 | C14 | H141 | 167.4° | 173.8° |
| H12 | N12 | C14 | H142 | 43.7° | 53.7° |
| C17 | C14 | H141 | H142 | 117.8° | 120.0° |
| C14 | C17 | C18 | C25 | 179.9° | 179.9° |
| C14 | C17 | C18 | C20 | 179.9° | 179.7° |
| C14 | C17 | C18 | H18 | 0.1° | 0.1° |
| C14 | C17 | C25 | C23 | 179.9° | 179.9° |
| C14 | C17 | C25 | H25 | 0.1° | 0.0° |
| H141 | C14 | C17 | C18 | 178.9° | 30.2° |
| H141 | C14 | C17 | C25 | 1.2° | 150.0° |
| H142 | C14 | C17 | C18 | 57.3° | 150.2° |
| H142 | C14 | C17 | C25 | 122.6° | 29.9° |
| C17 | C18 | C20 | H18 | 180.0° | 179.5° |
| C17 | C18 | C20 | C21 | 0.0° | 0.5° |
| C17 | C18 | C20 | C27 | 180.0° | 179.8° |
| C18 | C17 | C25 | C23 | 0.0° | 0.2° |
| C18 | C17 | C25 | H25 | 180.0° | 179.8° |
| C25 | C17 | C18 | C20 | 0.0° | 0.5° |
| C25 | C17 | C18 | H18 | 180.0° | 180.0° |
| C17 | C25 | C23 | C21 | 0.1° | 0.0° |
| C17 | C25 | C23 | H25 | 180.0° | 179.9° |
| C17 | C25 | C23 | H23 | 179.9° | 180.0° |
| C18 | C20 | C21 | C27 | 179.9° | 179.7° |
| C18 | C20 | C21 | C23 | 0.1° | 0.3° |
| C18 | C20 | C21 | H21 | 179.9° | 179.7° |
| C18 | C20 | C27 | H271 | 165.2° | 90.3° |
| C18 | C20 | C27 | H272 | 45.1° | 29.7° |
| C18 | C20 | C27 | H273 | 74.9° | 149.7° |
| H18 | C18 | C20 | C21 | 179.9° | 179.9° |
| H18 | C18 | C20 | C27 | 0.0° | 0.3° |
| C20 | C21 | C23 | H21 | 180.0° | 179.9° |
| C20 | C21 | C23 | C25 | 0.1° | 0.1° |
| C20 | C21 | C23 | H23 | 179.9° | 180.0° |
| C21 | C20 | C27 | H271 | 14.8° | 90.0° |
| C21 | C20 | C27 | H272 | 134.8° | 150.0° |
| C21 | C20 | C27 | H273 | 105.2° | 30.0° |
| C27 | C20 | C21 | C23 | 180.0° | 180.0° |
| C27 | C20 | C21 | H21 | 0.0° | 0.1° |
| C20 | C27 | H271 | H272 | 120.0° | 120.0° |
| C20 | C27 | H271 | H273 | 120.0° | 120.0° |
| C20 | C27 | H272 | H273 | 120.0° | 120.0° |
| C21 | C23 | C25 | H23 | 180.0° | 179.9° |
| C21 | C23 | C25 | H25 | 179.9° | 180.0° |
| H21 | C21 | C23 | C25 | 179.9° | 180.0° |
| H21 | C21 | C23 | H23 | 0.1° | 0.1° |
| H23 | C23 | C25 | H25 | 0.1° | 0.1° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
| C34 | C31 | H311 | H312 | 118.5° | 119.9° |
| C31 | C34 | C35 | C43 | 179.8° | 179.8° |
| C31 | C34 | C35 | C37 | 179.9° | 179.9° |
| C31 | C34 | C35 | H35 | 0.1° | 0.0° |
| C31 | C34 | C43 | C41 | 179.9° | 179.8° |
| C31 | C34 | C43 | H43 | 0.1° | 0.2° |
| H311 | C31 | C34 | C35 | 105.7° | 30.1° |
| H311 | C31 | C34 | C43 | 74.1° | 149.7° |
| H312 | C31 | C34 | C35 | 16.8° | 150.0° |
| H312 | C31 | C34 | C43 | 163.3° | 29.8° |
| C34 | C35 | C37 | H35 | 180.0° | 179.9° |
| C34 | C35 | C37 | C39 | 0.0° | 0.0° |
| C34 | C35 | C37 | H37 | 180.0° | 179.9° |
| C35 | C34 | C43 | C41 | 0.0° | 0.5° |
| C35 | C34 | C43 | H43 | 179.9° | 180.0° |
| C43 | C34 | C35 | C37 | 0.0° | 0.3° |
| C43 | C34 | C35 | H35 | 180.0° | 179.8° |
| C34 | C43 | C41 | C39 | 0.0° | 0.4° |
| C34 | C43 | C41 | H43 | 180.0° | 179.6° |
| C34 | C43 | C41 | H41 | 180.0° | 179.7° |
| C35 | C37 | C39 | H37 | 180.0° | 180.0° |
| C35 | C37 | C39 | C41 | 0.0° | 0.0° |
| C35 | C37 | C39 | H39 | 180.0° | 179.9° |
| H35 | C35 | C37 | C39 | 180.0° | 180.0° |
| H35 | C35 | C37 | H37 | 0.0° | 0.0° |
| C37 | C39 | C41 | H39 | 180.0° | 179.9° |
| C37 | C39 | C41 | C43 | 0.0° | 0.2° |
| C37 | C39 | C41 | H41 | 180.0° | 179.9° |
| H37 | C37 | C39 | C41 | 180.0° | 180.0° |
| H37 | C37 | C39 | H39 | 0.0° | 0.0° |
| C39 | C41 | C43 | H41 | 180.0° | 179.9° |
| C39 | C41 | C43 | H43 | 180.0° | 180.0° |
| H39 | C39 | C41 | C43 | 180.0° | 179.9° |
| H39 | C39 | C41 | H41 | 0.0° | 0.0° |
| H41 | C41 | C43 | H43 | 0.1° | 0.1° |
| O46 | C45 | C47 | C48 | 54.3° | 6.7° |
| O46 | C45 | C47 | C62 | 125.3° | 173.1° |
| C45 | C47 | C48 | C62 | 179.5° | 179.8° |
| C45 | C47 | C48 | C50 | 179.6° | 179.9° |
| C45 | C47 | C48 | H48 | 0.4° | 0.1° |
| C45 | C47 | C62 | C61 | 143.6° | 141.2° |
| C45 | C47 | C62 | C63 | 36.6° | 38.6° |
| C47 | C48 | C50 | H48 | 180.0° | 180.0° |
| C47 | C48 | C50 | C51 | 36.1° | 38.6° |
| C47 | C48 | C50 | C58 | 144.0° | 141.6° |
| C48 | C47 | C62 | C61 | 36.8° | 39.0° |
| C48 | C47 | C62 | C63 | 142.9° | 141.2° |
| C62 | C47 | C48 | C50 | 0.0° | 0.1° |
| C62 | C47 | C48 | H48 | 179.9° | 179.9° |
| C47 | C62 | C61 | O60 | 0.3° | 0.3° |
| C47 | C62 | C61 | C63 | 179.8° | 179.8° |
| C47 | C62 | C61 | C69 | 179.7° | 179.7° |
| C47 | C62 | C63 | C65 | 179.8° | 179.8° |
| C47 | C62 | C63 | H63 | 0.2° | 0.0° |
| C48 | C50 | C51 | C58 | 179.9° | 179.8° |
| C48 | C50 | C51 | C52 | 180.0° | 179.5° |
| C48 | C50 | C51 | O60 | 0.2° | 1.0° |
| C48 | C50 | C58 | C56 | 179.9° | 179.7° |
| C48 | C50 | C58 | H58 | 0.1° | 0.2° |
| H48 | C48 | C50 | C51 | 143.9° | 141.4° |
| H48 | C48 | C50 | C58 | 36.0° | 38.4° |
| C50 | C51 | C52 | O60 | 179.8° | 179.6° |
| C50 | C51 | C52 | C54 | 0.0° | 0.5° |
| C50 | C51 | C52 | H52 | 179.9° | 179.6° |
| C51 | C50 | C58 | C56 | 0.1° | 0.5° |
| C51 | C50 | C58 | H58 | 179.9° | 179.6° |
| C50 | C51 | O60 | C61 | 69.5° | 69.6° |
| C58 | C50 | C51 | C52 | 0.1° | 0.7° |
| C58 | C50 | C51 | O60 | 179.7° | 178.8° |
| C50 | C58 | C56 | C54 | 0.0° | 0.0° |
| C50 | C58 | C56 | H58 | 180.0° | 180.0° |
| C50 | C58 | C56 | H56 | 180.0° | 179.9° |
| C51 | C52 | C54 | H52 | 180.0° | 179.9° |
| C51 | C52 | C54 | C56 | 0.0° | 0.1° |
| C51 | C52 | C54 | H54 | 180.0° | 179.9° |
| C52 | C51 | O60 | C61 | 110.7° | 110.9° |
| O60 | C51 | C52 | C54 | 179.7° | 179.0° |
| O60 | C51 | C52 | H52 | 0.3° | 0.9° |
| C51 | O60 | C61 | C62 | 68.4° | 69.1° |
| C51 | O60 | C61 | C69 | 111.7° | 110.9° |
| C52 | C54 | C56 | H54 | 180.0° | 180.0° |
| C52 | C54 | C56 | C58 | 0.0° | 0.1° |
| C52 | C54 | C56 | H56 | 180.0° | 179.8° |
| H52 | C52 | C54 | C56 | 180.0° | 180.0° |
| H52 | C52 | C54 | H54 | 0.0° | 0.0° |
| C54 | C56 | C58 | H56 | 180.0° | 179.9° |
| C54 | C56 | C58 | H58 | 180.0° | 180.0° |
| H54 | C54 | C56 | C58 | 180.0° | 179.8° |
| H54 | C54 | C56 | H56 | 0.0° | 0.3° |
| H56 | C56 | C58 | H58 | 0.0° | 0.1° |
| O60 | C61 | C62 | C69 | 179.9° | 180.0° |
| O60 | C61 | C62 | C63 | 179.9° | 179.5° |
| O60 | C61 | C69 | C67 | 179.9° | 179.6° |
| O60 | C61 | C69 | H69 | 0.1° | 0.4° |
| C61 | C62 | C63 | C65 | 0.0° | 0.4° |
| C61 | C62 | C63 | H63 | 180.0° | 179.8° |
| C62 | C61 | C69 | C67 | 0.1° | 0.3° |
| C62 | C61 | C69 | H69 | 179.9° | 179.6° |
| C69 | C61 | C62 | C63 | 0.0° | 0.5° |
| C61 | C69 | C67 | C65 | 0.1° | 0.0° |
| C61 | C69 | C67 | H69 | 180.0° | 179.9° |
| C61 | C69 | C67 | H67 | 179.9° | 179.9° |
| C62 | C63 | C65 | H63 | 180.0° | 179.8° |
| C62 | C63 | C65 | C67 | 0.0° | 0.1° |
| C62 | C63 | C65 | H65 | 180.0° | 180.0° |
| C63 | C65 | C67 | H65 | 180.0° | 179.9° |
| C63 | C65 | C67 | C69 | 0.0° | 0.1° |
| C63 | C65 | C67 | H67 | 180.0° | 180.0° |
| H63 | C63 | C65 | C67 | 180.0° | 179.9° |
| H63 | C63 | C65 | H65 | 0.0° | 0.1° |
| C65 | C67 | C69 | H67 | 180.0° | 179.9° |
| C65 | C67 | C69 | H69 | 180.0° | 179.9° |
| H65 | C65 | C67 | C69 | 180.0° | 179.9° |
| H65 | C65 | C67 | H67 | 0.0° | 0.0° |
| H67 | C67 | C69 | H69 | 0.0° | 0.2° |
