BAV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.48Å | 1.45Å | |
| N1 | C38 | sing | 1.37Å | 1.39Å | |
| N1 | C81 | sing | 1.48Å | 1.49Å | |
| C2 | C4 | sing | 1.51Å | 1.50Å | |
| C2 | C77 | sing | 1.53Å | 1.57Å | |
| C4 | N5 | sing | 1.36Å | 1.36Å | |
| C4 | O76 | doub | 1.22Å | 1.21Å | |
| N5 | C7 | sing | 1.48Å | 1.47Å | |
| C7 | C9 | sing | 1.52Å | 1.55Å | |
| C7 | C44 | sing | 1.52Å | 1.55Å | |
| C9 | C12 | sing | 1.53Å | 1.58Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| C12 | C40 | sing | 1.53Å | 1.60Å | |
| C14 | C17 | sing | 1.52Å | 1.55Å | |
| C17 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | C23 | sing | 1.53Å | 1.55Å | |
| C23 | C26 | sing | 1.53Å | 1.57Å | |
| C26 | C29 | sing | 1.53Å | 1.56Å | |
| C29 | C32 | sing | 1.53Å | 1.57Å | |
| C32 | C35 | sing | 1.53Å | 1.59Å | |
| C35 | C38 | sing | 1.51Å | 1.55Å | |
| C38 | O39 | doub | 1.21Å | 1.23Å | |
| C44 | O46 | sing | 1.43Å | 1.43Å | |
| C44 | C48 | sing | 1.53Å | 1.54Å | |
| C48 | N51 | sing | 1.47Å | 1.49Å | |
| N51 | C53 | sing | 1.47Å | 1.50Å | |
| C53 | C56 | sing | 1.51Å | 1.57Å | |
| C56 | C57 | doub | 1.38Å | 1.41Å | Aromatic |
| C56 | C64 | sing | 1.38Å | 1.41Å | Aromatic |
| C57 | C59 | sing | 1.38Å | 1.42Å | Aromatic |
| C59 | C60 | doub | 1.38Å | 1.40Å | Aromatic |
| C59 | C66 | sing | 1.51Å | 1.50Å | |
| C60 | C62 | sing | 1.38Å | 1.40Å | Aromatic |
| C62 | C64 | doub | 1.38Å | 1.42Å | Aromatic |
| C66 | C68 | sing | 1.53Å | 1.54Å | |
| C66 | C72 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.11Å | 1.10Å | |
| N5 | HN5 | sing | 0.98Å | 1.00Å | |
| C7 | H7 | sing | 1.11Å | 1.10Å | |
| C9 | H9 | sing | 1.10Å | 1.10Å | |
| C9 | H9A | sing | 1.10Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C17 | H17A | sing | 1.10Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C40 | H40B | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| O46 | HO46 | sing | 0.97Å | 0.95Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H48A | sing | 1.09Å | 1.10Å | |
| N51 | HN51 | sing | 1.01Å | 1.00Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C53 | H53A | sing | 1.09Å | 1.10Å | |
| C57 | H57 | sing | 1.08Å | 1.08Å | |
| C60 | H60 | sing | 1.08Å | 1.08Å | |
| C62 | H62 | sing | 1.08Å | 1.08Å | |
| C64 | H64 | sing | 1.08Å | 1.08Å | |
| C66 | H66 | sing | 1.09Å | 1.10Å | |
| C68 | H68 | sing | 1.09Å | 1.10Å | |
| C68 | H68A | sing | 1.09Å | 1.10Å | |
| C68 | H68B | sing | 1.09Å | 1.10Å | |
| C72 | H72 | sing | 1.09Å | 1.10Å | |
| C72 | H72A | sing | 1.09Å | 1.10Å | |
| C72 | H72B | sing | 1.09Å | 1.10Å | |
| C77 | H77 | sing | 1.09Å | 1.10Å | |
| C77 | H77A | sing | 1.09Å | 1.10Å | |
| C77 | H77B | sing | 1.09Å | 1.10Å | |
| C81 | H81 | sing | 1.09Å | 1.10Å | |
| C81 | H81A | sing | 1.09Å | 1.10Å | |
| C81 | H81B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C38 | 118.3° | 119.0° |
| C2 | N1 | C81 | 121.3° | 119.9° |
| N1 | C2 | C4 | 108.3° | 110.9° |
| N1 | C2 | C77 | 112.3° | 112.3° |
| N1 | C2 | H2 | 109.2° | 107.6° |
| C38 | N1 | C81 | 120.4° | 121.0° |
| N1 | C38 | C35 | 119.5° | 117.9° |
| N1 | C38 | O39 | 122.4° | 123.5° |
| N1 | C81 | H81 | 109.5° | 109.5° |
| N1 | C81 | H81A | 109.5° | 109.4° |
| N1 | C81 | H81B | 109.4° | 109.5° |
| C4 | C2 | C77 | 111.8° | 111.1° |
| C2 | C4 | N5 | 117.4° | 120.4° |
| C2 | C4 | O76 | 119.0° | 118.6° |
| C4 | C2 | H2 | 109.7° | 107.3° |
| C77 | C2 | H2 | 105.5° | 107.4° |
| C2 | C77 | H77 | 109.5° | 109.5° |
| C2 | C77 | H77A | 109.4° | 109.5° |
| C2 | C77 | H77B | 109.5° | 109.5° |
| N5 | C4 | O76 | 123.6° | 121.0° |
| C4 | N5 | C7 | 120.1° | 118.9° |
| C4 | N5 | HN5 | 119.9° | 120.9° |
| N5 | C7 | C9 | 105.6° | 109.5° |
| N5 | C7 | C44 | 111.2° | 112.1° |
| C7 | N5 | HN5 | 120.0° | 120.1° |
| N5 | C7 | H7 | 110.5° | 107.7° |
| C9 | C7 | C44 | 108.0° | 111.7° |
| C7 | C9 | C12 | 110.8° | 114.1° |
| C9 | C7 | H7 | 113.5° | 107.9° |
| C7 | C9 | H9 | 109.0° | 108.9° |
| C7 | C9 | H9A | 108.7° | 108.9° |
| C7 | C44 | O46 | 109.8° | 109.5° |
| C7 | C44 | C48 | 112.7° | 109.5° |
| C44 | C7 | H7 | 108.1° | 107.8° |
| C7 | C44 | H44 | 107.2° | 109.5° |
| C9 | C12 | C14 | 105.3° | 108.5° |
| C9 | C12 | C40 | 110.8° | 110.9° |
| C12 | C9 | H9 | 109.0° | 108.7° |
| C12 | C9 | H9A | 108.7° | 108.7° |
| C9 | C12 | H12 | 111.8° | 110.0° |
| C14 | C12 | C40 | 110.7° | 109.0° |
| C12 | C14 | C17 | 113.8° | 111.6° |
| C14 | C12 | H12 | 111.9° | 108.4° |
| C12 | C14 | H14 | 108.0° | 108.6° |
| C12 | C14 | H14A | 107.1° | 108.9° |
| C40 | C12 | H12 | 106.5° | 110.0° |
| C12 | C40 | H40 | 109.5° | 109.5° |
| C12 | C40 | H40A | 109.5° | 109.5° |
| C12 | C40 | H40B | 109.4° | 109.5° |
| C14 | C17 | C20 | 114.3° | 110.1° |
| C17 | C14 | H14 | 108.1° | 109.7° |
| C17 | C14 | H14A | 107.1° | 109.5° |
| C14 | C17 | H17 | 107.9° | 111.6° |
| C14 | C17 | H17A | 106.8° | 108.4° |
| C17 | C20 | C23 | 111.3° | 110.4° |
| C20 | C17 | H17 | 107.9° | 111.0° |
| C20 | C17 | H17A | 106.8° | 107.8° |
| C17 | C20 | H20 | 108.9° | 109.3° |
| C17 | C20 | H20A | 108.4° | 109.3° |
| C20 | C23 | C26 | 110.0° | 109.6° |
| C23 | C20 | H20 | 108.8° | 109.2° |
| C23 | C20 | H20A | 108.4° | 109.5° |
| C20 | C23 | H23 | 109.3° | 110.2° |
| C20 | C23 | H23A | 109.2° | 108.7° |
| C23 | C26 | C29 | 112.8° | 110.0° |
| C26 | C23 | H23 | 109.3° | 109.9° |
| C26 | C23 | H23A | 109.2° | 109.1° |
| C23 | C26 | H26 | 108.4° | 109.3° |
| C23 | C26 | H26A | 107.6° | 109.5° |
| C26 | C29 | C32 | 110.1° | 109.7° |
| C29 | C26 | H26 | 108.4° | 109.5° |
| C29 | C26 | H26A | 107.6° | 109.3° |
| C26 | C29 | H29 | 109.3° | 109.9° |
| C26 | C29 | H29A | 109.1° | 109.3° |
| C29 | C32 | C35 | 112.1° | 110.0° |
| C32 | C29 | H29 | 109.2° | 109.6° |
| C32 | C29 | H29A | 109.1° | 109.1° |
| C29 | C32 | H32 | 108.6° | 109.1° |
| C29 | C32 | H32A | 108.0° | 109.8° |
| C32 | C35 | C38 | 106.2° | 109.8° |
| C35 | C32 | H32 | 108.6° | 109.2° |
| C35 | C32 | H32A | 108.0° | 109.9° |
| C32 | C35 | H35 | 110.6° | 109.3° |
| C32 | C35 | H35A | 111.3° | 108.7° |
| C35 | C38 | O39 | 118.1° | 118.6° |
| C38 | C35 | H35 | 110.6° | 109.7° |
| C38 | C35 | H35A | 111.3° | 109.3° |
| O46 | C44 | C48 | 109.9° | 109.5° |
| O46 | C44 | H44 | 110.2° | 109.4° |
| C44 | O46 | HO46 | 109.5° | 114.0° |
| C44 | C48 | N51 | 111.6° | 109.5° |
| C48 | C44 | H44 | 107.1° | 109.5° |
| C44 | C48 | H48 | 108.7° | 109.5° |
| C44 | C48 | H48A | 108.3° | 109.5° |
| C48 | N51 | C53 | 112.3° | 111.0° |
| N51 | C48 | H48 | 108.8° | 109.5° |
| N51 | C48 | H48A | 108.3° | 109.5° |
| C48 | N51 | HN51 | 108.5° | 111.0° |
| N51 | C53 | C56 | 113.4° | 109.5° |
| C53 | N51 | HN51 | 108.5° | 111.0° |
| N51 | C53 | H53 | 108.2° | 109.5° |
| N51 | C53 | H53A | 107.3° | 109.5° |
| C53 | C56 | C57 | 120.7° | 120.0° |
| C53 | C56 | C64 | 119.7° | 120.0° |
| C56 | C53 | H53 | 108.1° | 109.4° |
| C56 | C53 | H53A | 107.3° | 109.5° |
| C57 | C56 | C64 | 119.5° | 120.0° |
| C56 | C57 | C59 | 120.4° | 120.0° |
| C56 | C57 | H57 | 119.8° | 120.0° |
| C56 | C64 | C62 | 119.4° | 120.0° |
| C56 | C64 | H64 | 120.3° | 120.0° |
| C57 | C59 | C60 | 120.3° | 120.0° |
| C57 | C59 | C66 | 122.0° | 120.0° |
| C59 | C57 | H57 | 119.8° | 120.0° |
| C60 | C59 | C66 | 117.7° | 120.0° |
| C59 | C60 | C62 | 119.1° | 120.0° |
| C59 | C60 | H60 | 120.4° | 120.0° |
| C59 | C66 | C68 | 108.3° | 109.5° |
| C59 | C66 | C72 | 111.7° | 109.5° |
| C59 | C66 | H66 | 108.7° | 109.5° |
| C60 | C62 | C64 | 121.3° | 120.0° |
| C62 | C60 | H60 | 120.5° | 120.0° |
| C60 | C62 | H62 | 119.3° | 120.0° |
| C64 | C62 | H62 | 119.3° | 120.0° |
| C62 | C64 | H64 | 120.3° | 120.0° |
| C68 | C66 | C72 | 109.4° | 109.5° |
| C68 | C66 | H66 | 111.1° | 109.4° |
| C66 | C68 | H68 | 109.5° | 109.4° |
| C66 | C68 | H68A | 109.5° | 109.5° |
| C66 | C68 | H68B | 109.4° | 109.5° |
| C72 | C66 | H66 | 107.6° | 109.4° |
| C66 | C72 | H72 | 109.5° | 109.5° |
| C66 | C72 | H72A | 109.4° | 109.5° |
| C66 | C72 | H72B | 109.5° | 109.4° |
| H9 | C9 | H9A | 110.6° | 107.4° |
| H14 | C14 | H14A | 112.9° | 108.5° |
| H17 | C17 | H17A | 113.3° | 107.8° |
| H20 | C20 | H20A | 110.9° | 109.1° |
| H23 | C23 | H23A | 109.8° | 109.3° |
| H26 | C26 | H26A | 112.1° | 109.2° |
| H29 | C29 | H29A | 110.0° | 109.2° |
| H32 | C32 | H32A | 111.5° | 108.9° |
| H35 | C35 | H35A | 106.9° | 110.0° |
| H40 | C40 | H40A | 109.4° | 109.5° |
| H40 | C40 | H40B | 109.5° | 109.4° |
| H40A | C40 | H40B | 109.5° | 109.4° |
| H48 | C48 | H48A | 111.2° | 109.5° |
| H53 | C53 | H53A | 112.6° | 109.5° |
| H68 | C68 | H68A | 109.5° | 109.4° |
| H68 | C68 | H68B | 109.5° | 109.5° |
| H68A | C68 | H68B | 109.5° | 109.5° |
| H72 | C72 | H72A | 109.5° | 109.5° |
| H72 | C72 | H72B | 109.4° | 109.4° |
| H72A | C72 | H72B | 109.5° | 109.5° |
| H77 | C77 | H77A | 109.5° | 109.5° |
| H77 | C77 | H77B | 109.5° | 109.5° |
| H77A | C77 | H77B | 109.5° | 109.4° |
| H81 | C81 | H81A | 109.5° | 109.5° |
| H81 | C81 | H81B | 109.5° | 109.5° |
| H81A | C81 | H81B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C38 | C81 | 178.6° | 179.7° |
| N1 | C2 | C4 | C77 | 124.2° | 125.7° |
| N1 | C2 | C4 | H2 | 119.1° | 117.2° |
| N1 | C2 | C77 | H2 | 118.8° | 118.1° |
| N1 | C2 | C4 | N5 | 61.4° | 60.0° |
| N1 | C2 | C4 | O76 | 118.8° | 121.4° |
| C2 | N1 | C38 | C35 | 177.4° | 174.8° |
| C2 | N1 | C38 | O39 | 2.9° | 5.7° |
| N1 | C2 | C77 | H77 | 51.0° | 60.0° |
| N1 | C2 | C77 | H77A | 69.0° | 180.0° |
| N1 | C2 | C77 | H77B | 171.0° | 60.1° |
| C2 | N1 | C81 | H81 | 174.6° | 90.1° |
| C2 | N1 | C81 | H81A | 54.6° | 150.0° |
| C2 | N1 | C81 | H81B | 65.4° | 30.0° |
| C38 | N1 | C2 | C4 | 138.2° | 78.8° |
| C38 | N1 | C2 | C77 | 97.9° | 46.2° |
| N1 | C38 | C35 | C32 | 85.2° | 177.5° |
| N1 | C38 | C35 | O39 | 179.7° | 179.5° |
| C38 | N1 | C2 | H2 | 18.7° | 164.2° |
| N1 | C38 | C35 | H35 | 154.8° | 62.4° |
| N1 | C38 | C35 | H35A | 36.1° | 58.3° |
| C38 | N1 | C81 | H81 | 6.8° | 90.2° |
| C38 | N1 | C81 | H81A | 126.8° | 29.7° |
| C38 | N1 | C81 | H81B | 113.2° | 149.7° |
| C81 | N1 | C2 | C4 | 43.2° | 101.5° |
| C81 | N1 | C2 | C77 | 80.7° | 133.5° |
| C81 | N1 | C38 | C35 | 3.9° | 4.9° |
| C81 | N1 | C38 | O39 | 175.8° | 174.6° |
| C81 | N1 | C2 | H2 | 162.7° | 15.5° |
| N1 | C81 | H81 | H81A | 120.0° | 120.0° |
| N1 | C81 | H81 | H81B | 120.0° | 120.1° |
| N1 | C81 | H81A | H81B | 120.0° | 120.0° |
| C4 | C2 | C77 | H2 | 119.2° | 117.0° |
| C2 | C4 | N5 | O76 | 179.8° | 178.6° |
| C2 | C4 | N5 | C7 | 178.2° | 175.7° |
| C2 | C4 | N5 | HN5 | 1.8° | 7.3° |
| C4 | C2 | C77 | H77 | 173.0° | 64.9° |
| C4 | C2 | C77 | H77A | 53.0° | 55.1° |
| C4 | C2 | C77 | H77B | 67.0° | 175.0° |
| C77 | C2 | C4 | N5 | 174.3° | 65.7° |
| C77 | C2 | C4 | O76 | 5.4° | 112.9° |
| C2 | C77 | H77 | H77A | 120.0° | 120.0° |
| C2 | C77 | H77 | H77B | 120.0° | 120.1° |
| C2 | C77 | H77A | H77B | 120.0° | 120.0° |
| C4 | N5 | C7 | HN5 | 180.0° | 176.9° |
| C4 | N5 | C7 | C9 | 143.8° | 178.1° |
| C4 | N5 | C7 | C44 | 99.3° | 57.4° |
| N5 | C4 | C2 | H2 | 57.7° | 177.2° |
| C4 | N5 | C7 | H7 | 20.7° | 61.0° |
| O76 | C4 | N5 | C7 | 1.5° | 5.7° |
| O76 | C4 | C2 | H2 | 122.1° | 4.2° |
| O76 | C4 | N5 | HN5 | 178.5° | 171.2° |
| N5 | C7 | C9 | C44 | 119.0° | 124.8° |
| N5 | C7 | C9 | H7 | 121.1° | 116.9° |
| N5 | C7 | C44 | H7 | 121.4° | 118.3° |
| N5 | C7 | C9 | C12 | 54.6° | 82.5° |
| N5 | C7 | C44 | O46 | 170.0° | 58.1° |
| N5 | C7 | C44 | C48 | 67.2° | 178.1° |
| N5 | C7 | C9 | H9 | 65.4° | 155.9° |
| N5 | C7 | C9 | H9A | 174.1° | 39.1° |
| N5 | C7 | C44 | H44 | 50.3° | 61.9° |
| C9 | C7 | C44 | H7 | 123.2° | 118.4° |
| C7 | C9 | C12 | H9 | 120.0° | 121.7° |
| C7 | C9 | C12 | H9A | 119.4° | 121.7° |
| C7 | C9 | C12 | C14 | 174.7° | 171.4° |
| C7 | C9 | C12 | C40 | 55.0° | 51.7° |
| C9 | C7 | C44 | O46 | 54.6° | 65.2° |
| C9 | C7 | C44 | C48 | 177.4° | 54.8° |
| C9 | C7 | N5 | HN5 | 36.2° | 1.1° |
| C7 | C9 | H9 | H9A | 119.4° | 117.7° |
| C7 | C9 | C12 | H12 | 63.6° | 70.2° |
| C9 | C7 | C44 | H44 | 65.0° | 174.8° |
| C44 | C7 | C9 | C12 | 173.6° | 42.2° |
| C7 | C44 | O46 | C48 | 124.5° | 120.0° |
| C7 | C44 | O46 | H44 | 117.8° | 120.0° |
| C7 | C44 | C48 | H44 | 117.6° | 120.0° |
| C7 | C44 | C48 | N51 | 179.4° | 174.6° |
| C44 | C7 | N5 | HN5 | 80.6° | 125.7° |
| C44 | C7 | C9 | H9 | 53.6° | 79.3° |
| C44 | C7 | C9 | H9A | 66.9° | 163.9° |
| C7 | C44 | O46 | HO46 | 86.4° | 87.1° |
| C7 | C44 | C48 | H48 | 59.4° | 54.6° |
| C7 | C44 | C48 | H48A | 61.6° | 65.4° |
| C9 | C12 | C14 | C40 | 119.8° | 120.8° |
| C9 | C12 | C14 | H12 | 121.6° | 119.5° |
| C9 | C12 | C40 | H12 | 121.7° | 122.0° |
| C9 | C12 | C14 | C17 | 172.8° | 166.6° |
| C12 | C9 | C7 | H7 | 66.5° | 160.6° |
| C12 | C9 | H9 | H9A | 119.5° | 117.4° |
| C9 | C12 | C14 | H14 | 52.8° | 72.4° |
| C9 | C12 | C14 | H14A | 69.1° | 45.6° |
| C9 | C12 | C40 | H40 | 159.0° | 39.8° |
| C9 | C12 | C40 | H40A | 39.0° | 159.9° |
| C9 | C12 | C40 | H40B | 81.0° | 80.2° |
| C14 | C12 | C40 | H12 | 121.8° | 118.7° |
| C12 | C14 | C17 | H14 | 120.0° | 120.4° |
| C12 | C14 | C17 | H14A | 118.1° | 120.7° |
| C12 | C14 | C17 | C20 | 57.6° | 104.7° |
| C14 | C12 | C9 | H9 | 65.3° | 66.9° |
| C14 | C12 | C9 | H9A | 55.3° | 49.6° |
| C12 | C14 | H14 | H14A | 118.2° | 118.2° |
| C12 | C14 | C17 | H17 | 177.7° | 19.0° |
| C12 | C14 | C17 | H17A | 60.2° | 137.6° |
| C14 | C12 | C40 | H40 | 42.5° | 159.1° |
| C14 | C12 | C40 | H40A | 77.5° | 80.8° |
| C14 | C12 | C40 | H40B | 162.6° | 39.2° |
| C40 | C12 | C14 | C17 | 67.4° | 45.8° |
| C40 | C12 | C9 | H9 | 175.0° | 173.5° |
| C40 | C12 | C9 | H9A | 64.4° | 70.0° |
| C40 | C12 | C14 | H14 | 172.6° | 166.8° |
| C40 | C12 | C14 | H14A | 50.7° | 75.3° |
| C12 | C40 | H40 | H40A | 120.0° | 120.1° |
| C12 | C40 | H40 | H40B | 120.0° | 120.0° |
| C12 | C40 | H40A | H40B | 120.0° | 120.0° |
| C14 | C17 | C20 | H17 | 120.0° | 124.1° |
| C14 | C17 | C20 | H17A | 117.9° | 118.1° |
| C14 | C17 | C20 | C23 | 57.0° | 124.6° |
| C17 | C14 | C12 | H12 | 51.2° | 74.0° |
| C17 | C14 | H14 | H14A | 118.2° | 119.6° |
| C14 | C17 | H17 | H17A | 118.0° | 118.9° |
| C14 | C17 | C20 | H20 | 177.0° | 115.4° |
| C14 | C17 | C20 | H20A | 62.2° | 4.0° |
| C17 | C20 | C23 | H20 | 120.0° | 120.1° |
| C17 | C20 | C23 | H20A | 119.2° | 120.4° |
| C17 | C20 | C23 | C26 | 164.2° | 135.2° |
| C20 | C17 | C14 | H14 | 62.4° | 134.9° |
| C20 | C17 | C14 | H14A | 175.7° | 15.9° |
| C20 | C17 | H17 | H17A | 118.0° | 117.8° |
| C17 | C20 | H20 | H20A | 119.3° | 119.5° |
| C17 | C20 | C23 | H23 | 75.8° | 14.1° |
| C17 | C20 | C23 | H23A | 44.4° | 105.7° |
| C20 | C23 | C26 | H23 | 120.0° | 121.3° |
| C20 | C23 | C26 | H23A | 119.8° | 118.9° |
| C20 | C23 | C26 | C29 | 50.9° | 137.7° |
| C23 | C20 | C17 | H17 | 63.0° | 0.5° |
| C23 | C20 | C17 | H17A | 174.9° | 117.3° |
| C23 | C20 | H20 | H20A | 119.2° | 119.7° |
| C20 | C23 | H23 | H23A | 119.8° | 119.4° |
| C20 | C23 | C26 | H26 | 170.9° | 102.1° |
| C20 | C23 | C26 | H26A | 67.7° | 17.5° |
| C23 | C26 | C29 | H26 | 120.0° | 120.1° |
| C23 | C26 | C29 | H26A | 118.6° | 120.3° |
| C23 | C26 | C29 | C32 | 58.0° | 153.1° |
| C26 | C23 | C20 | H20 | 44.2° | 104.7° |
| C26 | C23 | C20 | H20A | 76.6° | 14.7° |
| C26 | C23 | H23 | H23A | 119.8° | 119.8° |
| C23 | C26 | H26 | H26A | 118.6° | 119.8° |
| C23 | C26 | C29 | H29 | 178.1° | 32.5° |
| C23 | C26 | C29 | H29A | 61.7° | 87.3° |
| C26 | C29 | C32 | H29 | 120.0° | 120.7° |
| C26 | C29 | C32 | H29A | 119.7° | 119.7° |
| C26 | C29 | C32 | C35 | 176.7° | 141.7° |
| C29 | C26 | C23 | H23 | 69.1° | 16.4° |
| C29 | C26 | C23 | H23A | 170.7° | 103.5° |
| C29 | C26 | H26 | H26A | 118.6° | 119.6° |
| C26 | C29 | H29 | H29A | 119.8° | 119.9° |
| C26 | C29 | C32 | H32 | 56.6° | 98.5° |
| C26 | C29 | C32 | H32A | 64.5° | 20.7° |
| C29 | C32 | C35 | H32 | 120.0° | 119.7° |
| C29 | C32 | C35 | H32A | 118.9° | 120.9° |
| C29 | C32 | C35 | C38 | 162.9° | 109.1° |
| C32 | C29 | C26 | H26 | 62.0° | 86.8° |
| C32 | C29 | C26 | H26A | 176.6° | 32.8° |
| C32 | C29 | H29 | H29A | 119.7° | 119.5° |
| C29 | C32 | H32 | H32A | 118.9° | 119.8° |
| C29 | C32 | C35 | H35 | 77.1° | 11.2° |
| C29 | C32 | C35 | H35A | 41.6° | 131.4° |
| C32 | C35 | C38 | H35 | 120.0° | 120.1° |
| C32 | C35 | C38 | H35A | 121.3° | 119.2° |
| C32 | C35 | C38 | O39 | 95.1° | 3.0° |
| C35 | C32 | C29 | H29 | 63.3° | 21.0° |
| C35 | C32 | C29 | H29A | 57.0° | 98.6° |
| C35 | C32 | H32 | H32A | 118.9° | 120.0° |
| C32 | C35 | H35 | H35A | 121.4° | 119.3° |
| C38 | C35 | C32 | H32 | 42.9° | 131.2° |
| C38 | C35 | C32 | H32A | 78.2° | 11.8° |
| C38 | C35 | H35 | H35A | 121.3° | 120.3° |
| O39 | C38 | C35 | H35 | 24.9° | 117.1° |
| O39 | C38 | C35 | H35A | 143.6° | 122.2° |
| O46 | C44 | C48 | H44 | 119.7° | 120.0° |
| O46 | C44 | C48 | N51 | 57.9° | 65.4° |
| O46 | C44 | C7 | H7 | 68.6° | 176.4° |
| O46 | C44 | C48 | H48 | 177.9° | 174.6° |
| O46 | C44 | C48 | H48A | 61.2° | 54.6° |
| C44 | C48 | N51 | H48 | 120.0° | 120.0° |
| C44 | C48 | N51 | H48A | 119.1° | 120.0° |
| C44 | C48 | N51 | C53 | 163.7° | 180.0° |
| C48 | C44 | C7 | H7 | 54.2° | 63.6° |
| C48 | C44 | O46 | HO46 | 38.0° | 32.9° |
| C44 | C48 | H48 | H48A | 119.2° | 120.0° |
| C44 | C48 | N51 | HN51 | 43.7° | 56.0° |
| C48 | N51 | C53 | HN51 | 120.0° | 124.0° |
| C48 | N51 | C53 | C56 | 58.0° | 180.0° |
| N51 | C48 | C44 | H44 | 61.8° | 54.6° |
| N51 | C48 | H48 | H48A | 119.1° | 120.0° |
| C48 | N51 | C53 | H53 | 178.0° | 60.0° |
| C48 | N51 | C53 | H53A | 60.3° | 60.0° |
| N51 | C53 | C56 | H53 | 120.0° | 120.0° |
| N51 | C53 | C56 | H53A | 118.3° | 120.0° |
| N51 | C53 | C56 | C57 | 53.6° | 90.0° |
| N51 | C53 | C56 | C64 | 126.8° | 90.3° |
| C53 | N51 | C48 | H48 | 76.3° | 60.0° |
| C53 | N51 | C48 | H48A | 44.6° | 60.1° |
| N51 | C53 | H53 | H53A | 118.4° | 120.0° |
| C53 | C56 | C57 | C64 | 179.7° | 179.7° |
| C53 | C56 | C57 | C59 | 178.4° | 180.0° |
| C53 | C56 | C64 | C62 | 178.6° | 179.8° |
| C56 | C53 | N51 | HN51 | 62.0° | 56.0° |
| C56 | C53 | H53 | H53A | 118.3° | 120.0° |
| C53 | C56 | C57 | H57 | 1.6° | 0.0° |
| C53 | C56 | C64 | H64 | 1.4° | 0.0° |
| C56 | C57 | C59 | H57 | 180.0° | 180.0° |
| C56 | C57 | C59 | C60 | 1.1° | 0.1° |
| C56 | C57 | C59 | C66 | 178.5° | 180.0° |
| C57 | C56 | C64 | C62 | 1.0° | 0.5° |
| C57 | C56 | C53 | H53 | 66.4° | 30.0° |
| C57 | C56 | C53 | H53A | 171.8° | 150.0° |
| C57 | C56 | C64 | H64 | 178.9° | 179.7° |
| C64 | C56 | C57 | C59 | 1.2° | 0.3° |
| C56 | C64 | C62 | C60 | 0.7° | 0.4° |
| C56 | C64 | C62 | H64 | 180.0° | 179.8° |
| C64 | C56 | C53 | H53 | 113.2° | 149.7° |
| C64 | C56 | C53 | H53A | 8.5° | 29.7° |
| C64 | C56 | C57 | H57 | 178.8° | 179.7° |
| C56 | C64 | C62 | H62 | 179.3° | 179.8° |
| C57 | C59 | C60 | C66 | 179.6° | 180.0° |
| C57 | C59 | C60 | C62 | 0.7° | 0.0° |
| C57 | C59 | C66 | C68 | 57.2° | 119.9° |
| C57 | C59 | C66 | C72 | 63.4° | 120.0° |
| C57 | C59 | C60 | H60 | 179.3° | 180.0° |
| C57 | C59 | C66 | H66 | 178.0° | 0.0° |
| C59 | C60 | C62 | H60 | 180.0° | 180.0° |
| C59 | C60 | C62 | C64 | 0.5° | 0.1° |
| C60 | C59 | C66 | C68 | 122.4° | 60.0° |
| C60 | C59 | C66 | C72 | 117.0° | 60.0° |
| C60 | C59 | C57 | H57 | 178.9° | 180.0° |
| C59 | C60 | C62 | H62 | 179.5° | 180.0° |
| C60 | C59 | C66 | H66 | 1.6° | 180.0° |
| C66 | C59 | C60 | C62 | 178.9° | 179.9° |
| C59 | C66 | C68 | C72 | 122.0° | 120.1° |
| C59 | C66 | C68 | H66 | 119.3° | 120.0° |
| C59 | C66 | C72 | H66 | 119.3° | 120.0° |
| C66 | C59 | C57 | H57 | 1.5° | 0.0° |
| C66 | C59 | C60 | H60 | 1.1° | 0.0° |
| C59 | C66 | C68 | H68 | 121.0° | 60.0° |
| C59 | C66 | C68 | H68A | 119.0° | 180.0° |
| C59 | C66 | C68 | H68B | 1.0° | 60.0° |
| C59 | C66 | C72 | H72 | 51.4° | 59.9° |
| C59 | C66 | C72 | H72A | 171.4° | 180.0° |
| C59 | C66 | C72 | H72B | 68.6° | 60.0° |
| C60 | C62 | C64 | H62 | 180.0° | 179.9° |
| C60 | C62 | C64 | H64 | 179.3° | 179.8° |
| C64 | C62 | C60 | H60 | 179.5° | 179.8° |
| C68 | C66 | C72 | H66 | 120.8° | 119.9° |
| C66 | C68 | H68 | H68A | 120.0° | 120.0° |
| C66 | C68 | H68 | H68B | 120.0° | 120.0° |
| C66 | C68 | H68A | H68B | 120.0° | 120.1° |
| C68 | C66 | C72 | H72 | 68.6° | 180.0° |
| C68 | C66 | C72 | H72A | 51.4° | 59.9° |
| C68 | C66 | C72 | H72B | 171.5° | 60.1° |
| C72 | C66 | C68 | H68 | 117.0° | 60.0° |
| C72 | C66 | C68 | H68A | 3.0° | 59.9° |
| C72 | C66 | C68 | H68B | 123.0° | 180.0° |
| C66 | C72 | H72 | H72A | 120.0° | 120.1° |
| C66 | C72 | H72 | H72B | 120.0° | 119.9° |
| C66 | C72 | H72A | H72B | 120.0° | 120.0° |
| H2 | C2 | C77 | H77 | 67.8° | 178.1° |
| H2 | C2 | C77 | H77A | 172.2° | 61.9° |
| H2 | C2 | C77 | H77B | 52.2° | 58.0° |
| HN5 | N5 | C7 | H7 | 159.3° | 116.0° |
| H7 | C7 | C9 | H9 | 173.5° | 39.0° |
| H7 | C7 | C9 | H9A | 52.9° | 77.8° |
| H7 | C7 | C44 | H44 | 171.8° | 56.4° |
| H9 | C9 | C12 | H12 | 56.4° | 51.5° |
| H9A | C9 | C12 | H12 | 177.0° | 168.1° |
| H12 | C12 | C14 | H14 | 68.8° | 47.1° |
| H12 | C12 | C14 | H14A | 169.3° | 165.0° |
| H12 | C12 | C40 | H40 | 79.3° | 82.1° |
| H12 | C12 | C40 | H40A | 160.7° | 37.9° |
| H12 | C12 | C40 | H40B | 40.7° | 157.9° |
| H14 | C14 | C17 | H17 | 57.7° | 101.4° |
| H14 | C14 | C17 | H17A | 179.8° | 17.2° |
| H14A | C14 | C17 | H17 | 64.2° | 139.7° |
| H14A | C14 | C17 | H17A | 57.9° | 101.8° |
| H17 | C17 | C20 | H20 | 57.0° | 120.6° |
| H17 | C17 | C20 | H20A | 177.8° | 120.1° |
| H17A | C17 | C20 | H20 | 65.1° | 2.7° |
| H17A | C17 | C20 | H20A | 55.7° | 122.1° |
| H20 | C20 | C23 | H23 | 164.2° | 134.2° |
| H20 | C20 | C23 | H23A | 75.6° | 14.5° |
| H20A | C20 | C23 | H23 | 43.4° | 106.4° |
| H20A | C20 | C23 | H23A | 163.6° | 133.9° |
| H23 | C23 | C26 | H26 | 50.9° | 136.7° |
| H23 | C23 | C26 | H26A | 172.3° | 103.7° |
| H23A | C23 | C26 | H26 | 69.3° | 16.8° |
| H23A | C23 | C26 | H26A | 52.1° | 136.4° |
| H26 | C26 | C29 | H29 | 58.0° | 152.6° |
| H26 | C26 | C29 | H29A | 178.3° | 32.8° |
| H26A | C26 | C29 | H29 | 63.4° | 87.8° |
| H26A | C26 | C29 | H29A | 56.9° | 152.4° |
| H29 | C29 | C32 | H32 | 176.7° | 140.8° |
| H29 | C29 | C32 | H32A | 55.6° | 100.0° |
| H29A | C29 | C32 | H32 | 63.1° | 21.2° |
| H29A | C29 | C32 | H32A | 175.8° | 140.4° |
| H32 | C32 | C35 | H35 | 162.8° | 108.5° |
| H32 | C32 | C35 | H35A | 78.4° | 11.6° |
| H32A | C32 | C35 | H35 | 41.7° | 132.2° |
| H32A | C32 | C35 | H35A | 160.5° | 107.7° |
| H40 | C40 | H40A | H40B | 120.0° | 119.9° |
| H44 | C44 | O46 | HO46 | 155.8° | 152.9° |
| H44 | C44 | C48 | H48 | 58.2° | 65.4° |
| H44 | C44 | C48 | H48A | 179.2° | 174.6° |
| H48 | C48 | N51 | HN51 | 163.7° | 176.0° |
| H48A | C48 | N51 | HN51 | 75.4° | 63.9° |
| HN51 | N51 | C53 | H53 | 58.0° | 176.0° |
| HN51 | N51 | C53 | H53A | 179.8° | 64.0° |
| H60 | C60 | C62 | H62 | 0.5° | 0.0° |
| H62 | C62 | C64 | H64 | 0.7° | 0.1° |
| H66 | C66 | C68 | H68 | 1.7° | NaN° |
| H66 | C66 | C68 | H68A | 121.7° | 60.0° |
| H66 | C66 | C68 | H68B | 118.3° | 60.0° |
| H66 | C66 | C72 | H72 | 170.6° | 60.1° |
| H66 | C66 | C72 | H72A | 69.4° | 60.0° |
| H66 | C66 | C72 | H72B | 50.7° | 179.9° |
| H68 | C68 | H68A | H68B | 120.0° | 120.0° |
| H72 | C72 | H72A | H72B | 120.0° | 120.0° |
| H77 | C77 | H77A | H77B | 120.0° | 120.0° |
| H81 | C81 | H81A | H81B | 120.0° | 120.0° |
