0BI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C3 | sing | 1.48Å | 1.47Å | |
| N1 | C50 | sing | 1.37Å | 1.37Å | |
| C3 | C5 | sing | 1.53Å | 1.56Å | |
| C3 | C52 | sing | 1.53Å | 1.56Å | |
| C5 | C8 | sing | 1.51Å | 1.54Å | |
| C8 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C9 | C11 | sing | 1.39Å | 1.42Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | O18 | sing | 1.36Å | 1.40Å | |
| C12 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| O18 | C19 | sing | 1.43Å | 1.44Å | |
| C19 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | C25 | sing | 1.53Å | 1.55Å | |
| C25 | C28 | sing | 1.53Å | 1.55Å | |
| C28 | N31 | sing | 1.48Å | 1.46Å | |
| N31 | C33 | sing | 1.41Å | 1.37Å | |
| C33 | C34 | doub | 1.38Å | 1.42Å | Aromatic |
| C33 | C40 | sing | 1.39Å | 1.42Å | Aromatic |
| C34 | C36 | sing | 1.40Å | 1.42Å | Aromatic |
| C36 | C37 | doub | 1.40Å | 1.42Å | Aromatic |
| C36 | C50 | sing | 1.48Å | 1.51Å | |
| C37 | C39 | sing | 1.38Å | 1.42Å | Aromatic |
| C39 | C40 | doub | 1.38Å | 1.42Å | Aromatic |
| C39 | C42 | sing | 1.51Å | 1.54Å | |
| C42 | O45 | sing | 1.43Å | 1.44Å | |
| O45 | C46 | sing | 1.43Å | 1.45Å | |
| C50 | O51 | doub | 1.22Å | 1.23Å | |
| C52 | O54 | sing | 1.43Å | 1.44Å | |
| C52 | C56 | sing | 1.53Å | 1.55Å | |
| C56 | N59 | sing | 1.47Å | 1.48Å | |
| N59 | C61 | sing | 1.47Å | 1.47Å | |
| C61 | C62 | sing | 1.53Å | 1.54Å | |
| C61 | C65 | sing | 1.53Å | 1.55Å | |
| C61 | C68 | sing | 1.51Å | 1.54Å | |
| C62 | C65 | sing | 1.53Å | 1.54Å | |
| C68 | C69 | doub | 1.38Å | 1.41Å | Aromatic |
| C68 | C76 | sing | 1.38Å | 1.42Å | Aromatic |
| C69 | C71 | sing | 1.38Å | 1.42Å | Aromatic |
| C71 | C72 | doub | 1.38Å | 1.42Å | Aromatic |
| C71 | C78 | sing | 1.51Å | 1.54Å | |
| C72 | C74 | sing | 1.38Å | 1.41Å | Aromatic |
| C74 | C76 | doub | 1.38Å | 1.41Å | Aromatic |
| C78 | C80 | sing | 1.53Å | 1.55Å | |
| C78 | C84 | sing | 1.53Å | 1.55Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| N31 | HN31 | sing | 0.97Å | 1.00Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C46 | H46B | sing | 1.09Å | 1.10Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| O54 | HO54 | sing | 0.97Å | 0.95Å | |
| C56 | H56 | sing | 1.09Å | 1.10Å | |
| C56 | H56A | sing | 1.09Å | 1.10Å | |
| N59 | HN59 | sing | 1.01Å | 1.00Å | |
| C62 | H62 | sing | 1.09Å | 1.10Å | |
| C62 | H62A | sing | 1.09Å | 1.10Å | |
| C65 | H65 | sing | 1.09Å | 1.10Å | |
| C65 | H65A | sing | 1.09Å | 1.10Å | |
| C69 | H69 | sing | 1.08Å | 1.08Å | |
| C72 | H72 | sing | 1.08Å | 1.08Å | |
| C74 | H74 | sing | 1.08Å | 1.08Å | |
| C76 | H76 | sing | 1.08Å | 1.08Å | |
| C78 | H78 | sing | 1.09Å | 1.10Å | |
| C80 | H80 | sing | 1.09Å | 1.10Å | |
| C80 | H80A | sing | 1.09Å | 1.10Å | |
| C80 | H80B | sing | 1.09Å | 1.10Å | |
| C84 | H84 | sing | 1.09Å | 1.10Å | |
| C84 | H84A | sing | 1.09Å | 1.10Å | |
| C84 | H84B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N1 | C50 | 126.9° | 114.2° |
| N1 | C3 | C5 | 108.8° | 109.5° |
| N1 | C3 | C52 | 109.3° | 109.5° |
| C3 | N1 | HN1 | 116.6° | 122.9° |
| N1 | C3 | H3 | 111.0° | 109.4° |
| N1 | C50 | C36 | 121.1° | 119.2° |
| N1 | C50 | O51 | 121.4° | 120.4° |
| C50 | N1 | HN1 | 116.5° | 122.9° |
| C5 | C3 | C52 | 112.2° | 109.5° |
| C3 | C5 | C8 | 111.6° | 109.6° |
| C5 | C3 | H3 | 108.0° | 109.5° |
| C3 | C5 | H5 | 108.7° | 109.4° |
| C3 | C5 | H5A | 108.8° | 109.4° |
| C3 | C52 | O54 | 110.5° | 109.5° |
| C3 | C52 | C56 | 111.2° | 109.5° |
| C52 | C3 | H3 | 107.5° | 109.5° |
| C3 | C52 | H52 | 106.5° | 109.5° |
| C5 | C8 | C9 | 120.2° | 119.4° |
| C5 | C8 | C16 | 120.3° | 120.5° |
| C8 | C5 | H5 | 108.7° | 109.4° |
| C8 | C5 | H5A | 108.7° | 109.4° |
| C9 | C8 | C16 | 119.5° | 120.0° |
| C8 | C9 | C11 | 120.5° | 119.8° |
| C8 | C9 | H9 | 119.7° | 120.0° |
| C8 | C16 | C14 | 120.3° | 120.3° |
| C8 | C16 | H16 | 119.9° | 119.9° |
| C9 | C11 | C12 | 119.6° | 119.9° |
| C9 | C11 | O18 | 122.4° | 119.8° |
| C11 | C9 | H9 | 119.8° | 120.1° |
| C12 | C11 | O18 | 118.1° | 120.3° |
| C11 | C12 | C14 | 120.1° | 120.1° |
| C11 | C12 | H12 | 119.9° | 119.9° |
| C11 | O18 | C19 | 125.1° | 117.1° |
| C12 | C14 | C16 | 120.0° | 119.8° |
| C14 | C12 | H12 | 119.9° | 119.9° |
| C12 | C14 | H14 | 120.0° | 120.1° |
| C16 | C14 | H14 | 120.0° | 120.1° |
| C14 | C16 | H16 | 119.8° | 119.8° |
| O18 | C19 | C22 | 111.3° | 109.7° |
| O18 | C19 | H19 | 108.9° | 109.5° |
| O18 | C19 | H19A | 108.9° | 109.4° |
| C19 | C22 | C25 | 114.8° | 109.4° |
| C22 | C19 | H19 | 108.9° | 109.4° |
| C22 | C19 | H19A | 108.9° | 109.4° |
| C19 | C22 | H22 | 107.7° | 109.5° |
| C19 | C22 | H22A | 107.7° | 109.4° |
| C22 | C25 | C28 | 110.4° | 109.4° |
| C25 | C22 | H22 | 107.7° | 109.5° |
| C25 | C22 | H22A | 107.7° | 109.5° |
| C22 | C25 | H25 | 109.2° | 109.5° |
| C22 | C25 | H25A | 109.2° | 109.5° |
| C25 | C28 | N31 | 108.2° | 109.2° |
| C28 | C25 | H25 | 109.2° | 109.4° |
| C28 | C25 | H25A | 109.2° | 109.5° |
| C25 | C28 | H28 | 109.9° | 109.5° |
| C25 | C28 | H28A | 109.9° | 109.5° |
| C28 | N31 | C33 | 125.9° | 116.3° |
| N31 | C28 | H28 | 109.9° | 109.5° |
| N31 | C28 | H28A | 109.9° | 109.5° |
| C28 | N31 | HN31 | 104.3° | 121.9° |
| N31 | C33 | C34 | 123.6° | 120.5° |
| N31 | C33 | C40 | 117.9° | 119.3° |
| C33 | N31 | HN31 | 104.3° | 121.8° |
| C34 | C33 | C40 | 118.5° | 120.2° |
| C33 | C34 | C36 | 121.0° | 119.9° |
| C33 | C34 | H34 | 119.5° | 120.0° |
| C33 | C40 | C39 | 121.3° | 120.1° |
| C33 | C40 | H40 | 119.4° | 120.0° |
| C34 | C36 | C37 | 119.7° | 119.5° |
| C34 | C36 | C50 | 119.2° | 120.4° |
| C36 | C34 | H34 | 119.5° | 120.1° |
| C37 | C36 | C50 | 121.1° | 120.1° |
| C36 | C37 | C39 | 120.2° | 120.1° |
| C36 | C37 | H37 | 119.9° | 119.9° |
| C36 | C50 | O51 | 117.5° | 120.4° |
| C37 | C39 | C40 | 119.4° | 120.2° |
| C37 | C39 | C42 | 120.1° | 119.9° |
| C39 | C37 | H37 | 119.9° | 120.0° |
| C40 | C39 | C42 | 120.6° | 119.9° |
| C39 | C40 | H40 | 119.3° | 119.9° |
| C39 | C42 | O45 | 107.0° | 109.4° |
| C39 | C42 | H42 | 110.3° | 109.5° |
| C39 | C42 | H42A | 110.3° | 109.5° |
| C42 | O45 | C46 | 113.6° | 114.0° |
| O45 | C42 | H42 | 110.3° | 109.5° |
| O45 | C42 | H42A | 110.3° | 109.5° |
| O45 | C46 | H46 | 109.5° | 109.5° |
| O45 | C46 | H46A | 109.5° | 109.5° |
| O45 | C46 | H46B | 109.5° | 109.5° |
| O54 | C52 | C56 | 105.8° | 109.5° |
| O54 | C52 | H52 | 111.8° | 109.4° |
| C52 | O54 | HO54 | 109.5° | 114.0° |
| C52 | C56 | N59 | 112.1° | 109.5° |
| C56 | C52 | H52 | 111.1° | 109.5° |
| C52 | C56 | H56 | 108.6° | 109.4° |
| C52 | C56 | H56A | 108.6° | 109.4° |
| C56 | N59 | C61 | 112.3° | 111.0° |
| N59 | C56 | H56 | 108.6° | 109.5° |
| N59 | C56 | H56A | 108.6° | 109.5° |
| C56 | N59 | HN59 | 108.5° | 111.0° |
| N59 | C61 | C62 | 113.4° | 117.5° |
| N59 | C61 | C65 | 116.2° | 117.5° |
| N59 | C61 | C68 | 119.1° | 115.5° |
| C61 | N59 | HN59 | 108.5° | 111.0° |
| C62 | C61 | C65 | 60.0° | 60.0° |
| C62 | C61 | C68 | 114.4° | 117.5° |
| C61 | C62 | C65 | 60.3° | 60.0° |
| C61 | C62 | H62 | 130.8° | 117.5° |
| C61 | C62 | H62A | 130.7° | 117.5° |
| C65 | C61 | C68 | 119.4° | 117.5° |
| C61 | C65 | C62 | 59.8° | 60.0° |
| C61 | C65 | H65 | 131.0° | 117.4° |
| C61 | C65 | H65A | 131.0° | 117.5° |
| C61 | C68 | C69 | 119.0° | 119.9° |
| C61 | C68 | C76 | 121.4° | 120.0° |
| C65 | C62 | H62 | 130.8° | 117.5° |
| C65 | C62 | H62A | 130.8° | 117.5° |
| C62 | C65 | H65 | 131.0° | 117.5° |
| C62 | C65 | H65A | 131.0° | 117.5° |
| C69 | C68 | C76 | 119.6° | 120.1° |
| C68 | C69 | C71 | 121.0° | 119.9° |
| C68 | C69 | H69 | 119.5° | 120.0° |
| C68 | C76 | C74 | 120.2° | 120.0° |
| C68 | C76 | H76 | 119.9° | 120.0° |
| C69 | C71 | C72 | 118.7° | 120.0° |
| C69 | C71 | C78 | 119.1° | 120.0° |
| C71 | C69 | H69 | 119.5° | 120.0° |
| C72 | C71 | C78 | 122.3° | 120.0° |
| C71 | C72 | C74 | 120.7° | 120.0° |
| C71 | C72 | H72 | 119.7° | 120.0° |
| C71 | C78 | C80 | 110.7° | 109.5° |
| C71 | C78 | C84 | 115.8° | 109.5° |
| C71 | C78 | H78 | 105.0° | 109.5° |
| C72 | C74 | C76 | 119.9° | 120.0° |
| C74 | C72 | H72 | 119.7° | 120.0° |
| C72 | C74 | H74 | 120.1° | 120.0° |
| C76 | C74 | H74 | 120.1° | 120.0° |
| C74 | C76 | H76 | 119.9° | 120.0° |
| C80 | C78 | C84 | 112.3° | 109.5° |
| C80 | C78 | H78 | 109.2° | 109.5° |
| C78 | C80 | H80 | 109.5° | 109.5° |
| C78 | C80 | H80A | 109.5° | 109.5° |
| C78 | C80 | H80B | 109.5° | 109.4° |
| C84 | C78 | H78 | 103.2° | 109.5° |
| C78 | C84 | H84 | 109.5° | 109.5° |
| C78 | C84 | H84A | 109.5° | 109.5° |
| C78 | C84 | H84B | 109.5° | 109.5° |
| H5 | C5 | H5A | 110.2° | 109.5° |
| H19 | C19 | H19A | 110.0° | 109.4° |
| H22 | C22 | H22A | 111.2° | 109.5° |
| H25 | C25 | H25A | 109.7° | 109.5° |
| H28 | C28 | H28A | 109.0° | 109.6° |
| H42 | C42 | H42A | 108.6° | 109.6° |
| H46 | C46 | H46A | 109.5° | 109.5° |
| H46 | C46 | H46B | 109.5° | 109.4° |
| H46A | C46 | H46B | 109.5° | 109.5° |
| H56 | C56 | H56A | 110.3° | 109.5° |
| H62 | C62 | H62A | 82.0° | 115.5° |
| H65 | C65 | H65A | 81.6° | 115.6° |
| H80 | C80 | H80A | 109.4° | 109.4° |
| H80 | C80 | H80B | 109.5° | 109.4° |
| H80A | C80 | H80B | 109.5° | 109.5° |
| H84 | C84 | H84A | 109.5° | 109.4° |
| H84 | C84 | H84B | 109.4° | 109.4° |
| H84A | C84 | H84B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | N1 | C50 | HN1 | 180.0° | 179.7° |
| N1 | C3 | C5 | C52 | 121.1° | 120.0° |
| N1 | C3 | C5 | H3 | 120.6° | 120.0° |
| N1 | C3 | C52 | H3 | 120.6° | 120.0° |
| N1 | C3 | C5 | C8 | 49.4° | 84.0° |
| C3 | N1 | C50 | C36 | 176.3° | 168.4° |
| C3 | N1 | C50 | O51 | 3.5° | 11.5° |
| N1 | C3 | C52 | O54 | 175.6° | 49.2° |
| N1 | C3 | C52 | C56 | 58.3° | 169.2° |
| N1 | C3 | C5 | H5 | 70.6° | 36.1° |
| N1 | C3 | C5 | H5A | 169.4° | 156.0° |
| N1 | C3 | C52 | H52 | 62.8° | 70.8° |
| C50 | N1 | C3 | C5 | 128.5° | 153.0° |
| C50 | N1 | C3 | C52 | 108.7° | 33.0° |
| N1 | C50 | C36 | C34 | 21.4° | 4.8° |
| N1 | C50 | C36 | C37 | 158.8° | 176.1° |
| N1 | C50 | C36 | O51 | 179.7° | 179.9° |
| C50 | N1 | C3 | H3 | 9.8° | 87.0° |
| C5 | C3 | C52 | H3 | 118.6° | 120.0° |
| C3 | C5 | C8 | H5 | 120.0° | 120.0° |
| C3 | C5 | C8 | H5A | 120.0° | 120.0° |
| C3 | C5 | C8 | C9 | 100.8° | 71.4° |
| C3 | C5 | C8 | C16 | 79.0° | 108.8° |
| C5 | C3 | C52 | O54 | 63.6° | 70.8° |
| C5 | C3 | C52 | C56 | 179.1° | 49.2° |
| C5 | C3 | N1 | HN1 | 51.5° | 26.7° |
| C3 | C5 | H5 | H5A | 119.1° | 119.9° |
| C5 | C3 | C52 | H52 | 57.9° | 169.2° |
| C52 | C3 | C5 | C8 | 170.4° | 156.0° |
| C3 | C52 | O54 | C56 | 120.5° | 120.0° |
| C3 | C52 | O54 | H52 | 118.4° | 120.0° |
| C3 | C52 | C56 | H52 | 118.4° | 120.1° |
| C3 | C52 | C56 | N59 | 169.6° | 173.6° |
| C52 | C3 | N1 | HN1 | 71.3° | 146.7° |
| C52 | C3 | C5 | H5 | 50.5° | 83.9° |
| C52 | C3 | C5 | H5A | 69.6° | 36.0° |
| C3 | C52 | O54 | HO54 | 180.0° | 60.0° |
| C3 | C52 | C56 | H56 | 70.4° | 53.6° |
| C3 | C52 | C56 | H56A | 49.6° | 66.4° |
| C5 | C8 | C9 | C16 | 179.8° | 179.8° |
| C5 | C8 | C9 | C11 | 179.9° | 179.9° |
| C5 | C8 | C16 | C14 | 179.7° | 179.9° |
| C8 | C5 | C3 | H3 | 71.2° | 36.0° |
| C8 | C5 | H5 | H5A | 119.1° | 119.9° |
| C5 | C8 | C9 | H9 | 0.1° | 0.1° |
| C5 | C8 | C16 | H16 | 0.3° | 0.2° |
| C8 | C9 | C11 | H9 | 180.0° | 180.0° |
| C8 | C9 | C11 | C12 | 0.2° | 0.0° |
| C8 | C9 | C11 | O18 | 179.8° | 179.3° |
| C9 | C8 | C16 | C14 | 0.1° | 0.2° |
| C9 | C8 | C5 | H5 | 19.2° | 48.6° |
| C9 | C8 | C5 | H5A | 139.2° | 168.5° |
| C9 | C8 | C16 | H16 | 179.9° | 180.0° |
| C16 | C8 | C9 | C11 | 0.1° | 0.3° |
| C8 | C16 | C14 | C12 | 0.2° | 0.4° |
| C8 | C16 | C14 | H16 | 180.0° | 179.9° |
| C16 | C8 | C5 | H5 | 161.1° | 131.2° |
| C16 | C8 | C5 | H5A | 41.0° | 11.2° |
| C16 | C8 | C9 | H9 | 179.9° | 179.7° |
| C8 | C16 | C14 | H14 | 179.9° | 179.6° |
| C9 | C11 | C12 | O18 | 180.0° | 179.3° |
| C9 | C11 | C12 | C14 | 0.1° | 0.6° |
| C9 | C11 | O18 | C19 | 14.9° | 59.3° |
| C9 | C11 | C12 | H12 | 179.8° | 179.3° |
| C11 | C12 | C14 | H12 | 180.0° | 179.9° |
| C11 | C12 | C14 | C16 | 0.1° | 0.7° |
| C12 | C11 | O18 | C19 | 165.1° | 121.4° |
| C12 | C11 | C9 | H9 | 179.8° | 179.9° |
| C11 | C12 | C14 | H14 | 180.0° | 179.2° |
| O18 | C11 | C12 | C14 | 179.8° | 178.8° |
| C11 | O18 | C19 | C22 | 142.7° | 118.5° |
| O18 | C11 | C9 | H9 | 0.2° | 0.7° |
| O18 | C11 | C12 | H12 | 0.2° | 1.4° |
| C11 | O18 | C19 | H19 | 22.7° | 121.4° |
| C11 | O18 | C19 | H19A | 97.3° | 1.5° |
| C12 | C14 | C16 | H14 | 180.0° | 179.9° |
| C12 | C14 | C16 | H16 | 179.8° | 179.5° |
| C16 | C14 | C12 | H12 | 180.0° | 179.2° |
| O18 | C19 | C22 | H19 | 120.0° | 120.1° |
| O18 | C19 | C22 | H19A | 120.0° | 120.0° |
| O18 | C19 | C22 | C25 | 53.7° | 153.9° |
| O18 | C19 | H19 | H19A | 119.2° | 119.9° |
| O18 | C19 | C22 | H22 | 173.7° | 33.9° |
| O18 | C19 | C22 | H22A | 66.2° | 86.1° |
| C19 | C22 | C25 | H22 | 120.0° | 120.0° |
| C19 | C22 | C25 | H22A | 120.0° | 120.0° |
| C19 | C22 | C25 | C28 | 83.1° | 160.8° |
| C22 | C19 | H19 | H19A | 119.3° | 119.9° |
| C19 | C22 | H22 | H22A | 117.8° | 120.0° |
| C19 | C22 | C25 | H25 | 156.9° | 79.2° |
| C19 | C22 | C25 | H25A | 37.0° | 40.9° |
| C22 | C25 | C28 | H25 | 120.0° | 119.9° |
| C22 | C25 | C28 | H25A | 120.0° | 120.0° |
| C22 | C25 | C28 | N31 | 176.6° | 176.3° |
| C25 | C22 | C19 | H19 | 66.3° | 86.0° |
| C25 | C22 | C19 | H19A | 173.7° | 33.9° |
| C25 | C22 | H22 | H22A | 117.8° | 120.1° |
| C22 | C25 | H25 | H25A | 119.6° | 120.1° |
| C22 | C25 | C28 | H28 | 56.6° | 56.5° |
| C22 | C25 | C28 | H28A | 63.4° | 63.8° |
| C25 | C28 | N31 | H28 | 120.0° | 119.9° |
| C25 | C28 | N31 | H28A | 120.0° | 119.9° |
| C25 | C28 | N31 | C33 | 88.9° | 76.9° |
| C28 | C25 | C22 | H22 | 36.9° | 40.9° |
| C28 | C25 | C22 | H22A | 157.0° | 79.2° |
| C28 | C25 | H25 | H25A | 119.6° | 120.0° |
| C25 | C28 | H28 | H28A | 120.5° | 120.2° |
| C25 | C28 | N31 | HN31 | 151.1° | 103.1° |
| C28 | N31 | C33 | HN31 | 120.0° | 180.0° |
| C28 | N31 | C33 | C34 | 11.3° | 10.2° |
| C28 | N31 | C33 | C40 | 169.1° | 169.1° |
| N31 | C28 | C25 | H25 | 63.3° | 63.7° |
| N31 | C28 | C25 | H25A | 56.6° | 56.3° |
| N31 | C28 | H28 | H28A | 120.5° | 120.2° |
| N31 | C33 | C34 | C40 | 179.7° | 179.3° |
| N31 | C33 | C34 | C36 | 179.6° | 178.9° |
| N31 | C33 | C40 | C39 | 179.6° | 179.9° |
| C33 | N31 | C28 | H28 | 31.0° | 43.0° |
| C33 | N31 | C28 | H28A | 151.0° | 163.3° |
| N31 | C33 | C34 | H34 | 0.4° | 1.1° |
| N31 | C33 | C40 | H40 | 0.4° | 0.1° |
| C33 | C34 | C36 | H34 | 180.0° | 180.0° |
| C33 | C34 | C36 | C37 | 0.0° | 1.9° |
| C33 | C34 | C36 | C50 | 179.9° | 177.2° |
| C34 | C33 | C40 | C39 | 0.1° | 0.6° |
| C34 | C33 | N31 | HN31 | 108.7° | 169.8° |
| C34 | C33 | C40 | H40 | 179.9° | 179.5° |
| C40 | C33 | C34 | C36 | 0.1° | 1.8° |
| C33 | C40 | C39 | C37 | 0.0° | 0.6° |
| C33 | C40 | C39 | H40 | 180.0° | 180.0° |
| C33 | C40 | C39 | C42 | 180.0° | 179.5° |
| C40 | C33 | N31 | HN31 | 70.9° | 10.9° |
| C40 | C33 | C34 | H34 | 179.9° | 178.2° |
| C34 | C36 | C37 | C50 | 179.9° | 179.1° |
| C34 | C36 | C37 | C39 | 0.2° | 0.8° |
| C34 | C36 | C50 | O51 | 158.4° | 175.1° |
| C34 | C36 | C37 | H37 | 179.9° | 179.2° |
| C36 | C37 | C39 | H37 | 180.0° | 180.0° |
| C36 | C37 | C39 | C40 | 0.2° | 0.4° |
| C36 | C37 | C39 | C42 | 179.9° | 179.6° |
| C37 | C36 | C50 | O51 | 21.5° | 4.0° |
| C37 | C36 | C34 | H34 | 180.0° | 178.1° |
| C50 | C36 | C37 | C39 | 179.7° | 178.3° |
| C36 | C50 | N1 | HN1 | 3.8° | 11.8° |
| C50 | C36 | C34 | H34 | 0.2° | 2.8° |
| C50 | C36 | C37 | H37 | 0.3° | 1.7° |
| C37 | C39 | C40 | C42 | 179.9° | 179.9° |
| C37 | C39 | C42 | O45 | 88.9° | 90.0° |
| C37 | C39 | C40 | H40 | 180.0° | 179.4° |
| C37 | C39 | C42 | H42 | 151.1° | 150.0° |
| C37 | C39 | C42 | H42A | 31.1° | 29.9° |
| C40 | C39 | C42 | O45 | 91.0° | 90.0° |
| C40 | C39 | C37 | H37 | 179.9° | 179.5° |
| C40 | C39 | C42 | H42 | 29.0° | 29.9° |
| C40 | C39 | C42 | H42A | 149.0° | 150.0° |
| C39 | C42 | O45 | H42 | 120.0° | 119.9° |
| C39 | C42 | O45 | H42A | 120.0° | 120.0° |
| C39 | C42 | O45 | C46 | 111.6° | 180.0° |
| C42 | C39 | C37 | H37 | 0.1° | 0.4° |
| C42 | C39 | C40 | H40 | 0.1° | 0.5° |
| C39 | C42 | H42 | H42A | 121.0° | 120.0° |
| O45 | C42 | H42 | H42A | 121.0° | 120.0° |
| C42 | O45 | C46 | H46 | 180.0° | 60.0° |
| C42 | O45 | C46 | H46A | 60.0° | 60.0° |
| C42 | O45 | C46 | H46B | 60.0° | 180.0° |
| C46 | O45 | C42 | H42 | 8.4° | 60.0° |
| C46 | O45 | C42 | H42A | 128.4° | 60.1° |
| O45 | C46 | H46 | H46A | 120.0° | 120.0° |
| O45 | C46 | H46 | H46B | 120.0° | 120.0° |
| O45 | C46 | H46A | H46B | 120.0° | 120.0° |
| O51 | C50 | N1 | HN1 | 176.5° | 168.2° |
| O54 | C52 | C56 | H52 | 121.5° | 119.9° |
| O54 | C52 | C56 | N59 | 49.5° | 66.4° |
| O54 | C52 | C3 | H3 | 55.0° | 169.2° |
| O54 | C52 | C56 | H56 | 169.6° | 173.6° |
| O54 | C52 | C56 | H56A | 70.5° | 53.6° |
| C52 | C56 | N59 | H56 | 120.0° | 120.0° |
| C52 | C56 | N59 | H56A | 120.0° | 120.0° |
| C52 | C56 | N59 | C61 | 157.8° | 174.7° |
| C56 | C52 | C3 | H3 | 62.3° | 70.8° |
| C56 | C52 | O54 | HO54 | 59.4° | 60.0° |
| C52 | C56 | H56 | H56A | 118.9° | 119.9° |
| C52 | C56 | N59 | HN59 | 37.8° | 61.3° |
| C56 | N59 | C61 | HN59 | 120.0° | 124.0° |
| C56 | N59 | C61 | C62 | 154.5° | 64.6° |
| C56 | N59 | C61 | C65 | 87.7° | 133.2° |
| C56 | N59 | C61 | C68 | 66.4° | 81.1° |
| N59 | C56 | C52 | H52 | 72.0° | 53.6° |
| N59 | C56 | H56 | H56A | 118.9° | 120.0° |
| N59 | C61 | C62 | C65 | 107.8° | 107.5° |
| N59 | C61 | C62 | C68 | 141.1° | 145.0° |
| N59 | C61 | C65 | C68 | 154.0° | 145.0° |
| N59 | C61 | C68 | C69 | 57.9° | 174.4° |
| N59 | C61 | C68 | C76 | 122.0° | 5.8° |
| C61 | N59 | C56 | H56 | 82.2° | 54.8° |
| C61 | N59 | C56 | H56A | 37.8° | 65.3° |
| N59 | C61 | C62 | H62 | 132.2° | 145.0° |
| N59 | C61 | C62 | H62A | 12.2° | 0.0° |
| N59 | C61 | C65 | H65 | 16.9° | 0.0° |
| N59 | C61 | C65 | H65A | 136.9° | 145.0° |
| C62 | C61 | C65 | C68 | 102.9° | 107.5° |
| C61 | C62 | C65 | H62 | 120.0° | 107.5° |
| C61 | C62 | C65 | H62A | 120.0° | 107.5° |
| C62 | C61 | C68 | C69 | 80.9° | 28.7° |
| C62 | C61 | C68 | C76 | 99.2° | 151.4° |
| C62 | C61 | N59 | HN59 | 85.5° | 59.4° |
| C61 | C62 | H62 | H62A | 138.5° | 145.7° |
| C62 | C61 | C65 | H65 | 120.0° | 107.5° |
| C62 | C61 | C65 | H65A | 120.0° | 107.5° |
| C65 | C61 | C68 | C69 | 148.8° | 39.9° |
| C65 | C61 | C68 | C76 | 31.3° | 139.9° |
| C65 | C61 | N59 | HN59 | 152.3° | 9.3° |
| C61 | C65 | H65 | H65A | 138.7° | 145.6° |
| C61 | C68 | C69 | C76 | 179.9° | 179.8° |
| C61 | C68 | C69 | C71 | 180.0° | 180.0° |
| C61 | C68 | C76 | C74 | 180.0° | 179.8° |
| C68 | C61 | N59 | HN59 | 53.6° | 155.0° |
| C68 | C61 | C62 | H62 | 8.9° | 0.0° |
| C68 | C61 | C62 | H62A | 128.9° | 145.0° |
| C68 | C61 | C65 | H65 | 137.1° | 145.0° |
| C68 | C61 | C65 | H65A | 17.1° | 0.0° |
| C61 | C68 | C69 | H69 | 0.0° | 0.0° |
| C61 | C68 | C76 | H76 | 0.0° | 0.1° |
| C65 | C62 | H62 | H62A | 138.5° | 145.7° |
| C62 | C65 | H65 | H65A | 138.6° | 145.8° |
| C68 | C69 | C71 | H69 | 180.0° | 180.0° |
| C68 | C69 | C71 | C72 | 0.1° | 0.0° |
| C68 | C69 | C71 | C78 | 179.9° | 180.0° |
| C69 | C68 | C76 | C74 | 0.1° | 0.4° |
| C69 | C68 | C76 | H76 | 179.9° | 179.7° |
| C76 | C68 | C69 | C71 | 0.1° | 0.2° |
| C68 | C76 | C74 | C72 | 0.1° | 0.4° |
| C68 | C76 | C74 | H76 | 180.0° | 179.9° |
| C76 | C68 | C69 | H69 | 179.9° | 179.8° |
| C68 | C76 | C74 | H74 | 179.9° | 179.8° |
| C69 | C71 | C72 | C78 | 180.0° | 180.0° |
| C69 | C71 | C72 | C74 | 0.1° | 0.0° |
| C69 | C71 | C78 | C80 | 88.9° | 120.0° |
| C69 | C71 | C78 | C84 | 40.3° | 120.0° |
| C69 | C71 | C72 | H72 | 179.8° | 180.0° |
| C69 | C71 | C78 | H78 | 153.4° | 0.1° |
| C71 | C72 | C74 | H72 | 180.0° | 180.0° |
| C71 | C72 | C74 | C76 | 0.1° | 0.2° |
| C72 | C71 | C78 | C80 | 91.0° | 60.0° |
| C72 | C71 | C78 | C84 | 139.7° | 60.0° |
| C72 | C71 | C69 | H69 | 179.9° | 180.0° |
| C71 | C72 | C74 | H74 | 179.8° | 180.0° |
| C72 | C71 | C78 | H78 | 26.7° | 179.9° |
| C78 | C71 | C72 | C74 | 179.9° | 180.0° |
| C71 | C78 | C80 | C84 | 131.1° | 120.0° |
| C71 | C78 | C80 | H78 | 115.1° | 120.0° |
| C71 | C78 | C84 | H78 | 114.1° | 120.0° |
| C78 | C71 | C69 | H69 | 0.1° | 0.0° |
| C78 | C71 | C72 | H72 | 0.1° | 0.0° |
| C71 | C78 | C80 | H80 | 180.0° | 60.0° |
| C71 | C78 | C80 | H80A | 60.0° | 180.0° |
| C71 | C78 | C80 | H80B | 60.0° | 60.0° |
| C71 | C78 | C84 | H84 | 180.0° | 60.0° |
| C71 | C78 | C84 | H84A | 60.0° | 180.0° |
| C71 | C78 | C84 | H84B | 60.0° | 59.9° |
| C72 | C74 | C76 | H74 | 180.0° | 179.8° |
| C72 | C74 | C76 | H76 | 179.9° | 179.7° |
| C76 | C74 | C72 | H72 | 179.8° | 179.8° |
| C80 | C78 | C84 | H78 | 117.4° | 120.0° |
| C78 | C80 | H80 | H80A | 120.0° | 120.1° |
| C78 | C80 | H80 | H80B | 120.0° | 120.0° |
| C78 | C80 | H80A | H80B | 120.0° | 120.0° |
| C80 | C78 | C84 | H84 | 51.6° | 180.0° |
| C80 | C78 | C84 | H84A | 68.4° | 60.0° |
| C80 | C78 | C84 | H84B | 171.5° | 60.1° |
| C84 | C78 | C80 | H80 | 48.9° | 60.0° |
| C84 | C78 | C80 | H80A | 168.9° | 60.0° |
| C84 | C78 | C80 | H80B | 71.1° | 180.0° |
| C78 | C84 | H84 | H84A | 120.0° | 120.0° |
| C78 | C84 | H84 | H84B | 120.0° | 120.0° |
| C78 | C84 | H84A | H84B | 120.0° | 120.1° |
| HN1 | N1 | C3 | H3 | 170.3° | 93.3° |
| H3 | C3 | C5 | H5 | 168.8° | 156.1° |
| H3 | C3 | C5 | H5A | 48.8° | 84.0° |
| H3 | C3 | C52 | H52 | 176.6° | 49.2° |
| H12 | C12 | C14 | H14 | 0.0° | 0.9° |
| H14 | C14 | C16 | H16 | 0.1° | 0.5° |
| H19 | C19 | C22 | H22 | 53.7° | 154.0° |
| H19 | C19 | C22 | H22A | 173.7° | 34.0° |
| H19A | C19 | C22 | H22 | 66.3° | 86.1° |
| H19A | C19 | C22 | H22A | 53.8° | 153.9° |
| H22 | C22 | C25 | H25 | 83.1° | 160.8° |
| H22 | C22 | C25 | H25A | 156.9° | 79.1° |
| H22A | C22 | C25 | H25 | 36.9° | 40.7° |
| H22A | C22 | C25 | H25A | 83.0° | 160.8° |
| H25 | C25 | C28 | H28 | 176.6° | 176.4° |
| H25 | C25 | C28 | H28A | 56.7° | 56.1° |
| H25A | C25 | C28 | H28 | 63.4° | 63.6° |
| H25A | C25 | C28 | H28A | 176.6° | 176.2° |
| H28 | C28 | N31 | HN31 | 88.9° | 137.0° |
| H28A | C28 | N31 | HN31 | 31.1° | 16.8° |
| H46 | C46 | H46A | H46B | 120.0° | 119.9° |
| H52 | C52 | O54 | HO54 | 61.6° | 180.0° |
| H52 | C52 | C56 | H56 | 48.0° | 66.5° |
| H52 | C52 | C56 | H56A | 168.0° | 173.6° |
| H56 | C56 | N59 | HN59 | 157.8° | 178.7° |
| H56A | C56 | N59 | HN59 | 82.2° | 58.7° |
| H62 | C62 | C65 | H65 | 119.9° | 145.1° |
| H62 | C62 | C65 | H65A | 0.0° | 0.1° |
| H62A | C62 | C65 | H65 | 0.0° | 0.0° |
| H62A | C62 | C65 | H65A | 120.0° | 145.1° |
| H72 | C72 | C74 | H74 | 0.2° | 0.0° |
| H74 | C74 | C76 | H76 | 0.2° | 0.1° |
| H78 | C78 | C80 | H80 | 64.9° | 180.0° |
| H78 | C78 | C80 | H80A | 55.1° | 60.0° |
| H78 | C78 | C80 | H80B | 175.1° | 60.0° |
| H78 | C78 | C84 | H84 | 65.9° | 60.0° |
| H78 | C78 | C84 | H84A | 174.1° | 60.0° |
| H78 | C78 | C84 | H84B | 54.1° | 179.9° |
| H80 | C80 | H80A | H80B | 120.0° | 119.9° |
| H84 | C84 | H84A | H84B | 120.0° | 119.9° |
