A1DBR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O37 | C34 | doub | 1.21Å | 1.23Å | |
| C34 | N33 | sing | 1.34Å | 1.37Å | |
| C34 | C35 | sing | 1.51Å | 1.50Å | |
| N33 | C32 | sing | 1.34Å | 1.36Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C32 | O38 | doub | 1.21Å | 1.23Å | |
| C32 | C31 | sing | 1.51Å | 1.51Å | |
| C31 | C36 | sing | 1.53Å | 1.53Å | |
| C31 | N30 | sing | 1.47Å | 1.45Å | |
| O40 | C39 | doub | 1.21Å | 1.22Å | |
| C39 | N30 | sing | 1.34Å | 1.36Å | |
| C39 | C41 | sing | 1.48Å | 1.48Å | |
| N30 | C29 | sing | 1.47Å | 1.47Å | |
| C29 | C28 | sing | 1.51Å | 1.50Å | |
| C41 | C42 | doub | 1.40Å | 1.39Å | Aromatic |
| C41 | C28 | sing | 1.40Å | 1.38Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.37Å | 1.39Å | Aromatic |
| C14 | N13 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| N13 | C12 | sing | 1.33Å | 1.34Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | N4 | sing | 1.46Å | 1.45Å | |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| C12 | N4 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| N4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.47Å | 1.45Å | Aromatic |
| C43 | C26 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.48Å | 1.50Å | |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | N17 | sing | 1.35Å | 1.33Å | |
| N17 | C18 | sing | 1.47Å | 1.45Å | |
| C25 | N24 | sing | 1.35Å | 1.33Å | |
| C25 | O44 | doub | 1.21Å | 1.23Å | |
| C46 | C45 | doub | 1.38Å | 1.38Å | Aromatic |
| C46 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| N24 | C23 | sing | 1.46Å | 1.45Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.08Å | 1.08Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C35 | H19 | sing | 1.09Å | 1.10Å | |
| C35 | H20 | sing | 1.09Å | 1.10Å | |
| C36 | H21 | sing | 1.09Å | 1.10Å | |
| C36 | H22 | sing | 1.09Å | 1.10Å | |
| C42 | H23 | sing | 1.08Å | 1.08Å | |
| C43 | H24 | sing | 1.08Å | 1.08Å | |
| C45 | H25 | sing | 1.08Å | 1.08Å | |
| C46 | H26 | sing | 1.08Å | 1.08Å | |
| C9 | H27 | sing | 1.08Å | 1.08Å | |
| N17 | H28 | sing | 0.97Å | 1.00Å | |
| N24 | H29 | sing | 0.97Å | 1.00Å | |
| N33 | H30 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O37 | C34 | N33 | 120.4° | 119.3° |
| O37 | C34 | C35 | 122.9° | 119.3° |
| N33 | C34 | C35 | 116.7° | 121.3° |
| C34 | N33 | C32 | 126.5° | 122.5° |
| C34 | N33 | H30 | 116.8° | 118.8° |
| C34 | C35 | C36 | 111.6° | 109.2° |
| C34 | C35 | H19 | 108.9° | 109.5° |
| C34 | C35 | H20 | 108.9° | 109.6° |
| N33 | C32 | O38 | 121.7° | 119.4° |
| N33 | C32 | C31 | 117.2° | 121.3° |
| C32 | N33 | H30 | 116.7° | 118.7° |
| C35 | C36 | C31 | 110.0° | 108.6° |
| C36 | C35 | H19 | 108.9° | 109.5° |
| C36 | C35 | H20 | 108.9° | 109.5° |
| C35 | C36 | H21 | 109.3° | 109.6° |
| C35 | C36 | H22 | 109.3° | 109.6° |
| O38 | C32 | C31 | 121.1° | 119.4° |
| C32 | C31 | C36 | 111.9° | 109.1° |
| C32 | C31 | N30 | 109.6° | 109.6° |
| C32 | C31 | H18 | 106.8° | 109.6° |
| C36 | C31 | N30 | 114.0° | 109.5° |
| C36 | C31 | H18 | 106.7° | 109.5° |
| C31 | C36 | H21 | 109.4° | 109.6° |
| C31 | C36 | H22 | 109.3° | 109.6° |
| C31 | N30 | C39 | 122.7° | 125.6° |
| C31 | N30 | C29 | 123.9° | 125.6° |
| N30 | C31 | H18 | 107.5° | 109.5° |
| O40 | C39 | N30 | 125.1° | 124.9° |
| O40 | C39 | C41 | 128.7° | 124.9° |
| N30 | C39 | C41 | 106.3° | 110.2° |
| C39 | N30 | C29 | 113.3° | 108.8° |
| C39 | C41 | C42 | 131.1° | 132.2° |
| C39 | C41 | C28 | 108.8° | 108.2° |
| N30 | C29 | C28 | 102.1° | 106.3° |
| N30 | C29 | H14 | 111.3° | 110.1° |
| N30 | C29 | H15 | 111.3° | 110.1° |
| C29 | C28 | C41 | 109.6° | 106.4° |
| C29 | C28 | C27 | 130.1° | 133.0° |
| C28 | C29 | H14 | 111.3° | 110.1° |
| C28 | C29 | H15 | 111.3° | 110.1° |
| C42 | C41 | C28 | 120.1° | 119.6° |
| C41 | C42 | C43 | 119.5° | 120.0° |
| C41 | C42 | H23 | 120.3° | 120.0° |
| C41 | C28 | C27 | 120.3° | 120.5° |
| C42 | C43 | C26 | 120.7° | 120.2° |
| C43 | C42 | H23 | 120.3° | 120.0° |
| C42 | C43 | H24 | 119.6° | 120.0° |
| C28 | C27 | C26 | 120.3° | 119.8° |
| C28 | C27 | H13 | 119.8° | 120.1° |
| N13 | C14 | C15 | 124.1° | 121.5° |
| C14 | N13 | C12 | 115.8° | 121.8° |
| N13 | C14 | H7 | 117.9° | 119.2° |
| C14 | C15 | C16 | 119.1° | 119.3° |
| C14 | C15 | H4 | 120.5° | 120.3° |
| C15 | C14 | H7 | 118.0° | 119.3° |
| N13 | C12 | N4 | 125.8° | 132.0° |
| N13 | C12 | C11 | 125.2° | 119.7° |
| C15 | C16 | C11 | 119.0° | 118.1° |
| C16 | C15 | H4 | 120.4° | 120.4° |
| C15 | C16 | H8 | 120.5° | 120.9° |
| N4 | C3 | C2 | 114.2° | 109.5° |
| C3 | N4 | C12 | 125.8° | 124.8° |
| C3 | N4 | C5 | 125.6° | 124.8° |
| N4 | C3 | H16 | 108.3° | 109.5° |
| N4 | C3 | H17 | 108.3° | 109.4° |
| C3 | C2 | O1 | 121.2° | 120.0° |
| C3 | C2 | N17 | 115.5° | 120.0° |
| C2 | C3 | H16 | 108.3° | 109.6° |
| C2 | C3 | H17 | 108.3° | 109.5° |
| N4 | C12 | C11 | 109.0° | 108.2° |
| C12 | N4 | C5 | 108.6° | 110.4° |
| C12 | C11 | C16 | 116.8° | 119.6° |
| C12 | C11 | C10 | 106.4° | 106.6° |
| N4 | C5 | C10 | 109.2° | 108.3° |
| N4 | C5 | C6 | 129.4° | 132.3° |
| C16 | C11 | C10 | 136.7° | 133.8° |
| C11 | C16 | H8 | 120.5° | 120.9° |
| C11 | C10 | C5 | 106.8° | 106.4° |
| C11 | C10 | C9 | 134.2° | 133.6° |
| C43 | C26 | C27 | 119.1° | 119.9° |
| C43 | C26 | C25 | 121.8° | 120.1° |
| C26 | C43 | H24 | 119.6° | 119.9° |
| C10 | C5 | C6 | 121.4° | 119.3° |
| C5 | C10 | C9 | 119.0° | 120.0° |
| C5 | C6 | C7 | 118.5° | 120.1° |
| C5 | C6 | H1 | 120.8° | 120.0° |
| C27 | C26 | C25 | 118.9° | 120.1° |
| C26 | C27 | H13 | 119.9° | 120.1° |
| C10 | C9 | C8 | 119.7° | 119.8° |
| C10 | C9 | H27 | 120.2° | 120.1° |
| C6 | C7 | C8 | 120.7° | 120.5° |
| C7 | C6 | H1 | 120.7° | 120.0° |
| C6 | C7 | H2 | 119.7° | 119.7° |
| C9 | C8 | C7 | 120.7° | 120.3° |
| C9 | C8 | H3 | 119.6° | 119.8° |
| C8 | C9 | H27 | 120.2° | 120.2° |
| C26 | C25 | N24 | 116.6° | 120.0° |
| C26 | C25 | O44 | 121.0° | 120.0° |
| C8 | C7 | H2 | 119.6° | 119.8° |
| C7 | C8 | H3 | 119.6° | 119.9° |
| O1 | C2 | N17 | 123.3° | 120.0° |
| C2 | N17 | C18 | 122.0° | 120.0° |
| C2 | N17 | H28 | 119.0° | 120.0° |
| N17 | C18 | C19 | 112.1° | 109.5° |
| N17 | C18 | H9 | 108.8° | 109.5° |
| N17 | C18 | H10 | 108.8° | 109.5° |
| C18 | N17 | H28 | 119.0° | 120.0° |
| N24 | C25 | O44 | 122.4° | 120.0° |
| C25 | N24 | C23 | 121.8° | 120.0° |
| C25 | N24 | H29 | 119.1° | 120.0° |
| C45 | C46 | C19 | 120.9° | 120.0° |
| C46 | C45 | C22 | 121.0° | 120.0° |
| C46 | C45 | H25 | 119.5° | 120.0° |
| C45 | C46 | H26 | 119.5° | 120.0° |
| C46 | C19 | C18 | 120.7° | 120.0° |
| C46 | C19 | C20 | 118.1° | 120.0° |
| C19 | C46 | H26 | 119.5° | 120.0° |
| C45 | C22 | C23 | 120.8° | 120.0° |
| C45 | C22 | C21 | 118.0° | 120.0° |
| C22 | C45 | H25 | 119.5° | 120.0° |
| N24 | C23 | C22 | 111.9° | 109.4° |
| N24 | C23 | H11 | 108.9° | 109.4° |
| N24 | C23 | H12 | 108.9° | 109.4° |
| C23 | N24 | H29 | 119.1° | 120.0° |
| C18 | C19 | C20 | 121.1° | 120.1° |
| C19 | C18 | H9 | 108.8° | 109.5° |
| C19 | C18 | H10 | 108.8° | 109.5° |
| C19 | C20 | C21 | 121.0° | 120.0° |
| C19 | C20 | H5 | 119.5° | 120.0° |
| C23 | C22 | C21 | 121.2° | 120.0° |
| C22 | C23 | H11 | 108.9° | 109.5° |
| C22 | C23 | H12 | 108.8° | 109.5° |
| C22 | C21 | C20 | 121.0° | 120.0° |
| C22 | C21 | H6 | 119.5° | 120.0° |
| C21 | C20 | H5 | 119.5° | 120.0° |
| C20 | C21 | H6 | 119.5° | 120.0° |
| H9 | C18 | H10 | 109.5° | 109.5° |
| H11 | C23 | H12 | 109.5° | 109.5° |
| H14 | C29 | H15 | 109.5° | 110.2° |
| H16 | C3 | H17 | 109.5° | 109.4° |
| H19 | C35 | H20 | 109.5° | 109.6° |
| H21 | C36 | H22 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O37 | C34 | N33 | C35 | 179.3° | 179.9° |
| O37 | C34 | N33 | C32 | 161.6° | 179.4° |
| O37 | C34 | C35 | C36 | 142.4° | 150.9° |
| O37 | C34 | C35 | H19 | 22.1° | 89.2° |
| O37 | C34 | C35 | H20 | 97.3° | 31.0° |
| O37 | C34 | N33 | H30 | 18.4° | 0.6° |
| C34 | N33 | C32 | H30 | 180.0° | 180.0° |
| N33 | C34 | C35 | C36 | 36.9° | 29.0° |
| C34 | N33 | C32 | O38 | 164.7° | 179.5° |
| C34 | N33 | C32 | C31 | 15.1° | 0.6° |
| N33 | C34 | C35 | H19 | 157.2° | 90.8° |
| N33 | C34 | C35 | H20 | 83.4° | 149.0° |
| C35 | C34 | N33 | C32 | 17.7° | 0.5° |
| C34 | C35 | C36 | H19 | 120.3° | 119.9° |
| C34 | C35 | C36 | H20 | 120.3° | 120.0° |
| C34 | C35 | C36 | C31 | 53.8° | 55.6° |
| C34 | C35 | H19 | H20 | 119.0° | 120.2° |
| C34 | C35 | C36 | H21 | 66.2° | 64.1° |
| C34 | C35 | C36 | H22 | 173.9° | 175.3° |
| C35 | C34 | N33 | H30 | 162.3° | 179.4° |
| N33 | C32 | O38 | C31 | 179.8° | 180.0° |
| N33 | C32 | C31 | C36 | 31.8° | 29.1° |
| N33 | C32 | C31 | N30 | 159.3° | 90.8° |
| N33 | C32 | C31 | H18 | 84.5° | 149.1° |
| C35 | C36 | C31 | C32 | 51.2° | 55.6° |
| C35 | C36 | C31 | H21 | 120.1° | 119.7° |
| C35 | C36 | C31 | H22 | 120.1° | 119.8° |
| C35 | C36 | C31 | N30 | 176.2° | 64.3° |
| C35 | C36 | C31 | H18 | 65.3° | 175.6° |
| C36 | C35 | H19 | H20 | 119.0° | 120.1° |
| C35 | C36 | H21 | H22 | 119.7° | 120.5° |
| O38 | C32 | C31 | C36 | 147.9° | 150.9° |
| O38 | C32 | C31 | N30 | 20.5° | 89.2° |
| O38 | C32 | C31 | H18 | 95.7° | 31.0° |
| O38 | C32 | N33 | H30 | 15.3° | 0.6° |
| C32 | C31 | C36 | N30 | 125.1° | 119.9° |
| C32 | C31 | C36 | H18 | 116.4° | 120.0° |
| C32 | C31 | N30 | H18 | 115.7° | 120.2° |
| C32 | C31 | N30 | C39 | 95.5° | 139.0° |
| C32 | C31 | N30 | C29 | 81.7° | 41.0° |
| C32 | C31 | C36 | H21 | 68.9° | 64.1° |
| C32 | C31 | C36 | H22 | 171.2° | 175.4° |
| C31 | C32 | N33 | H30 | 164.9° | 179.4° |
| C36 | C31 | N30 | H18 | 118.0° | 120.1° |
| C36 | C31 | N30 | C39 | 138.3° | 101.3° |
| C36 | C31 | N30 | C29 | 44.5° | 78.6° |
| C31 | C36 | C35 | H19 | 174.1° | 64.3° |
| C31 | C36 | C35 | H20 | 66.5° | 175.5° |
| C31 | C36 | H21 | H22 | 119.8° | 120.5° |
| C31 | N30 | C39 | O40 | 3.1° | 0.1° |
| C31 | N30 | C39 | C29 | 177.5° | 180.0° |
| C31 | N30 | C39 | C41 | 177.1° | 179.9° |
| C31 | N30 | C29 | C28 | 177.0° | 180.0° |
| C31 | N30 | C29 | H14 | 58.2° | 60.8° |
| C31 | N30 | C29 | H15 | 64.2° | 60.8° |
| N30 | C31 | C36 | H21 | 56.1° | 176.0° |
| N30 | C31 | C36 | H22 | 63.7° | 55.4° |
| O40 | C39 | N30 | C41 | 179.8° | 180.0° |
| O40 | C39 | N30 | C29 | 179.5° | 179.9° |
| O40 | C39 | C41 | C42 | 2.8° | 0.4° |
| O40 | C39 | C41 | C28 | 179.7° | 179.9° |
| C39 | N30 | C29 | C28 | 0.4° | 0.0° |
| N30 | C39 | C41 | C42 | 177.4° | 179.6° |
| N30 | C39 | C41 | C28 | 0.2° | 0.1° |
| C39 | N30 | C29 | H14 | 119.2° | 119.1° |
| C39 | N30 | C29 | H15 | 118.4° | 119.2° |
| C39 | N30 | C31 | H18 | 20.3° | 18.8° |
| C41 | C39 | N30 | C29 | 0.4° | 0.1° |
| C39 | C41 | C28 | C29 | 0.1° | 0.0° |
| C39 | C41 | C42 | C28 | 177.3° | 179.7° |
| C39 | C41 | C42 | C43 | 177.3° | 180.0° |
| C39 | C41 | C28 | C27 | 177.9° | 180.0° |
| C39 | C41 | C42 | H23 | 2.7° | 0.1° |
| N30 | C29 | C28 | H14 | 118.8° | 119.2° |
| N30 | C29 | C28 | H15 | 118.8° | 119.2° |
| N30 | C29 | C28 | C41 | 0.3° | 0.0° |
| N30 | C29 | C28 | C27 | 177.5° | 180.0° |
| N30 | C29 | H14 | H15 | 123.4° | 121.6° |
| C29 | N30 | C31 | H18 | 162.5° | 161.2° |
| C29 | C28 | C41 | C42 | 178.0° | 179.7° |
| C29 | C28 | C41 | C27 | 178.0° | 180.0° |
| C29 | C28 | C27 | C26 | 177.3° | 180.0° |
| C29 | C28 | C27 | H13 | 2.7° | 0.1° |
| C28 | C29 | H14 | H15 | 123.4° | 121.6° |
| C41 | C42 | C43 | H23 | 180.0° | 179.9° |
| C42 | C41 | C28 | C27 | 0.1° | 0.3° |
| C41 | C42 | C43 | C26 | 0.1° | 0.1° |
| C41 | C42 | C43 | H24 | 179.9° | 179.9° |
| C28 | C41 | C42 | C43 | 0.0° | 0.3° |
| C41 | C28 | C27 | C26 | 0.3° | 0.0° |
| C41 | C28 | C27 | H13 | 179.7° | 180.0° |
| C41 | C28 | C29 | H14 | 119.1° | 119.2° |
| C41 | C28 | C29 | H15 | 118.5° | 119.2° |
| C28 | C41 | C42 | H23 | 180.0° | 179.7° |
| C42 | C43 | C26 | H24 | 180.0° | 180.0° |
| C42 | C43 | C26 | C27 | 0.3° | 0.2° |
| C42 | C43 | C26 | C25 | 175.8° | 180.0° |
| C28 | C27 | C26 | C43 | 0.4° | 0.3° |
| C28 | C27 | C26 | H13 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 175.9° | 180.0° |
| C27 | C28 | C29 | H14 | 58.7° | 60.8° |
| C27 | C28 | C29 | H15 | 63.7° | 60.8° |
| N13 | C14 | C15 | H7 | 180.0° | 179.4° |
| N13 | C14 | C15 | C16 | 0.1° | 0.5° |
| C14 | N13 | C12 | N4 | 178.4° | 180.0° |
| C14 | N13 | C12 | C11 | 0.1° | 0.4° |
| N13 | C14 | C15 | H4 | 179.9° | 179.7° |
| C15 | C14 | N13 | C12 | 0.1° | 0.6° |
| C14 | C15 | C16 | H4 | 180.0° | 179.8° |
| C14 | C15 | C16 | C11 | 0.1° | 0.2° |
| C14 | C15 | C16 | H8 | 179.8° | 179.8° |
| N13 | C12 | N4 | C3 | 0.5° | 0.5° |
| N13 | C12 | N4 | C11 | 178.7° | 179.6° |
| N13 | C12 | N4 | C5 | 178.7° | 180.0° |
| N13 | C12 | C11 | C16 | 0.1° | 0.1° |
| N13 | C12 | C11 | C10 | 178.7° | 179.9° |
| C12 | N13 | C14 | H7 | 179.9° | 180.0° |
| C15 | C16 | C11 | C12 | 0.1° | 0.0° |
| C15 | C16 | C11 | H8 | 180.0° | 179.9° |
| C15 | C16 | C11 | C10 | 178.1° | 180.0° |
| C16 | C15 | C14 | H7 | 179.9° | 179.8° |
| N4 | C3 | C2 | H16 | 120.7° | 120.0° |
| N4 | C3 | C2 | H17 | 120.7° | 120.0° |
| C3 | N4 | C12 | C5 | 178.2° | 179.5° |
| C3 | N4 | C12 | C11 | 178.2° | 180.0° |
| C3 | N4 | C5 | C10 | 178.1° | 180.0° |
| C3 | N4 | C5 | C6 | 1.3° | 0.4° |
| N4 | C3 | C2 | O1 | 136.9° | 0.1° |
| N4 | C3 | C2 | N17 | 43.0° | 180.0° |
| N4 | C3 | H16 | H17 | 117.8° | 119.9° |
| C2 | C3 | N4 | C12 | 110.5° | 90.0° |
| C2 | C3 | N4 | C5 | 71.6° | 89.5° |
| C3 | C2 | O1 | N17 | 179.8° | 179.9° |
| C3 | C2 | N17 | C18 | 178.2° | 180.0° |
| C2 | C3 | H16 | H17 | 117.9° | 120.0° |
| C3 | C2 | N17 | H28 | 1.8° | 0.1° |
| N4 | C12 | C11 | C16 | 178.6° | 179.8° |
| N4 | C12 | C11 | C10 | 0.0° | 0.3° |
| C12 | N4 | C5 | C10 | 0.1° | 0.4° |
| C12 | N4 | C5 | C6 | 179.5° | 179.9° |
| C12 | N4 | C3 | H16 | 128.8° | 30.1° |
| C12 | N4 | C3 | H17 | 10.2° | 150.0° |
| C11 | C12 | N4 | C5 | 0.0° | 0.4° |
| C12 | C11 | C16 | C10 | 178.0° | 180.0° |
| C12 | C11 | C10 | C5 | 0.1° | 0.0° |
| C12 | C11 | C10 | C9 | 179.4° | 180.0° |
| C12 | C11 | C16 | H8 | 179.8° | 179.9° |
| N4 | C5 | C10 | C11 | 0.1° | 0.3° |
| N4 | C5 | C10 | C6 | 179.5° | 179.7° |
| N4 | C5 | C10 | C9 | 179.5° | 179.7° |
| N4 | C5 | C6 | C7 | 179.4° | 179.7° |
| N4 | C5 | C6 | H1 | 0.6° | 0.4° |
| C5 | N4 | C3 | H16 | 49.2° | 150.4° |
| C5 | N4 | C3 | H17 | 167.8° | 30.5° |
| C16 | C11 | C10 | C5 | 178.2° | 180.0° |
| C16 | C11 | C10 | C9 | 1.3° | 0.0° |
| C11 | C16 | C15 | H4 | 179.9° | 180.0° |
| C11 | C10 | C5 | C9 | 179.6° | 180.0° |
| C11 | C10 | C5 | C6 | 179.6° | 180.0° |
| C11 | C10 | C9 | C8 | 179.4° | 180.0° |
| C10 | C11 | C16 | H8 | 1.9° | 0.1° |
| C11 | C10 | C9 | H27 | 0.6° | 0.1° |
| C43 | C26 | C27 | C25 | 176.3° | 179.8° |
| C43 | C26 | C25 | N24 | 10.4° | 0.2° |
| C43 | C26 | C25 | O44 | 169.3° | 179.7° |
| C43 | C26 | C27 | H13 | 179.6° | 179.8° |
| C26 | C43 | C42 | H23 | 179.9° | 180.0° |
| C10 | C5 | C6 | C7 | 0.0° | 0.1° |
| C5 | C10 | C9 | C8 | 0.0° | 0.0° |
| C10 | C5 | C6 | H1 | 180.0° | 180.0° |
| C5 | C10 | C9 | H27 | 179.9° | 179.9° |
| C6 | C5 | C10 | C9 | 0.0° | 0.0° |
| C5 | C6 | C7 | H1 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.0° | 0.1° |
| C5 | C6 | C7 | H2 | 180.0° | 180.0° |
| C27 | C26 | C25 | N24 | 165.8° | 180.0° |
| C27 | C26 | C25 | O44 | 14.5° | 0.1° |
| C27 | C26 | C43 | H24 | 179.7° | 179.8° |
| C10 | C9 | C8 | H27 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.0° | 0.0° |
| C10 | C9 | C8 | H3 | 179.9° | 180.0° |
| C6 | C7 | C8 | C9 | 0.0° | 0.0° |
| C6 | C7 | C8 | H2 | 180.0° | 179.9° |
| C6 | C7 | C8 | H3 | 180.0° | 180.0° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C9 | C8 | C7 | H2 | 180.0° | 180.0° |
| C26 | C25 | N24 | O44 | 179.7° | 179.9° |
| C26 | C25 | N24 | C23 | 177.1° | 180.0° |
| C25 | C26 | C27 | H13 | 4.1° | 0.0° |
| C25 | C26 | C43 | H24 | 4.2° | 0.0° |
| C26 | C25 | N24 | H29 | 2.9° | 0.1° |
| C8 | C7 | C6 | H1 | 180.0° | 180.0° |
| C7 | C8 | C9 | H27 | 179.9° | 179.9° |
| O1 | C2 | N17 | C18 | 2.0° | 0.1° |
| O1 | C2 | C3 | H16 | 16.1° | 120.0° |
| O1 | C2 | C3 | H17 | 102.5° | 120.0° |
| O1 | C2 | N17 | H28 | 178.0° | 180.0° |
| C2 | N17 | C18 | H28 | 180.0° | 180.0° |
| C2 | N17 | C18 | C19 | 105.9° | 180.0° |
| C2 | N17 | C18 | H9 | 133.7° | 59.9° |
| C2 | N17 | C18 | H10 | 14.5° | 60.0° |
| N17 | C2 | C3 | H16 | 163.7° | 59.9° |
| N17 | C2 | C3 | H17 | 77.7° | 60.1° |
| N17 | C18 | C19 | C46 | 50.9° | 90.0° |
| N17 | C18 | C19 | H9 | 120.4° | 120.0° |
| N17 | C18 | C19 | H10 | 120.4° | 120.0° |
| N17 | C18 | C19 | C20 | 126.3° | 90.0° |
| N17 | C18 | H9 | H10 | 118.8° | 120.0° |
| C25 | N24 | C23 | H29 | 180.0° | 180.0° |
| C25 | N24 | C23 | C22 | 120.1° | 180.0° |
| C25 | N24 | C23 | H11 | 0.2° | 60.0° |
| C25 | N24 | C23 | H12 | 119.5° | 60.0° |
| O44 | C25 | N24 | C23 | 3.2° | 0.0° |
| O44 | C25 | N24 | H29 | 176.8° | 180.0° |
| C45 | C46 | C19 | H26 | 180.0° | 179.2° |
| C46 | C45 | C22 | H25 | 180.0° | 179.4° |
| C45 | C46 | C19 | C18 | 177.2° | 179.4° |
| C45 | C46 | C19 | C20 | 0.0° | 0.5° |
| C46 | C45 | C22 | C23 | 178.3° | 179.5° |
| C46 | C45 | C22 | C21 | 0.1° | 0.6° |
| C19 | C46 | C45 | C22 | 0.1° | 0.8° |
| C46 | C19 | C18 | C20 | 177.1° | 180.0° |
| C46 | C19 | C20 | C21 | 0.0° | 0.0° |
| C46 | C19 | C20 | H5 | 180.0° | 179.7° |
| C46 | C19 | C18 | H9 | 171.2° | 30.0° |
| C46 | C19 | C18 | H10 | 69.5° | 150.0° |
| C19 | C46 | C45 | H25 | 179.9° | 179.7° |
| C45 | C22 | C23 | N24 | 24.4° | 90.0° |
| C45 | C22 | C23 | C21 | 178.3° | 179.9° |
| C45 | C22 | C21 | C20 | 0.1° | 0.0° |
| C45 | C22 | C21 | H6 | 179.9° | 179.9° |
| C45 | C22 | C23 | H11 | 96.0° | 29.9° |
| C45 | C22 | C23 | H12 | 144.7° | 150.0° |
| C22 | C45 | C46 | H26 | 179.9° | 180.0° |
| N24 | C23 | C22 | H11 | 120.3° | 120.0° |
| N24 | C23 | C22 | H12 | 120.4° | 120.0° |
| N24 | C23 | C22 | C21 | 153.9° | 90.0° |
| N24 | C23 | H11 | H12 | 118.9° | 120.0° |
| C18 | C19 | C20 | C21 | 177.2° | 180.0° |
| C18 | C19 | C20 | H5 | 2.8° | 0.3° |
| C19 | C18 | H9 | H10 | 118.8° | 120.0° |
| C18 | C19 | C46 | H26 | 2.8° | 0.3° |
| C19 | C18 | N17 | H28 | 74.1° | 0.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.3° |
| C19 | C20 | C21 | H5 | 180.0° | 179.7° |
| C19 | C20 | C21 | H6 | 180.0° | 179.7° |
| C20 | C19 | C18 | H9 | 5.9° | 150.0° |
| C20 | C19 | C18 | H10 | 113.3° | 30.0° |
| C20 | C19 | C46 | H26 | 180.0° | 179.7° |
| C23 | C22 | C21 | C20 | 178.3° | 179.9° |
| C23 | C22 | C21 | H6 | 1.7° | 0.0° |
| C22 | C23 | H11 | H12 | 118.9° | 120.1° |
| C23 | C22 | C45 | H25 | 1.7° | 0.0° |
| C22 | C23 | N24 | H29 | 59.8° | 0.0° |
| C22 | C21 | C20 | H6 | 180.0° | 179.9° |
| C22 | C21 | C20 | H5 | 179.9° | 180.0° |
| C21 | C22 | C23 | H11 | 85.7° | 150.0° |
| C21 | C22 | C23 | H12 | 33.6° | 30.0° |
| C21 | C22 | C45 | H25 | 179.9° | 180.0° |
| H1 | C6 | C7 | H2 | 0.0° | 0.0° |
| H2 | C7 | C8 | H3 | 0.0° | 0.0° |
| H3 | C8 | C9 | H27 | 0.1° | 0.1° |
| H4 | C15 | C14 | H7 | 0.1° | 0.3° |
| H4 | C15 | C16 | H8 | 0.2° | 0.1° |
| H5 | C20 | C21 | H6 | 0.1° | 0.1° |
| H9 | C18 | N17 | H28 | 46.3° | 120.0° |
| H10 | C18 | N17 | H28 | 165.5° | 120.0° |
| H11 | C23 | N24 | H29 | 179.8° | 120.0° |
| H12 | C23 | N24 | H29 | 60.5° | 120.0° |
| H18 | C31 | C36 | H21 | 174.7° | 55.9° |
| H18 | C31 | C36 | H22 | 54.8° | 64.7° |
| H19 | C35 | C36 | H21 | 54.0° | 176.0° |
| H19 | C35 | C36 | H22 | 65.8° | 55.4° |
| H20 | C35 | C36 | H21 | 173.4° | 55.8° |
| H20 | C35 | C36 | H22 | 53.6° | 64.7° |
| H23 | C42 | C43 | H24 | 0.1° | 0.0° |
| H25 | C45 | C46 | H26 | 0.1° | 0.6° |
