0B8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C6 | sing | 1.34Å | 1.41Å | |
| O10 | C8 | doub | 1.22Å | 1.19Å | |
| C22 | C15 | sing | 1.51Å | 1.54Å | |
| C6 | C1 | sing | 1.50Å | 1.52Å | |
| C6 | C5 | doub | 1.37Å | 1.32Å | |
| C8 | C5 | sing | 1.47Å | 1.52Å | |
| C8 | C9 | sing | 1.48Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| O20 | C19 | doub | 1.22Å | 1.19Å | |
| C5 | C4 | sing | 1.47Å | 1.52Å | |
| C15 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| C9 | C11 | sing | 1.40Å | 1.37Å | Aromatic |
| C19 | C14 | sing | 1.47Å | 1.39Å | |
| C19 | N18 | sing | 1.35Å | 1.33Å | |
| C14 | C13 | doub | 1.41Å | 1.38Å | Aromatic |
| O26 | C25 | sing | 1.34Å | 1.40Å | |
| O26 | C28 | sing | 1.45Å | 1.40Å | |
| C24 | N18 | sing | 1.46Å | 1.46Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C4 | O47 | doub | 1.21Å | 1.19Å | |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| N18 | C17 | sing | 1.34Å | 1.36Å | |
| C11 | C12 | doub | 1.37Å | 1.38Å | Aromatic |
| C25 | O27 | doub | 1.21Å | 1.19Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | N16 | sing | 1.38Å | 1.32Å | |
| C29 | O30 | sing | 1.43Å | 1.40Å | |
| C17 | N16 | sing | 1.34Å | 1.35Å | |
| C17 | O23 | doub | 1.22Å | 1.19Å | |
| N16 | C21 | sing | 1.47Å | 1.46Å | |
| O30 | C31 | sing | 1.36Å | 1.40Å | |
| C31 | C36 | doub | 1.32Å | 1.35Å | Aromatic |
| C31 | C32 | sing | 1.47Å | 1.40Å | Aromatic |
| C45 | C32 | doub | 1.31Å | 1.44Å | Aromatic |
| C45 | C46 | sing | 1.48Å | 1.50Å | Aromatic |
| C36 | C35 | sing | 1.47Å | 1.34Å | Aromatic |
| C32 | C33 | sing | 1.47Å | 1.36Å | Aromatic |
| C46 | C41 | doub | 1.31Å | 1.43Å | Aromatic |
| C35 | C34 | doub | 1.31Å | 1.38Å | Aromatic |
| C33 | C34 | sing | 1.47Å | 1.42Å | Aromatic |
| C33 | C37 | doub | 1.30Å | 1.39Å | Aromatic |
| C34 | C40 | sing | 1.47Å | 1.37Å | Aromatic |
| C41 | C37 | sing | 1.48Å | 1.36Å | Aromatic |
| C41 | C42 | sing | 1.47Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.47Å | 1.42Å | Aromatic |
| C42 | C43 | doub | 1.32Å | 1.35Å | Aromatic |
| C40 | C39 | doub | 1.32Å | 1.36Å | Aromatic |
| C38 | C39 | sing | 1.47Å | 1.37Å | Aromatic |
| C38 | C44 | doub | 1.31Å | 1.38Å | Aromatic |
| C43 | C44 | sing | 1.47Å | 1.34Å | Aromatic |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.08Å | 1.08Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.08Å | 1.08Å | |
| C36 | H24 | sing | 1.08Å | 1.08Å | |
| C39 | H25 | sing | 1.08Å | 1.08Å | |
| C40 | H26 | sing | 1.08Å | 1.08Å | |
| C42 | H27 | sing | 1.08Å | 1.08Å | |
| C43 | H28 | sing | 1.08Å | 1.08Å | |
| C44 | H29 | sing | 1.08Å | 1.08Å | |
| C45 | H30 | sing | 1.08Å | 1.08Å | |
| C46 | H31 | sing | 1.08Å | 1.08Å | |
| O7 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C6 | C1 | 117.7° | 118.7° |
| O7 | C6 | C5 | 118.8° | 118.8° |
| C6 | O7 | H32 | 109.5° | 117.0° |
| O10 | C8 | C5 | 116.1° | 119.9° |
| O10 | C8 | C9 | 114.5° | 120.0° |
| C22 | C15 | C9 | 115.9° | 120.4° |
| C22 | C15 | C14 | 124.2° | 120.3° |
| C15 | C22 | H4 | 109.5° | 109.5° |
| C15 | C22 | H5 | 109.5° | 109.5° |
| C15 | C22 | H6 | 109.5° | 109.4° |
| C1 | C6 | C5 | 120.5° | 122.5° |
| C6 | C1 | C2 | 114.4° | 111.1° |
| C6 | C1 | H11 | 108.2° | 109.2° |
| C6 | C1 | H12 | 108.2° | 109.1° |
| C6 | C5 | C8 | 116.6° | 120.0° |
| C6 | C5 | C4 | 121.0° | 120.1° |
| C5 | C8 | C9 | 129.4° | 120.1° |
| C8 | C5 | C4 | 122.5° | 120.0° |
| C8 | C9 | C15 | 120.7° | 120.0° |
| C8 | C9 | C11 | 117.7° | 119.9° |
| C1 | C2 | C3 | 114.7° | 109.3° |
| C2 | C1 | H11 | 108.2° | 109.2° |
| C2 | C1 | H12 | 108.2° | 109.1° |
| C1 | C2 | H13 | 108.2° | 109.5° |
| C1 | C2 | H14 | 108.2° | 109.5° |
| O20 | C19 | C14 | 124.4° | 120.9° |
| O20 | C19 | N18 | 115.3° | 120.9° |
| C5 | C4 | O47 | 120.1° | 121.2° |
| C5 | C4 | C3 | 118.3° | 117.7° |
| C9 | C15 | C14 | 119.8° | 119.3° |
| C15 | C9 | C11 | 121.4° | 120.1° |
| C15 | C14 | C19 | 125.1° | 121.7° |
| C15 | C14 | C13 | 117.5° | 120.0° |
| C9 | C11 | C12 | 119.2° | 120.7° |
| C9 | C11 | H19 | 120.4° | 119.6° |
| C14 | C19 | N18 | 120.3° | 118.2° |
| C19 | C14 | C13 | 117.4° | 118.3° |
| C19 | N18 | C24 | 120.3° | 119.4° |
| C19 | N18 | C17 | 120.8° | 121.2° |
| C14 | C13 | C12 | 121.7° | 119.8° |
| C14 | C13 | N16 | 121.3° | 118.7° |
| C25 | O26 | C28 | 113.0° | 117.0° |
| O26 | C25 | C24 | 119.1° | 120.0° |
| O26 | C25 | O27 | 120.3° | 120.0° |
| O26 | C28 | C29 | 106.8° | 109.5° |
| O26 | C28 | H9 | 110.1° | 109.4° |
| O26 | C28 | H10 | 110.1° | 109.5° |
| N18 | C24 | C25 | 113.5° | 109.5° |
| C24 | N18 | C17 | 118.9° | 119.4° |
| N18 | C24 | H7 | 108.4° | 109.5° |
| N18 | C24 | H8 | 108.5° | 109.4° |
| C24 | C25 | O27 | 120.6° | 120.0° |
| C25 | C24 | H7 | 108.5° | 109.5° |
| C25 | C24 | H8 | 108.4° | 109.5° |
| O47 | C4 | C3 | 121.6° | 121.2° |
| C4 | C3 | C2 | 112.3° | 107.5° |
| C4 | C3 | H15 | 108.7° | 109.9° |
| C4 | C3 | H16 | 108.8° | 109.9° |
| C3 | C2 | H13 | 108.1° | 109.5° |
| C3 | C2 | H14 | 108.2° | 109.5° |
| C2 | C3 | H15 | 108.7° | 109.8° |
| C2 | C3 | H16 | 108.7° | 109.8° |
| N18 | C17 | N16 | 119.8° | 123.0° |
| N18 | C17 | O23 | 120.1° | 118.5° |
| C11 | C12 | C13 | 120.4° | 120.1° |
| C12 | C11 | H19 | 120.4° | 119.7° |
| C11 | C12 | H20 | 119.8° | 120.0° |
| C28 | C29 | O30 | 112.6° | 109.5° |
| C29 | C28 | H9 | 110.1° | 109.5° |
| C29 | C28 | H10 | 110.1° | 109.5° |
| C28 | C29 | H21 | 108.7° | 109.4° |
| C28 | C29 | H22 | 108.7° | 109.5° |
| C12 | C13 | N16 | 117.0° | 121.5° |
| C13 | C12 | H20 | 119.8° | 119.9° |
| C13 | N16 | C17 | 120.4° | 120.7° |
| C13 | N16 | C21 | 120.2° | 119.7° |
| C29 | O30 | C31 | 112.2° | 117.0° |
| O30 | C29 | H21 | 108.7° | 109.5° |
| O30 | C29 | H22 | 108.7° | 109.5° |
| N16 | C17 | O23 | 120.1° | 118.6° |
| C17 | N16 | C21 | 119.4° | 119.6° |
| N16 | C21 | H1 | 109.5° | 109.5° |
| N16 | C21 | H2 | 109.4° | 109.5° |
| N16 | C21 | H3 | 109.5° | 109.4° |
| O30 | C31 | C36 | 119.2° | 120.3° |
| O30 | C31 | C32 | 120.6° | 120.3° |
| C36 | C31 | C32 | 120.3° | 119.4° |
| C31 | C36 | C35 | 121.6° | 122.8° |
| C31 | C36 | H24 | 119.2° | 118.6° |
| C31 | C32 | C45 | 123.3° | 122.6° |
| C31 | C32 | C33 | 119.9° | 117.6° |
| C32 | C45 | C46 | 119.6° | 120.0° |
| C45 | C32 | C33 | 116.9° | 119.7° |
| C32 | C45 | H30 | 120.2° | 119.9° |
| C45 | C46 | C41 | 118.6° | 120.0° |
| C46 | C45 | H30 | 120.2° | 120.0° |
| C45 | C46 | H31 | 120.7° | 120.0° |
| C36 | C35 | C34 | 119.8° | 122.0° |
| C36 | C35 | H23 | 120.1° | 119.0° |
| C35 | C36 | H24 | 119.2° | 118.7° |
| C32 | C33 | C34 | 118.1° | 119.2° |
| C32 | C33 | C37 | 123.7° | 120.3° |
| C46 | C41 | C37 | 117.4° | 119.7° |
| C46 | C41 | C42 | 122.4° | 122.6° |
| C41 | C46 | H31 | 120.7° | 120.0° |
| C35 | C34 | C33 | 120.4° | 119.1° |
| C35 | C34 | C40 | 118.0° | 121.8° |
| C34 | C35 | H23 | 120.1° | 119.0° |
| C34 | C33 | C37 | 118.2° | 120.6° |
| C33 | C34 | C40 | 121.6° | 119.1° |
| C33 | C37 | C41 | 123.8° | 120.2° |
| C33 | C37 | C38 | 118.3° | 120.6° |
| C34 | C40 | C39 | 120.1° | 120.3° |
| C34 | C40 | H26 | 119.9° | 119.8° |
| C37 | C41 | C42 | 120.1° | 117.6° |
| C41 | C37 | C38 | 117.8° | 119.2° |
| C41 | C42 | C43 | 120.6° | 119.4° |
| C41 | C42 | H27 | 119.7° | 120.4° |
| C37 | C38 | C39 | 121.7° | 119.2° |
| C37 | C38 | C44 | 120.3° | 119.1° |
| C42 | C43 | C44 | 121.2° | 122.8° |
| C43 | C42 | H27 | 119.7° | 120.3° |
| C42 | C43 | H28 | 119.4° | 118.6° |
| C40 | C39 | C38 | 120.0° | 120.3° |
| C40 | C39 | H25 | 120.0° | 119.8° |
| C39 | C40 | H26 | 120.0° | 119.9° |
| C39 | C38 | C44 | 118.0° | 121.8° |
| C38 | C39 | H25 | 120.0° | 119.9° |
| C38 | C44 | C43 | 120.0° | 122.0° |
| C38 | C44 | H29 | 120.0° | 119.1° |
| C44 | C43 | H28 | 119.4° | 118.6° |
| C43 | C44 | H29 | 120.0° | 119.0° |
| H1 | C21 | H2 | 109.5° | 109.5° |
| H1 | C21 | H3 | 109.5° | 109.5° |
| H2 | C21 | H3 | 109.5° | 109.5° |
| H4 | C22 | H5 | 109.5° | 109.5° |
| H4 | C22 | H6 | 109.5° | 109.4° |
| H5 | C22 | H6 | 109.4° | 109.5° |
| H7 | C24 | H8 | 109.4° | 109.5° |
| H9 | C28 | H10 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.2° |
| H13 | C2 | H14 | 109.5° | 109.6° |
| H15 | C3 | H16 | 109.5° | 109.8° |
| H21 | C29 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C6 | C1 | C5 | 160.2° | 179.9° |
| O7 | C6 | C5 | C8 | 3.8° | 0.7° |
| O7 | C6 | C1 | C2 | 150.9° | 157.9° |
| O7 | C6 | C5 | C4 | 176.7° | 179.4° |
| O7 | C6 | C1 | H11 | 88.4° | 37.5° |
| O7 | C6 | C1 | H12 | 30.2° | 81.8° |
| O10 | C8 | C5 | C6 | 7.2° | 66.5° |
| O10 | C8 | C5 | C9 | 179.1° | 180.0° |
| O10 | C8 | C5 | C4 | 173.3° | 113.6° |
| O10 | C8 | C9 | C15 | 83.1° | 4.9° |
| O10 | C8 | C9 | C11 | 91.6° | 174.9° |
| C22 | C15 | C9 | C8 | 4.3° | 0.2° |
| C22 | C15 | C9 | C14 | 179.2° | 179.8° |
| C22 | C15 | C9 | C11 | 178.8° | 180.0° |
| C22 | C15 | C14 | C19 | 0.3° | 0.2° |
| C22 | C15 | C14 | C13 | 179.9° | 179.8° |
| C15 | C22 | H4 | H5 | 120.0° | 120.0° |
| C15 | C22 | H4 | H6 | 120.0° | 119.9° |
| C15 | C22 | H5 | H6 | 120.0° | 120.0° |
| C1 | C6 | C5 | C8 | 156.2° | 179.4° |
| C6 | C1 | C2 | H11 | 120.7° | 120.5° |
| C6 | C1 | C2 | H12 | 120.7° | 120.3° |
| C1 | C6 | C5 | C4 | 23.3° | 0.5° |
| C6 | C1 | C2 | C3 | 42.6° | 53.4° |
| C6 | C1 | H11 | H12 | 117.7° | 119.2° |
| C6 | C1 | C2 | H13 | 163.4° | 173.3° |
| C6 | C1 | C2 | H14 | 78.1° | 66.6° |
| C1 | C6 | O7 | H32 | 160.2° | 175.4° |
| C6 | C5 | C8 | C4 | 179.5° | 179.9° |
| C6 | C5 | C8 | C9 | 171.8° | 113.5° |
| C5 | C6 | C1 | C2 | 9.3° | 22.0° |
| C6 | C5 | C4 | O47 | 157.2° | 168.2° |
| C6 | C5 | C4 | C3 | 22.5° | 11.7° |
| C5 | C6 | C1 | H11 | 111.4° | 142.4° |
| C5 | C6 | C1 | H12 | 130.1° | 98.4° |
| C5 | C6 | O7 | H32 | 0.4° | 4.4° |
| C5 | C8 | C9 | C15 | 97.8° | 175.0° |
| C5 | C8 | C9 | C11 | 87.5° | 5.2° |
| C8 | C5 | C4 | O47 | 23.3° | 11.9° |
| C8 | C5 | C4 | C3 | 157.0° | 168.1° |
| C9 | C8 | C5 | C4 | 7.7° | 66.4° |
| C8 | C9 | C15 | C11 | 174.5° | 179.8° |
| C8 | C9 | C15 | C14 | 176.5° | 180.0° |
| C8 | C9 | C11 | C12 | 176.7° | 179.8° |
| C8 | C9 | C11 | H19 | 3.4° | 0.2° |
| C1 | C2 | C3 | C4 | 42.0° | 63.2° |
| C1 | C2 | C3 | H13 | 120.8° | 119.9° |
| C1 | C2 | C3 | H14 | 120.8° | 119.9° |
| C2 | C1 | H11 | H12 | 117.8° | 119.1° |
| C1 | C2 | H13 | H14 | 117.6° | 120.1° |
| C1 | C2 | C3 | H15 | 162.4° | 56.3° |
| C1 | C2 | C3 | H16 | 78.4° | 177.2° |
| O20 | C19 | C14 | C15 | 0.6° | 0.1° |
| O20 | C19 | C14 | N18 | 179.3° | 179.9° |
| O20 | C19 | C14 | C13 | 179.7° | 180.0° |
| O20 | C19 | N18 | C24 | 1.1° | 0.1° |
| O20 | C19 | N18 | C17 | 179.8° | 179.7° |
| C5 | C4 | O47 | C3 | 179.7° | 180.0° |
| C5 | C4 | C3 | C2 | 11.2° | 42.7° |
| C5 | C4 | C3 | H15 | 131.6° | 76.8° |
| C5 | C4 | C3 | H16 | 109.2° | 162.2° |
| C9 | C15 | C14 | C19 | 179.4° | 180.0° |
| C9 | C15 | C14 | C13 | 0.9° | 0.0° |
| C15 | C9 | C11 | C12 | 2.0° | 0.4° |
| C9 | C15 | C22 | H4 | 89.6° | 88.0° |
| C9 | C15 | C22 | H5 | 150.3° | 152.0° |
| C9 | C15 | C22 | H6 | 30.4° | 32.0° |
| C15 | C9 | C11 | H19 | 178.0° | 180.0° |
| C14 | C15 | C9 | C11 | 2.0° | 0.2° |
| C15 | C14 | C19 | C13 | 179.7° | 180.0° |
| C15 | C14 | C19 | N18 | 179.9° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C15 | C14 | C13 | N16 | 179.8° | 179.7° |
| C14 | C15 | C22 | H4 | 89.5° | 92.2° |
| C14 | C15 | C22 | H5 | 30.5° | 27.8° |
| C14 | C15 | C22 | H6 | 150.5° | 147.8° |
| C9 | C11 | C12 | H19 | 180.0° | 179.6° |
| C9 | C11 | C12 | C13 | 0.9° | 0.4° |
| C9 | C11 | C12 | H20 | 179.1° | 179.5° |
| C14 | C19 | N18 | C24 | 179.5° | 180.0° |
| C14 | C19 | N18 | C17 | 0.4° | 0.2° |
| C19 | C14 | C13 | C12 | 179.6° | 180.0° |
| C19 | C14 | C13 | N16 | 0.5° | 0.3° |
| N18 | C19 | C14 | C13 | 0.4° | 0.1° |
| C19 | N18 | C24 | C17 | 179.1° | 179.7° |
| C19 | N18 | C24 | C25 | 75.1° | 90.0° |
| C19 | N18 | C17 | N16 | 0.5° | 0.3° |
| C19 | N18 | C17 | O23 | 179.6° | 179.7° |
| C19 | N18 | C24 | H7 | 164.3° | 30.0° |
| C19 | N18 | C24 | H8 | 45.5° | 150.0° |
| C14 | C13 | C12 | C11 | 0.1° | 0.2° |
| C14 | C13 | C12 | N16 | 179.9° | 179.7° |
| C14 | C13 | N16 | C17 | 0.6° | 0.3° |
| C14 | C13 | N16 | C21 | 179.8° | 179.7° |
| C14 | C13 | C12 | H20 | 179.9° | 179.7° |
| O26 | C25 | C24 | N18 | 149.5° | 180.0° |
| O26 | C25 | C24 | O27 | 179.9° | 180.0° |
| C25 | O26 | C28 | C29 | 73.0° | 180.0° |
| O26 | C25 | C24 | H7 | 89.9° | 60.0° |
| O26 | C25 | C24 | H8 | 28.9° | 60.0° |
| C25 | O26 | C28 | H9 | 167.4° | 60.0° |
| C25 | O26 | C28 | H10 | 46.5° | 60.0° |
| C28 | O26 | C25 | C24 | 130.4° | 180.0° |
| C28 | O26 | C25 | O27 | 49.5° | 0.0° |
| O26 | C28 | C29 | H9 | 119.6° | 120.0° |
| O26 | C28 | C29 | H10 | 119.6° | 120.0° |
| O26 | C28 | C29 | O30 | 137.4° | 65.1° |
| O26 | C28 | H9 | H10 | 121.2° | 120.0° |
| O26 | C28 | C29 | H21 | 17.0° | 175.0° |
| O26 | C28 | C29 | H22 | 102.1° | 55.0° |
| N18 | C24 | C25 | H7 | 120.6° | 120.0° |
| N18 | C24 | C25 | H8 | 120.6° | 120.0° |
| N18 | C24 | C25 | O27 | 30.6° | 0.0° |
| C24 | N18 | C17 | N16 | 179.6° | 180.0° |
| C24 | N18 | C17 | O23 | 0.5° | 0.0° |
| N18 | C24 | H7 | H8 | 118.2° | 120.0° |
| C25 | C24 | N18 | C17 | 105.8° | 90.3° |
| C25 | C24 | H7 | H8 | 118.1° | 120.0° |
| O47 | C4 | C3 | C2 | 169.2° | 137.3° |
| O47 | C4 | C3 | H15 | 48.8° | 103.2° |
| O47 | C4 | C3 | H16 | 70.4° | 17.8° |
| C4 | C3 | C2 | H15 | 120.4° | 119.5° |
| C4 | C3 | C2 | H16 | 120.4° | 119.6° |
| C4 | C3 | C2 | H13 | 162.8° | 176.8° |
| C4 | C3 | C2 | H14 | 78.8° | 56.7° |
| C4 | C3 | H15 | H16 | 118.7° | 121.0° |
| C3 | C2 | C1 | H11 | 78.1° | 173.9° |
| C3 | C2 | C1 | H12 | 163.4° | 66.9° |
| C3 | C2 | H13 | H14 | 117.6° | 120.1° |
| C2 | C3 | H15 | H16 | 118.7° | 120.9° |
| N18 | C17 | N16 | C13 | 0.6° | 0.0° |
| N18 | C17 | N16 | O23 | 179.8° | 180.0° |
| N18 | C17 | N16 | C21 | 179.8° | 180.0° |
| C17 | N18 | C24 | H7 | 14.8° | 149.7° |
| C17 | N18 | C24 | H8 | 133.6° | 29.7° |
| C11 | C12 | C13 | H20 | 180.0° | 179.9° |
| C11 | C12 | C13 | N16 | 179.8° | 179.9° |
| O27 | C25 | C24 | H7 | 90.0° | 120.0° |
| O27 | C25 | C24 | H8 | 151.2° | 120.0° |
| C28 | C29 | O30 | H21 | 120.5° | 119.9° |
| C28 | C29 | O30 | H22 | 120.5° | 120.0° |
| C28 | C29 | O30 | C31 | 158.3° | 180.0° |
| C29 | C28 | H9 | H10 | 121.2° | 120.1° |
| C28 | C29 | H21 | H22 | 118.6° | 120.0° |
| C12 | C13 | N16 | C17 | 179.5° | 180.0° |
| C12 | C13 | N16 | C21 | 0.3° | 0.0° |
| C13 | C12 | C11 | H19 | 179.1° | 180.0° |
| C13 | N16 | C17 | C21 | 179.2° | 180.0° |
| C13 | N16 | C17 | O23 | 179.5° | 180.0° |
| C13 | N16 | C21 | H1 | 180.0° | 89.9° |
| C13 | N16 | C21 | H2 | 60.0° | 150.0° |
| C13 | N16 | C21 | H3 | 60.0° | 30.0° |
| N16 | C13 | C12 | H20 | 0.2° | 0.0° |
| C29 | O30 | C31 | C36 | 96.7° | 0.1° |
| C29 | O30 | C31 | C32 | 82.8° | 179.7° |
| O30 | C29 | C28 | H9 | 103.0° | 175.0° |
| O30 | C29 | C28 | H10 | 17.8° | 55.0° |
| O30 | C29 | H21 | H22 | 118.6° | 120.0° |
| C17 | N16 | C21 | H1 | 0.8° | 90.0° |
| C17 | N16 | C21 | H2 | 120.8° | 30.0° |
| C17 | N16 | C21 | H3 | 119.2° | 150.0° |
| O23 | C17 | N16 | C21 | 0.4° | 0.0° |
| N16 | C21 | H1 | H2 | 120.0° | 120.0° |
| N16 | C21 | H1 | H3 | 120.0° | 119.9° |
| N16 | C21 | H2 | H3 | 120.0° | 119.9° |
| O30 | C31 | C36 | C32 | 179.5° | 179.6° |
| O30 | C31 | C32 | C45 | 0.5° | 0.4° |
| O30 | C31 | C36 | C35 | 179.9° | 179.7° |
| O30 | C31 | C32 | C33 | 180.0° | 179.7° |
| C31 | O30 | C29 | H21 | 81.3° | 60.1° |
| C31 | O30 | C29 | H22 | 37.8° | 60.0° |
| O30 | C31 | C36 | H24 | 0.0° | 0.3° |
| C36 | C31 | C32 | C45 | 179.9° | 180.0° |
| C31 | C36 | C35 | H24 | 180.0° | 180.0° |
| C36 | C31 | C32 | C33 | 0.4° | 0.1° |
| C31 | C36 | C35 | C34 | 0.1° | 0.0° |
| C31 | C36 | C35 | H23 | 179.9° | 180.0° |
| C31 | C32 | C45 | C33 | 179.5° | 179.9° |
| C31 | C32 | C45 | C46 | 179.8° | 179.9° |
| C32 | C31 | C36 | C35 | 0.4° | 0.1° |
| C31 | C32 | C33 | C34 | 0.2° | 0.1° |
| C31 | C32 | C33 | C37 | 179.6° | 180.0° |
| C32 | C31 | C36 | H24 | 179.6° | 179.9° |
| C31 | C32 | C45 | H30 | 0.2° | 0.1° |
| C32 | C45 | C46 | H30 | 180.0° | 180.0° |
| C32 | C45 | C46 | C41 | 0.2° | 0.0° |
| C45 | C32 | C33 | C34 | 179.7° | 180.0° |
| C45 | C32 | C33 | C37 | 0.1° | 0.0° |
| C32 | C45 | C46 | H31 | 179.8° | 180.0° |
| C46 | C45 | C32 | C33 | 0.2° | 0.0° |
| C45 | C46 | C41 | H31 | 180.0° | 179.9° |
| C45 | C46 | C41 | C37 | 0.0° | 0.0° |
| C45 | C46 | C41 | C42 | 179.9° | 180.0° |
| C36 | C35 | C34 | H23 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 0.1° | 0.0° |
| C36 | C35 | C34 | C40 | 179.9° | 180.0° |
| C32 | C33 | C34 | C35 | 0.1° | 0.0° |
| C32 | C33 | C34 | C37 | 179.9° | 180.0° |
| C32 | C33 | C34 | C40 | 180.0° | 180.0° |
| C32 | C33 | C37 | C41 | 0.1° | 0.1° |
| C32 | C33 | C37 | C38 | 180.0° | 180.0° |
| C33 | C32 | C45 | H30 | 179.7° | 180.0° |
| C46 | C41 | C37 | C33 | 0.2° | 0.0° |
| C46 | C41 | C37 | C42 | 179.9° | 180.0° |
| C46 | C41 | C37 | C38 | 179.9° | 180.0° |
| C46 | C41 | C42 | C43 | 180.0° | 180.0° |
| C46 | C41 | C42 | H27 | 0.0° | 0.0° |
| C41 | C46 | C45 | H30 | 179.8° | 180.0° |
| C35 | C34 | C33 | C40 | 179.9° | 180.0° |
| C35 | C34 | C33 | C37 | 179.9° | 180.0° |
| C35 | C34 | C40 | C39 | 180.0° | 180.0° |
| C34 | C35 | C36 | H24 | 179.8° | 180.0° |
| C35 | C34 | C40 | H26 | 0.0° | 0.0° |
| C34 | C33 | C37 | C41 | 180.0° | 180.0° |
| C34 | C33 | C37 | C38 | 0.1° | 0.0° |
| C33 | C34 | C40 | C39 | 0.1° | 0.0° |
| C33 | C34 | C35 | H23 | 179.9° | 180.0° |
| C33 | C34 | C40 | H26 | 180.0° | 180.0° |
| C37 | C33 | C34 | C40 | 0.1° | 0.0° |
| C33 | C37 | C41 | C38 | 179.9° | 180.0° |
| C33 | C37 | C41 | C42 | 179.9° | 180.0° |
| C33 | C37 | C38 | C39 | 0.1° | 0.0° |
| C33 | C37 | C38 | C44 | 179.8° | 180.0° |
| C34 | C40 | C39 | H26 | 180.0° | 180.0° |
| C34 | C40 | C39 | C38 | 0.0° | 0.0° |
| C40 | C34 | C35 | H23 | 0.1° | 0.0° |
| C34 | C40 | C39 | H25 | 180.0° | 179.9° |
| C37 | C41 | C42 | C43 | 0.1° | 0.0° |
| C41 | C37 | C38 | C39 | 180.0° | 180.0° |
| C41 | C37 | C38 | C44 | 0.1° | 0.0° |
| C37 | C41 | C42 | H27 | 179.9° | 180.0° |
| C37 | C41 | C46 | H31 | 180.0° | 179.9° |
| C42 | C41 | C37 | C38 | 0.0° | 0.0° |
| C41 | C42 | C43 | H27 | 180.0° | 180.0° |
| C41 | C42 | C43 | C44 | 0.1° | 0.0° |
| C41 | C42 | C43 | H28 | 179.9° | 180.0° |
| C42 | C41 | C46 | H31 | 0.1° | 0.0° |
| C37 | C38 | C39 | C40 | 0.0° | 0.0° |
| C37 | C38 | C39 | C44 | 179.9° | 180.0° |
| C37 | C38 | C44 | C43 | 0.1° | 0.0° |
| C37 | C38 | C39 | H25 | 180.0° | 179.9° |
| C37 | C38 | C44 | H29 | 179.8° | 180.0° |
| C42 | C43 | C44 | C38 | 0.0° | 0.0° |
| C42 | C43 | C44 | H28 | 180.0° | 180.0° |
| C42 | C43 | C44 | H29 | 180.0° | 180.0° |
| C40 | C39 | C38 | H25 | 180.0° | 179.9° |
| C40 | C39 | C38 | C44 | 179.9° | 180.0° |
| C39 | C38 | C44 | C43 | 180.0° | 180.0° |
| C38 | C39 | C40 | H26 | 180.0° | 180.0° |
| C39 | C38 | C44 | H29 | 0.0° | 0.0° |
| C38 | C44 | C43 | H29 | 180.0° | 180.0° |
| C44 | C38 | C39 | H25 | 0.1° | 0.1° |
| C38 | C44 | C43 | H28 | 180.0° | 180.0° |
| C44 | C43 | C42 | H27 | 179.9° | 180.0° |
| H1 | C21 | H2 | H3 | 120.0° | 120.0° |
| H4 | C22 | H5 | H6 | 120.0° | 120.0° |
| H9 | C28 | C29 | H21 | 136.6° | 55.0° |
| H9 | C28 | C29 | H22 | 17.5° | 65.0° |
| H10 | C28 | C29 | H21 | 102.6° | 65.0° |
| H10 | C28 | C29 | H22 | 138.3° | 175.0° |
| H11 | C1 | C2 | H13 | 42.7° | 66.2° |
| H11 | C1 | C2 | H14 | 161.1° | 53.9° |
| H12 | C1 | C2 | H13 | 75.9° | 53.0° |
| H12 | C1 | C2 | H14 | 42.6° | 173.1° |
| H13 | C2 | C3 | H15 | 76.8° | 63.7° |
| H13 | C2 | C3 | H16 | 42.3° | 57.3° |
| H14 | C2 | C3 | H15 | 41.6° | 176.2° |
| H14 | C2 | C3 | H16 | 160.8° | 62.8° |
| H19 | C11 | C12 | H20 | 0.9° | 0.1° |
| H23 | C35 | C36 | H24 | 0.1° | 0.0° |
| H25 | C39 | C40 | H26 | 0.0° | 0.1° |
| H27 | C42 | C43 | H28 | 0.1° | 0.1° |
| H28 | C43 | C44 | H29 | 0.0° | 0.0° |
| H30 | C45 | C46 | H31 | 0.2° | 0.0° |
