BFO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.36Å | 1.42Å | Aromatic |
| C1 | C46 | sing | 1.41Å | 1.43Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.44Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.57Å | |
| C3 | C40 | doub | 1.36Å | 1.45Å | Aromatic |
| C4 | O5 | sing | 1.45Å | 1.46Å | |
| O5 | C6 | sing | 1.35Å | 1.37Å | |
| C6 | O7 | doub | 1.22Å | 1.25Å | |
| C6 | N8 | sing | 1.35Å | 1.39Å | |
| N8 | C9 | sing | 1.46Å | 1.49Å | |
| C9 | C10 | sing | 1.53Å | 1.58Å | |
| C9 | C11 | sing | 1.51Å | 1.54Å | |
| C11 | O12 | doub | 1.21Å | 1.24Å | |
| C11 | N13 | sing | 1.35Å | 1.38Å | |
| N13 | C14 | sing | 1.47Å | 1.50Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C25 | sing | 1.53Å | 1.58Å | |
| C15 | O16 | doub | 1.21Å | 1.23Å | |
| C15 | O17 | sing | 1.34Å | 1.37Å | |
| O17 | C18 | sing | 1.45Å | 1.48Å | |
| C18 | C19 | sing | 1.51Å | 1.54Å | |
| C19 | C20 | doub | 1.38Å | 1.43Å | Aromatic |
| C19 | C24 | sing | 1.38Å | 1.43Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.43Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.43Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.43Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.58Å | |
| C26 | C27 | sing | 1.53Å | 1.59Å | |
| C27 | N28 | sing | 1.47Å | 1.49Å | |
| N28 | C29 | sing | 1.35Å | 1.41Å | |
| C29 | O30 | doub | 1.21Å | 1.23Å | |
| C29 | C31 | sing | 1.51Å | 1.52Å | |
| C31 | O32 | sing | 1.43Å | 1.43Å | |
| C31 | C33 | sing | 1.53Å | 1.58Å | |
| C33 | C34 | sing | 1.53Å | 1.58Å | |
| C33 | C38 | sing | 1.51Å | 1.52Å | |
| C34 | C35 | sing | 1.53Å | 1.56Å | |
| C34 | C36 | sing | 1.53Å | 1.58Å | |
| C36 | C37 | sing | 1.53Å | 1.55Å | |
| C38 | O39 | doub | 1.21Å | 1.23Å | |
| C40 | C41 | sing | 1.41Å | 1.46Å | Aromatic |
| C41 | C42 | doub | 1.40Å | 1.44Å | Aromatic |
| C41 | C46 | sing | 1.42Å | 1.46Å | Aromatic |
| C42 | C43 | sing | 1.36Å | 1.45Å | Aromatic |
| C43 | C44 | doub | 1.39Å | 1.43Å | Aromatic |
| C44 | C45 | sing | 1.36Å | 1.43Å | Aromatic |
| C45 | C46 | doub | 1.40Å | 1.44Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| N28 | HN28 | sing | 0.97Å | 1.00Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| O32 | HO32 | sing | 0.97Å | 0.95Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C45 | H45 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C46 | 121.0° | 119.6° |
| C1 | C2 | C3 | 121.3° | 121.0° |
| C2 | C1 | H1 | 119.5° | 120.2° |
| C1 | C2 | H2 | 119.3° | 119.5° |
| C1 | C46 | C41 | 119.2° | 119.4° |
| C1 | C46 | C45 | 121.0° | 121.3° |
| C46 | C1 | H1 | 119.5° | 120.2° |
| C2 | C3 | C4 | 117.6° | 119.5° |
| C2 | C3 | C40 | 118.6° | 121.0° |
| C3 | C2 | H2 | 119.4° | 119.5° |
| C4 | C3 | C40 | 123.8° | 119.5° |
| C3 | C4 | O5 | 102.9° | 109.5° |
| C3 | C4 | H4 | 111.8° | 109.5° |
| C3 | C4 | H4A | 111.7° | 109.4° |
| C3 | C40 | C41 | 120.1° | 119.6° |
| C3 | C40 | H40 | 120.0° | 120.2° |
| C4 | O5 | C6 | 126.6° | 117.0° |
| O5 | C4 | H4 | 111.7° | 109.5° |
| O5 | C4 | H4A | 111.7° | 109.5° |
| O5 | C6 | O7 | 126.7° | 120.0° |
| O5 | C6 | N8 | 105.7° | 120.0° |
| O7 | C6 | N8 | 127.7° | 120.0° |
| C6 | N8 | C9 | 133.7° | 120.0° |
| C6 | N8 | HN8 | 113.1° | 120.0° |
| N8 | C9 | C10 | 112.2° | 109.5° |
| N8 | C9 | C11 | 107.7° | 109.5° |
| C9 | N8 | HN8 | 113.2° | 120.0° |
| N8 | C9 | H9 | 109.5° | 109.5° |
| C10 | C9 | C11 | 111.4° | 109.5° |
| C10 | C9 | H9 | 105.6° | 109.4° |
| C9 | C10 | H10 | 109.5° | 109.5° |
| C9 | C10 | H10A | 109.5° | 109.5° |
| C9 | C10 | H10B | 109.5° | 109.5° |
| C9 | C11 | O12 | 120.8° | 120.0° |
| C9 | C11 | N13 | 116.8° | 120.0° |
| C11 | C9 | H9 | 110.3° | 109.5° |
| O12 | C11 | N13 | 122.3° | 120.1° |
| C11 | N13 | C14 | 127.5° | 119.9° |
| C11 | N13 | HN13 | 116.2° | 120.1° |
| N13 | C14 | C15 | 113.6° | 109.5° |
| N13 | C14 | C25 | 113.6° | 109.5° |
| C14 | N13 | HN13 | 116.3° | 120.0° |
| N13 | C14 | H14 | 105.0° | 109.5° |
| C15 | C14 | C25 | 113.8° | 109.4° |
| C14 | C15 | O16 | 117.8° | 120.0° |
| C14 | C15 | O17 | 119.1° | 120.0° |
| C15 | C14 | H14 | 104.8° | 109.5° |
| C14 | C25 | C26 | 109.3° | 109.5° |
| C25 | C14 | H14 | 104.8° | 109.5° |
| C14 | C25 | H25 | 109.5° | 109.5° |
| C14 | C25 | H25A | 109.5° | 109.5° |
| O16 | C15 | O17 | 123.1° | 120.0° |
| C15 | O17 | C18 | 115.3° | 117.0° |
| O17 | C18 | C19 | 116.8° | 109.5° |
| O17 | C18 | H18 | 107.1° | 109.5° |
| O17 | C18 | H18A | 107.1° | 109.4° |
| C18 | C19 | C20 | 119.6° | 120.0° |
| C18 | C19 | C24 | 121.2° | 120.0° |
| C19 | C18 | H18 | 107.1° | 109.5° |
| C19 | C18 | H18A | 107.1° | 109.4° |
| C20 | C19 | C24 | 119.2° | 120.0° |
| C19 | C20 | C21 | 120.6° | 120.0° |
| C19 | C20 | H20 | 119.7° | 120.1° |
| C19 | C24 | C23 | 120.3° | 120.0° |
| C19 | C24 | H24 | 119.9° | 120.0° |
| C20 | C21 | C22 | 119.8° | 120.0° |
| C21 | C20 | H20 | 119.7° | 119.9° |
| C20 | C21 | H21 | 120.1° | 120.1° |
| C21 | C22 | C23 | 119.8° | 120.0° |
| C22 | C21 | H21 | 120.1° | 119.9° |
| C21 | C22 | H22 | 120.1° | 120.0° |
| C22 | C23 | C24 | 120.2° | 120.0° |
| C23 | C22 | H22 | 120.1° | 120.0° |
| C22 | C23 | H23 | 119.9° | 120.0° |
| C24 | C23 | H23 | 119.9° | 120.0° |
| C23 | C24 | H24 | 119.9° | 120.0° |
| C25 | C26 | C27 | 113.0° | 109.5° |
| C26 | C25 | H25 | 109.5° | 109.5° |
| C26 | C25 | H25A | 109.5° | 109.4° |
| C25 | C26 | H26 | 108.3° | 109.5° |
| C25 | C26 | H26A | 108.3° | 109.4° |
| C26 | C27 | N28 | 114.3° | 109.5° |
| C27 | C26 | H26 | 108.3° | 109.5° |
| C27 | C26 | H26A | 108.3° | 109.5° |
| C26 | C27 | H27 | 107.9° | 109.5° |
| C26 | C27 | H27A | 107.9° | 109.5° |
| C27 | N28 | C29 | 124.0° | 120.0° |
| N28 | C27 | H27 | 107.9° | 109.4° |
| N28 | C27 | H27A | 107.9° | 109.5° |
| C27 | N28 | HN28 | 118.0° | 120.0° |
| N28 | C29 | O30 | 124.0° | 120.0° |
| N28 | C29 | C31 | 118.8° | 120.0° |
| C29 | N28 | HN28 | 118.0° | 120.0° |
| O30 | C29 | C31 | 117.1° | 120.0° |
| C29 | C31 | O32 | 110.4° | 109.5° |
| C29 | C31 | C33 | 112.3° | 109.5° |
| C29 | C31 | H31 | 107.0° | 109.5° |
| O32 | C31 | C33 | 109.9° | 109.4° |
| O32 | C31 | H31 | 109.5° | 109.4° |
| C31 | O32 | HO32 | 109.5° | 114.0° |
| C31 | C33 | C34 | 115.4° | 109.4° |
| C31 | C33 | C38 | 109.7° | 109.5° |
| C33 | C31 | H31 | 107.5° | 109.5° |
| C31 | C33 | H33 | 104.8° | 109.5° |
| C34 | C33 | C38 | 108.3° | 109.5° |
| C33 | C34 | C35 | 112.0° | 109.5° |
| C33 | C34 | C36 | 108.5° | 109.4° |
| C34 | C33 | H33 | 106.3° | 109.5° |
| C33 | C34 | H34 | 109.0° | 109.5° |
| C33 | C38 | O39 | 123.0° | 120.0° |
| C38 | C33 | H33 | 112.3° | 109.5° |
| C33 | C38 | H38 | 118.5° | 120.0° |
| C35 | C34 | C36 | 111.1° | 109.4° |
| C35 | C34 | H34 | 106.3° | 109.5° |
| C34 | C35 | H35 | 109.5° | 109.5° |
| C34 | C35 | H35A | 109.4° | 109.5° |
| C34 | C35 | H35B | 109.5° | 109.5° |
| C34 | C36 | C37 | 115.6° | 109.4° |
| C36 | C34 | H34 | 110.0° | 109.5° |
| C34 | C36 | H36 | 107.5° | 109.5° |
| C34 | C36 | H36A | 107.5° | 109.4° |
| C37 | C36 | H36 | 107.5° | 109.5° |
| C37 | C36 | H36A | 107.5° | 109.5° |
| C36 | C37 | H37 | 109.5° | 109.5° |
| C36 | C37 | H37A | 109.5° | 109.5° |
| C36 | C37 | H37B | 109.4° | 109.4° |
| O39 | C38 | H38 | 118.5° | 120.0° |
| C40 | C41 | C42 | 121.5° | 121.3° |
| C40 | C41 | C46 | 119.8° | 119.3° |
| C41 | C40 | H40 | 120.0° | 120.2° |
| C42 | C41 | C46 | 118.7° | 119.4° |
| C41 | C42 | C43 | 120.6° | 119.7° |
| C41 | C42 | H42 | 119.7° | 120.2° |
| C41 | C46 | C45 | 119.8° | 119.3° |
| C42 | C43 | C44 | 120.5° | 121.0° |
| C43 | C42 | H42 | 119.7° | 120.1° |
| C42 | C43 | H43 | 119.7° | 119.5° |
| C43 | C44 | C45 | 119.4° | 120.9° |
| C44 | C43 | H43 | 119.7° | 119.5° |
| C43 | C44 | H44 | 120.3° | 119.5° |
| C44 | C45 | C46 | 121.0° | 119.7° |
| C45 | C44 | H44 | 120.3° | 119.6° |
| C44 | C45 | H45 | 119.5° | 120.1° |
| C46 | C45 | H45 | 119.5° | 120.2° |
| H4 | C4 | H4A | 107.1° | 109.5° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H10 | C10 | H10B | 109.4° | 109.4° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| H18 | C18 | H18A | 111.8° | 109.4° |
| H25 | C25 | H25A | 109.4° | 109.5° |
| H26 | C26 | H26A | 110.6° | 109.4° |
| H27 | C27 | H27A | 111.0° | 109.5° |
| H35 | C35 | H35A | 109.5° | 109.4° |
| H35 | C35 | H35B | 109.4° | 109.5° |
| H35A | C35 | H35B | 109.5° | 109.5° |
| H36 | C36 | H36A | 111.4° | 109.5° |
| H37 | C37 | H37A | 109.5° | 109.5° |
| H37 | C37 | H37B | 109.5° | 109.4° |
| H37A | C37 | H37B | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C46 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 178.0° | 180.0° |
| C1 | C2 | C3 | C40 | 0.5° | 0.1° |
| C2 | C1 | C46 | C41 | 0.2° | 0.0° |
| C2 | C1 | C46 | C45 | 179.3° | 180.0° |
| C46 | C1 | C2 | C3 | 0.3° | 0.1° |
| C1 | C46 | C41 | C40 | 0.4° | 0.1° |
| C1 | C46 | C41 | C42 | 179.9° | 180.0° |
| C1 | C46 | C41 | C45 | 179.1° | 180.0° |
| C1 | C46 | C45 | C44 | 179.7° | 180.0° |
| C46 | C1 | C2 | H2 | 179.7° | 180.0° |
| C1 | C46 | C45 | H45 | 0.3° | 0.0° |
| C2 | C3 | C4 | C40 | 178.5° | 180.0° |
| C2 | C3 | C4 | O5 | 28.1° | 89.9° |
| C2 | C3 | C40 | C41 | 0.7° | 0.0° |
| C3 | C2 | C1 | H1 | 179.7° | 179.8° |
| C2 | C3 | C4 | H4 | 91.9° | 150.0° |
| C2 | C3 | C4 | H4A | 148.1° | 30.0° |
| C2 | C3 | C40 | H40 | 179.3° | 179.9° |
| C3 | C4 | O5 | H4 | 120.0° | 120.1° |
| C3 | C4 | O5 | H4A | 120.0° | 119.9° |
| C3 | C4 | O5 | C6 | 178.1° | 180.0° |
| C4 | C3 | C40 | C41 | 177.8° | 179.9° |
| C4 | C3 | C2 | H2 | 2.0° | 0.0° |
| C3 | C4 | H4 | H4A | 122.7° | 119.9° |
| C4 | C3 | C40 | H40 | 2.3° | 0.0° |
| C40 | C3 | C4 | O5 | 150.4° | 90.0° |
| C3 | C40 | C41 | H40 | 180.0° | 179.9° |
| C3 | C40 | C41 | C42 | 179.9° | 180.0° |
| C3 | C40 | C41 | C46 | 0.6° | 0.1° |
| C40 | C3 | C2 | H2 | 179.5° | 180.0° |
| C40 | C3 | C4 | H4 | 89.6° | 30.0° |
| C40 | C3 | C4 | H4A | 30.4° | 150.0° |
| C4 | O5 | C6 | O7 | 0.7° | 0.0° |
| C4 | O5 | C6 | N8 | 179.3° | 180.0° |
| O5 | C4 | H4 | H4A | 122.6° | 120.0° |
| O5 | C6 | O7 | N8 | 179.9° | 180.0° |
| O5 | C6 | N8 | C9 | 179.7° | 180.0° |
| C6 | O5 | C4 | H4 | 61.9° | 60.0° |
| C6 | O5 | C4 | H4A | 58.1° | 60.0° |
| O5 | C6 | N8 | HN8 | 0.3° | 0.0° |
| O7 | C6 | N8 | C9 | 0.3° | 0.0° |
| O7 | C6 | N8 | HN8 | 179.7° | 180.0° |
| C6 | N8 | C9 | HN8 | 180.0° | 180.0° |
| C6 | N8 | C9 | C10 | 38.9° | 85.0° |
| C6 | N8 | C9 | C11 | 161.9° | 155.0° |
| C6 | N8 | C9 | H9 | 78.1° | 35.0° |
| N8 | C9 | C10 | C11 | 120.9° | 120.0° |
| N8 | C9 | C10 | H9 | 119.3° | 120.0° |
| N8 | C9 | C11 | H9 | 119.5° | 120.1° |
| N8 | C9 | C11 | O12 | 129.9° | 0.0° |
| N8 | C9 | C11 | N13 | 50.4° | 180.0° |
| N8 | C9 | C10 | H10 | 180.0° | 60.0° |
| N8 | C9 | C10 | H10A | 60.0° | 180.0° |
| N8 | C9 | C10 | H10B | 60.0° | 60.0° |
| C10 | C9 | C11 | H9 | 117.0° | 119.9° |
| C10 | C9 | C11 | O12 | 106.6° | 120.0° |
| C10 | C9 | C11 | N13 | 73.1° | 60.0° |
| C10 | C9 | N8 | HN8 | 141.1° | 95.0° |
| C9 | C10 | H10 | H10A | 120.0° | 120.0° |
| C9 | C10 | H10 | H10B | 120.0° | 120.0° |
| C9 | C10 | H10A | H10B | 120.0° | 120.0° |
| C9 | C11 | O12 | N13 | 179.7° | 180.0° |
| C9 | C11 | N13 | C14 | 125.9° | 180.0° |
| C11 | C9 | N8 | HN8 | 18.1° | 25.0° |
| C11 | C9 | C10 | H10 | 59.1° | 60.0° |
| C11 | C9 | C10 | H10A | 179.1° | 60.0° |
| C11 | C9 | C10 | H10B | 60.9° | 180.0° |
| C9 | C11 | N13 | HN13 | 54.1° | 0.0° |
| O12 | C11 | N13 | C14 | 54.3° | 0.0° |
| O12 | C11 | C9 | H9 | 10.4° | 120.0° |
| O12 | C11 | N13 | HN13 | 125.6° | 180.0° |
| C11 | N13 | C14 | HN13 | 180.0° | 180.0° |
| C11 | N13 | C14 | C15 | 72.8° | 85.0° |
| C11 | N13 | C14 | C25 | 59.3° | 155.0° |
| N13 | C11 | C9 | H9 | 169.9° | 59.9° |
| C11 | N13 | C14 | H14 | 173.2° | 35.0° |
| N13 | C14 | C15 | C25 | 132.1° | 120.0° |
| N13 | C14 | C15 | H14 | 114.0° | 120.0° |
| N13 | C14 | C25 | H14 | 114.0° | 120.0° |
| N13 | C14 | C15 | O16 | 55.4° | 0.0° |
| N13 | C14 | C15 | O17 | 126.1° | 180.0° |
| N13 | C14 | C25 | C26 | 146.7° | 65.1° |
| N13 | C14 | C25 | H25 | 26.7° | 55.0° |
| N13 | C14 | C25 | H25A | 93.3° | 175.0° |
| C15 | C14 | C25 | H14 | 113.9° | 120.0° |
| C14 | C15 | O16 | O17 | 178.4° | 180.0° |
| C14 | C15 | O17 | C18 | 177.8° | 180.0° |
| C15 | C14 | C25 | C26 | 81.2° | 175.0° |
| C15 | C14 | N13 | HN13 | 107.2° | 95.0° |
| C15 | C14 | C25 | H25 | 158.8° | 65.0° |
| C15 | C14 | C25 | H25A | 38.8° | 55.0° |
| C25 | C14 | C15 | O16 | 172.6° | 120.0° |
| C25 | C14 | C15 | O17 | 5.9° | 60.1° |
| C14 | C25 | C26 | H25 | 120.0° | 120.0° |
| C14 | C25 | C26 | H25A | 120.0° | 120.0° |
| C14 | C25 | C26 | C27 | 82.1° | 180.0° |
| C25 | C14 | N13 | HN13 | 120.7° | 25.0° |
| C14 | C25 | H25 | H25A | 120.1° | 120.0° |
| C14 | C25 | C26 | H26 | 157.9° | 59.9° |
| C14 | C25 | C26 | H26A | 37.9° | 60.0° |
| O16 | C15 | O17 | C18 | 0.6° | 0.1° |
| O16 | C15 | C14 | H14 | 58.7° | 120.0° |
| C15 | O17 | C18 | C19 | 98.0° | 180.0° |
| O17 | C15 | C14 | H14 | 119.8° | 59.9° |
| C15 | O17 | C18 | H18 | 22.0° | 59.9° |
| C15 | O17 | C18 | H18A | 142.0° | 60.1° |
| O17 | C18 | C19 | H18 | 120.0° | 120.1° |
| O17 | C18 | C19 | H18A | 120.0° | 119.9° |
| O17 | C18 | C19 | C20 | 97.8° | 90.1° |
| O17 | C18 | C19 | C24 | 82.8° | 90.2° |
| O17 | C18 | H18 | H18A | 117.0° | 120.0° |
| C18 | C19 | C20 | C24 | 179.4° | 179.7° |
| C18 | C19 | C20 | C21 | 179.6° | 180.0° |
| C18 | C19 | C24 | C23 | 179.6° | 179.8° |
| C19 | C18 | H18 | H18A | 117.0° | 120.0° |
| C18 | C19 | C20 | H20 | 0.4° | 0.1° |
| C18 | C19 | C24 | H24 | 0.4° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.0° | 0.1° |
| C20 | C19 | C24 | C23 | 0.2° | 0.5° |
| C20 | C19 | C18 | H18 | 142.2° | 30.0° |
| C20 | C19 | C18 | H18A | 22.2° | 150.0° |
| C19 | C20 | C21 | H21 | 180.0° | 179.9° |
| C20 | C19 | C24 | H24 | 179.8° | 179.7° |
| C24 | C19 | C20 | C21 | 0.2° | 0.3° |
| C19 | C24 | C23 | C22 | 0.1° | 0.4° |
| C19 | C24 | C23 | H24 | 180.0° | 179.8° |
| C24 | C19 | C18 | H18 | 37.2° | 149.7° |
| C24 | C19 | C18 | H18A | 157.2° | 29.7° |
| C24 | C19 | C20 | H20 | 179.8° | 179.8° |
| C19 | C24 | C23 | H23 | 179.9° | 179.7° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | H22 | 179.9° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.1° | 0.2° |
| C22 | C21 | C20 | H20 | 180.0° | 180.0° |
| C21 | C22 | C23 | H23 | 179.9° | 179.9° |
| C22 | C23 | C24 | H23 | 180.0° | 179.8° |
| C23 | C22 | C21 | H21 | 179.9° | 180.0° |
| C22 | C23 | C24 | H24 | 180.0° | 179.7° |
| C24 | C23 | C22 | H22 | 179.9° | 179.9° |
| C25 | C26 | C27 | H26 | 120.0° | 120.0° |
| C25 | C26 | C27 | H26A | 120.0° | 120.0° |
| C25 | C26 | C27 | N28 | 147.2° | 180.0° |
| C26 | C25 | C14 | H14 | 32.7° | 55.0° |
| C26 | C25 | H25 | H25A | 120.1° | 120.0° |
| C25 | C26 | H26 | H26A | 118.6° | 119.9° |
| C25 | C26 | C27 | H27 | 27.2° | 60.0° |
| C25 | C26 | C27 | H27A | 92.8° | 60.0° |
| C26 | C27 | N28 | H27 | 120.0° | 120.0° |
| C26 | C27 | N28 | H27A | 120.0° | 120.0° |
| C26 | C27 | N28 | C29 | 92.9° | 180.0° |
| C27 | C26 | C25 | H25 | 37.9° | 60.0° |
| C27 | C26 | C25 | H25A | 157.9° | 60.0° |
| C27 | C26 | H26 | H26A | 118.5° | 120.0° |
| C26 | C27 | H27 | H27A | 118.0° | 120.0° |
| C26 | C27 | N28 | HN28 | 87.1° | 0.0° |
| C27 | N28 | C29 | HN28 | 180.0° | 180.0° |
| C27 | N28 | C29 | O30 | 0.0° | 0.1° |
| C27 | N28 | C29 | C31 | 179.2° | 180.0° |
| N28 | C27 | C26 | H26 | 92.8° | 60.0° |
| N28 | C27 | C26 | H26A | 27.1° | 60.0° |
| N28 | C27 | H27 | H27A | 118.0° | 120.0° |
| N28 | C29 | O30 | C31 | 179.2° | 179.9° |
| N28 | C29 | C31 | O32 | 61.0° | 175.0° |
| N28 | C29 | C31 | C33 | 62.1° | 65.1° |
| C29 | N28 | C27 | H27 | 147.1° | 60.0° |
| C29 | N28 | C27 | H27A | 27.1° | 60.0° |
| N28 | C29 | C31 | H31 | 179.9° | 55.0° |
| O30 | C29 | C31 | O32 | 119.7° | 5.0° |
| O30 | C29 | C31 | C33 | 117.2° | 115.0° |
| O30 | C29 | N28 | HN28 | 180.0° | 180.0° |
| O30 | C29 | C31 | H31 | 0.6° | 124.9° |
| C29 | C31 | O32 | C33 | 124.5° | 120.0° |
| C29 | C31 | O32 | H31 | 117.6° | 120.0° |
| C29 | C31 | C33 | H31 | 117.4° | 120.1° |
| C29 | C31 | C33 | C34 | 164.6° | 175.0° |
| C29 | C31 | C33 | C38 | 72.7° | 65.0° |
| C31 | C29 | N28 | HN28 | 0.8° | 0.1° |
| C29 | C31 | O32 | HO32 | 180.0° | 60.0° |
| C29 | C31 | C33 | H33 | 48.1° | 55.0° |
| O32 | C31 | C33 | H31 | 119.2° | 119.9° |
| O32 | C31 | C33 | C34 | 72.0° | 65.0° |
| O32 | C31 | C33 | C38 | 50.7° | 55.0° |
| O32 | C31 | C33 | H33 | 171.5° | 175.0° |
| C31 | C33 | C34 | C38 | 123.4° | 120.0° |
| C31 | C33 | C34 | H33 | 115.7° | 120.0° |
| C31 | C33 | C38 | H33 | 116.2° | 120.0° |
| C31 | C33 | C34 | C35 | 56.3° | 60.0° |
| C31 | C33 | C34 | C36 | 179.2° | 180.0° |
| C31 | C33 | C38 | O39 | 111.2° | 120.0° |
| C33 | C31 | O32 | HO32 | 55.5° | 60.0° |
| C31 | C33 | C34 | H34 | 61.0° | 60.1° |
| C31 | C33 | C38 | H38 | 68.8° | 60.1° |
| C34 | C33 | C38 | H33 | 117.1° | 120.0° |
| C33 | C34 | C35 | C36 | 121.5° | 119.9° |
| C33 | C34 | C35 | H34 | 118.9° | 120.1° |
| C33 | C34 | C36 | H34 | 119.1° | 120.0° |
| C33 | C34 | C36 | C37 | 179.7° | 175.0° |
| C34 | C33 | C38 | O39 | 122.1° | 120.0° |
| C34 | C33 | C31 | H31 | 47.2° | 54.9° |
| C33 | C34 | C35 | H35 | 180.0° | 180.0° |
| C33 | C34 | C35 | H35A | 60.0° | 60.1° |
| C33 | C34 | C35 | H35B | 60.0° | 60.0° |
| C33 | C34 | C36 | H36 | 60.3° | 65.0° |
| C33 | C34 | C36 | H36A | 59.7° | 55.0° |
| C34 | C33 | C38 | H38 | 57.9° | 59.9° |
| C38 | C33 | C34 | C35 | 179.6° | 180.0° |
| C38 | C33 | C34 | C36 | 57.4° | 60.0° |
| C33 | C38 | O39 | H38 | 180.0° | 179.9° |
| C38 | C33 | C31 | H31 | 169.8° | 175.0° |
| C38 | C33 | C34 | H34 | 62.3° | 59.9° |
| C35 | C34 | C36 | H34 | 117.3° | 120.0° |
| C35 | C34 | C36 | C37 | 56.7° | 65.0° |
| C35 | C34 | C33 | H33 | 59.5° | 59.9° |
| C34 | C35 | H35 | H35A | 120.0° | 119.9° |
| C34 | C35 | H35 | H35B | 120.0° | 120.1° |
| C34 | C35 | H35A | H35B | 120.0° | 120.1° |
| C35 | C34 | C36 | H36 | 63.3° | 55.0° |
| C35 | C34 | C36 | H36A | 176.7° | 175.0° |
| C34 | C36 | C37 | H36 | 120.0° | 120.0° |
| C34 | C36 | C37 | H36A | 120.0° | 119.9° |
| C36 | C34 | C33 | H33 | 63.5° | 60.0° |
| C36 | C34 | C35 | H35 | 58.5° | 60.1° |
| C36 | C34 | C35 | H35A | 178.5° | 180.0° |
| C36 | C34 | C35 | H35B | 61.5° | 60.0° |
| C34 | C36 | H36 | H36A | 117.5° | 120.0° |
| C34 | C36 | C37 | H37 | 180.0° | 60.0° |
| C34 | C36 | C37 | H37A | 60.0° | 60.0° |
| C34 | C36 | C37 | H37B | 60.0° | 180.0° |
| C37 | C36 | C34 | H34 | 60.6° | 55.0° |
| C37 | C36 | H36 | H36A | 117.5° | 120.1° |
| C36 | C37 | H37 | H37A | 120.0° | 120.1° |
| C36 | C37 | H37 | H37B | 120.0° | 120.0° |
| C36 | C37 | H37A | H37B | 120.0° | 120.0° |
| O39 | C38 | C33 | H33 | 4.9° | 0.0° |
| C40 | C41 | C42 | C46 | 179.5° | 179.9° |
| C40 | C41 | C42 | C43 | 179.6° | 179.9° |
| C40 | C41 | C46 | C45 | 179.5° | 179.9° |
| C40 | C41 | C42 | H42 | 0.4° | 0.0° |
| C41 | C42 | C43 | H42 | 180.0° | 179.9° |
| C41 | C42 | C43 | C44 | 0.5° | 0.0° |
| C42 | C41 | C46 | C45 | 1.0° | 0.0° |
| C42 | C41 | C40 | H40 | 0.2° | 0.1° |
| C41 | C42 | C43 | H43 | 179.5° | 180.0° |
| C46 | C41 | C42 | C43 | 0.9° | 0.0° |
| C41 | C46 | C45 | C44 | 0.6° | 0.0° |
| C41 | C46 | C1 | H1 | 179.8° | 179.7° |
| C46 | C41 | C40 | H40 | 179.3° | 180.0° |
| C46 | C41 | C42 | H42 | 179.1° | 179.9° |
| C41 | C46 | C45 | H45 | 179.4° | 180.0° |
| C42 | C43 | C44 | H43 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 0.1° | 0.0° |
| C42 | C43 | C44 | H44 | 179.9° | 180.0° |
| C43 | C44 | C45 | H44 | 180.0° | 180.0° |
| C43 | C44 | C45 | C46 | 0.1° | 0.1° |
| C44 | C43 | C42 | H42 | 179.5° | 179.9° |
| C43 | C44 | C45 | H45 | 179.8° | 180.0° |
| C44 | C45 | C46 | H45 | 180.0° | 180.0° |
| C45 | C44 | C43 | H43 | 179.9° | 179.9° |
| C45 | C46 | C1 | H1 | 0.7° | 0.3° |
| C46 | C45 | C44 | H44 | 179.8° | 180.0° |
| H1 | C1 | C2 | H2 | 0.3° | 0.3° |
| HN8 | N8 | C9 | H9 | 101.9° | 145.0° |
| H9 | C9 | C10 | H10 | 60.7° | 180.0° |
| H9 | C9 | C10 | H10A | 59.3° | 60.0° |
| H9 | C9 | C10 | H10B | 179.3° | 60.1° |
| H10 | C10 | H10A | H10B | 120.0° | 120.0° |
| HN13 | N13 | C14 | H14 | 6.8° | 145.0° |
| H14 | C14 | C25 | H25 | 87.3° | 175.0° |
| H14 | C14 | C25 | H25A | 152.7° | 65.0° |
| H20 | C20 | C21 | H21 | 0.0° | 0.0° |
| H21 | C21 | C22 | H22 | 0.1° | 0.1° |
| H22 | C22 | C23 | H23 | 0.0° | 0.0° |
| H23 | C23 | C24 | H24 | 0.1° | 0.1° |
| H25 | C25 | C26 | H26 | 82.1° | 179.9° |
| H25 | C25 | C26 | H26A | 157.9° | 60.0° |
| H25A | C25 | C26 | H26 | 37.9° | 60.1° |
| H25A | C25 | C26 | H26A | 82.1° | NaN° |
| H26 | C26 | C27 | H27 | 147.2° | 179.9° |
| H26 | C26 | C27 | H27A | 27.2° | 60.0° |
| H26A | C26 | C27 | H27 | 92.9° | 60.0° |
| H26A | C26 | C27 | H27A | 147.1° | 180.0° |
| H27 | C27 | N28 | HN28 | 32.9° | 120.0° |
| H27A | C27 | N28 | HN28 | 152.9° | 120.0° |
| H31 | C31 | O32 | HO32 | 62.4° | 180.0° |
| H31 | C31 | C33 | H33 | 69.4° | 65.0° |
| H33 | C33 | C34 | H34 | 176.8° | 180.0° |
| H33 | C33 | C38 | H38 | 175.1° | 179.9° |
| H34 | C34 | C35 | H35 | 61.1° | 59.9° |
| H34 | C34 | C35 | H35A | 58.9° | 60.0° |
| H34 | C34 | C35 | H35B | 178.9° | 179.9° |
| H34 | C34 | C36 | H36 | 179.4° | 175.0° |
| H34 | C34 | C36 | H36A | 59.4° | 65.0° |
| H35 | C35 | H35A | H35B | 120.0° | 120.0° |
| H36 | C36 | C37 | H37 | 60.0° | 180.0° |
| H36 | C36 | C37 | H37A | 180.0° | 60.0° |
| H36 | C36 | C37 | H37B | 60.0° | 60.0° |
| H36A | C36 | C37 | H37 | 60.0° | 59.9° |
| H36A | C36 | C37 | H37A | 60.0° | 180.0° |
| H36A | C36 | C37 | H37B | 180.0° | 60.0° |
| H37 | C37 | H37A | H37B | 120.0° | 120.0° |
| H42 | C42 | C43 | H43 | 0.5° | 0.1° |
| H43 | C43 | C44 | H44 | 0.1° | 0.0° |
| H44 | C44 | C45 | H45 | 0.2° | 0.0° |
