P39
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | doub | 1.38Å | 1.44Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.43Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | C16 | doub | 1.38Å | 1.45Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | C16 | sing | 1.38Å | 1.43Å | Aromatic |
| C16 | C14 | sing | 1.51Å | 1.43Å | |
| C15 | C14 | sing | 1.53Å | 1.48Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| N22 | C23 | sing | 1.40Å | 1.39Å | |
| C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | C24 | sing | 1.51Å | 1.53Å | |
| C24 | C25 | sing | 1.38Å | 1.44Å | Aromatic |
| N13 | C11 | sing | 1.35Å | 1.33Å | |
| C11 | O12 | doub | 1.22Å | 1.27Å | |
| C11 | C8 | sing | 1.47Å | 1.46Å | |
| C33 | C34 | doub | 1.39Å | 1.47Å | Aromatic |
| C34 | C35 | sing | 1.39Å | 1.34Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C28 | C27 | doub | 1.39Å | 1.44Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.44Å | Aromatic |
| C27 | N30 | sing | 1.40Å | 1.39Å | |
| C31 | C33 | sing | 1.48Å | 1.53Å | |
| C33 | C38 | sing | 1.40Å | 1.38Å | Aromatic |
| C9 | N1 | sing | 1.34Å | 1.35Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.32Å | Aromatic |
| N1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| N2 | C3 | doub | 1.30Å | 1.37Å | Aromatic |
| C3 | N4 | sing | 1.33Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | N4 | doub | 1.32Å | 1.28Å | Aromatic |
| C6 | C5 | sing | 1.42Å | 1.43Å | Aromatic |
| C5 | N22 | sing | 1.38Å | 1.40Å | |
| C7 | C6 | doub | 1.38Å | 1.46Å | Aromatic |
| C8 | C7 | sing | 1.41Å | 1.46Å | Aromatic |
| C7 | C10 | sing | 1.51Å | 1.63Å | |
| C9 | C8 | doub | 1.39Å | 1.47Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C14 | N13 | sing | 1.47Å | 1.41Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| N22 | HN22 | sing | 0.97Å | 1.00Å | |
| C25 | C26 | doub | 1.38Å | 1.43Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| N30 | C31 | sing | 1.35Å | 1.33Å | |
| N30 | HN30 | sing | 0.97Å | 1.00Å | |
| O32 | C31 | doub | 1.22Å | 1.21Å | |
| C35 | C36 | doub | 1.39Å | 1.33Å | Aromatic |
| C35 | N39 | sing | 1.40Å | 1.37Å | |
| C37 | C36 | sing | 1.38Å | 1.32Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C38 | C37 | doub | 1.38Å | 1.36Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C40 | N39 | sing | 1.47Å | 1.41Å | |
| N39 | C44 | sing | 1.47Å | 1.50Å | |
| C40 | C41 | sing | 1.53Å | 1.57Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C41 | O42 | sing | 1.43Å | 1.42Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| O42 | C43 | sing | 1.43Å | 1.43Å | |
| C44 | C43 | sing | 1.53Å | 1.58Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C17 | 121.8° | 120.0° |
| C19 | C18 | H18 | 119.1° | 120.0° |
| C18 | C19 | C20 | 122.9° | 120.0° |
| C18 | C19 | H19 | 118.6° | 120.0° |
| C17 | C18 | H18 | 119.1° | 120.0° |
| C18 | C17 | C16 | 113.7° | 120.0° |
| C18 | C17 | H17 | 123.1° | 120.0° |
| C16 | C17 | H17 | 123.2° | 119.9° |
| C17 | C16 | C21 | 123.7° | 120.0° |
| C17 | C16 | C14 | 118.9° | 120.0° |
| C21 | C16 | C14 | 117.5° | 120.0° |
| C16 | C21 | C20 | 121.9° | 120.0° |
| C16 | C21 | H21 | 119.1° | 120.0° |
| C16 | C14 | C15 | 99.0° | 109.5° |
| C16 | C14 | N13 | 102.2° | 109.4° |
| C16 | C14 | H14 | 122.5° | 109.5° |
| C14 | C15 | H15 | 109.5° | 109.4° |
| C14 | C15 | H15A | 109.5° | 109.5° |
| C14 | C15 | H15B | 109.5° | 109.5° |
| C15 | C14 | N13 | 116.1° | 109.5° |
| C15 | C14 | H14 | 110.1° | 109.5° |
| H15 | C15 | H15A | 109.4° | 109.5° |
| H15 | C15 | H15B | 109.4° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.4° |
| C20 | C19 | H19 | 118.6° | 120.0° |
| C19 | C20 | C21 | 116.1° | 120.0° |
| C19 | C20 | H20 | 121.9° | 120.0° |
| C21 | C20 | H20 | 122.0° | 120.0° |
| C20 | C21 | H21 | 119.1° | 120.0° |
| N22 | C23 | C24 | 118.2° | 120.0° |
| N22 | C23 | C28 | 121.5° | 120.0° |
| C23 | N22 | C5 | 123.8° | 120.0° |
| C23 | N22 | HN22 | 118.1° | 120.0° |
| C24 | C23 | C28 | 120.3° | 119.9° |
| C23 | C24 | C29 | 119.6° | 120.0° |
| C23 | C24 | C25 | 116.8° | 120.1° |
| C23 | C28 | C27 | 126.3° | 119.9° |
| C23 | C28 | H28 | 116.8° | 120.1° |
| C29 | C24 | C25 | 123.5° | 120.0° |
| C24 | C29 | H29 | 109.5° | 109.5° |
| C24 | C29 | H29A | 109.5° | 109.5° |
| C24 | C29 | H29B | 109.4° | 109.5° |
| C24 | C25 | C26 | 122.5° | 120.2° |
| C24 | C25 | H25 | 118.8° | 119.9° |
| N13 | C11 | O12 | 119.2° | 120.0° |
| N13 | C11 | C8 | 115.7° | 120.0° |
| C11 | N13 | C14 | 111.1° | 120.0° |
| C11 | N13 | HN13 | 124.4° | 120.0° |
| O12 | C11 | C8 | 124.6° | 120.0° |
| C11 | C8 | C7 | 126.3° | 126.4° |
| C11 | C8 | C9 | 124.7° | 126.4° |
| C33 | C34 | C35 | 121.0° | 119.8° |
| C33 | C34 | H34 | 119.5° | 120.1° |
| C34 | C33 | C31 | 120.3° | 120.1° |
| C34 | C33 | C38 | 118.0° | 119.7° |
| C35 | C34 | H34 | 119.6° | 120.1° |
| C34 | C35 | C36 | 113.8° | 120.0° |
| C34 | C35 | N39 | 123.5° | 120.0° |
| C28 | C27 | C26 | 113.2° | 119.9° |
| C28 | C27 | N30 | 127.1° | 120.0° |
| C27 | C28 | H28 | 116.9° | 120.1° |
| C26 | C27 | N30 | 119.7° | 120.1° |
| C27 | C26 | C25 | 120.8° | 120.1° |
| C27 | C26 | H26 | 119.6° | 119.9° |
| C27 | N30 | C31 | 120.2° | 120.0° |
| C27 | N30 | HN30 | 119.9° | 120.0° |
| C31 | C33 | C38 | 121.7° | 120.2° |
| C33 | C31 | N30 | 121.6° | 120.0° |
| C33 | C31 | O32 | 113.0° | 120.0° |
| C33 | C38 | C37 | 119.7° | 120.0° |
| C33 | C38 | H38 | 120.1° | 120.0° |
| C9 | N1 | N2 | 133.7° | 132.8° |
| C9 | N1 | C6 | 109.1° | 109.0° |
| N1 | C9 | C8 | 108.3° | 108.8° |
| N1 | C9 | H9 | 125.8° | 125.6° |
| N2 | N1 | C6 | 117.3° | 118.2° |
| N1 | N2 | C3 | 125.9° | 120.1° |
| N1 | C6 | C5 | 114.0° | 118.5° |
| N1 | C6 | C7 | 111.3° | 108.2° |
| N2 | C3 | N4 | 118.7° | 122.3° |
| N2 | C3 | H3 | 120.7° | 118.8° |
| N4 | C3 | H3 | 120.7° | 118.8° |
| C3 | N4 | C5 | 115.9° | 121.6° |
| N4 | C5 | C6 | 128.2° | 119.2° |
| N4 | C5 | N22 | 110.0° | 120.4° |
| C6 | C5 | N22 | 121.8° | 120.4° |
| C5 | C6 | C7 | 134.7° | 133.4° |
| C5 | N22 | HN22 | 118.1° | 120.0° |
| C6 | C7 | C8 | 102.4° | 106.8° |
| C6 | C7 | C10 | 130.4° | 126.6° |
| C8 | C7 | C10 | 127.3° | 126.6° |
| C7 | C8 | C9 | 108.9° | 107.2° |
| C7 | C10 | H10 | 109.5° | 109.5° |
| C7 | C10 | H10A | 109.5° | 109.4° |
| C7 | C10 | H10B | 109.4° | 109.4° |
| C8 | C9 | H9 | 125.8° | 125.6° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H10 | C10 | H10B | 109.4° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| C14 | N13 | HN13 | 124.4° | 120.0° |
| N13 | C14 | H14 | 107.2° | 109.5° |
| C26 | C25 | H25 | 118.7° | 119.9° |
| C25 | C26 | H26 | 119.6° | 120.0° |
| H29 | C29 | H29A | 109.5° | 109.5° |
| H29 | C29 | H29B | 109.5° | 109.4° |
| H29A | C29 | H29B | 109.5° | 109.5° |
| C31 | N30 | HN30 | 119.9° | 120.0° |
| N30 | C31 | O32 | 125.3° | 120.0° |
| C36 | C35 | N39 | 122.6° | 120.0° |
| C35 | C36 | C37 | 131.3° | 120.3° |
| C35 | C36 | H36 | 114.3° | 119.8° |
| C35 | N39 | C40 | 115.9° | 111.0° |
| C35 | N39 | C44 | 122.2° | 111.0° |
| C37 | C36 | H36 | 114.3° | 119.9° |
| C36 | C37 | C38 | 116.2° | 120.2° |
| C36 | C37 | H37 | 121.9° | 119.9° |
| C38 | C37 | H37 | 121.9° | 119.9° |
| C37 | C38 | H38 | 120.2° | 120.0° |
| C40 | N39 | C44 | 121.6° | 110.7° |
| N39 | C40 | C41 | 111.2° | 109.3° |
| N39 | C40 | H40 | 108.9° | 109.5° |
| N39 | C40 | H40A | 108.5° | 109.5° |
| N39 | C44 | C43 | 113.9° | 109.2° |
| N39 | C44 | H44 | 108.0° | 109.5° |
| N39 | C44 | H44A | 107.0° | 109.6° |
| C41 | C40 | H40 | 108.9° | 109.5° |
| C41 | C40 | H40A | 108.5° | 109.5° |
| C40 | C41 | O42 | 121.6° | 109.3° |
| C40 | C41 | H41 | 105.6° | 109.5° |
| C40 | C41 | H41A | 102.8° | 109.5° |
| H40 | C40 | H40A | 110.8° | 109.5° |
| O42 | C41 | H41 | 105.6° | 109.5° |
| O42 | C41 | H41A | 102.8° | 109.5° |
| C41 | O42 | C43 | 119.4° | 113.8° |
| H41 | C41 | H41A | 119.6° | 109.5° |
| O42 | C43 | C44 | 101.1° | 109.3° |
| O42 | C43 | H43 | 112.4° | 109.5° |
| O42 | C43 | H43A | 114.1° | 109.5° |
| C44 | C43 | H43 | 112.3° | 109.5° |
| C44 | C43 | H43A | 114.1° | 109.6° |
| C43 | C44 | H44 | 108.0° | 109.5° |
| C43 | C44 | H44A | 107.0° | 109.5° |
| H43 | C43 | H43A | 103.2° | 109.4° |
| H44 | C44 | H44A | 113.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C17 | H18 | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 0.2° | 0.3° |
| C19 | C18 | C17 | H17 | 179.8° | 179.7° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.6° | 0.5° |
| C18 | C19 | C20 | H20 | 179.3° | 180.0° |
| C18 | C17 | C16 | H17 | 180.0° | 180.0° |
| C18 | C17 | C16 | C21 | 0.7° | 0.0° |
| C18 | C17 | C16 | C14 | 178.4° | 180.0° |
| C17 | C18 | C19 | C20 | 0.5° | 0.0° |
| C17 | C18 | C19 | H19 | 179.5° | 180.0° |
| H18 | C18 | C17 | C16 | 179.8° | 180.0° |
| H18 | C18 | C17 | H17 | 0.2° | 0.0° |
| H18 | C18 | C19 | C20 | 179.5° | 179.7° |
| H18 | C18 | C19 | H19 | 0.5° | 0.3° |
| C17 | C16 | C21 | C14 | 179.2° | 179.9° |
| C17 | C16 | C14 | C15 | 82.3° | 100.0° |
| C17 | C16 | C21 | C20 | 0.6° | 0.6° |
| C17 | C16 | C21 | H21 | 179.4° | 179.8° |
| C17 | C16 | C14 | N13 | 158.4° | 140.0° |
| C17 | C16 | C14 | H14 | 38.6° | 20.0° |
| H17 | C17 | C16 | C21 | 179.2° | 180.0° |
| H17 | C17 | C16 | C14 | 1.6° | 0.0° |
| C21 | C16 | C14 | C15 | 96.9° | 79.9° |
| C16 | C21 | C20 | C19 | 0.1° | 0.8° |
| C16 | C21 | C20 | H21 | 180.0° | 179.2° |
| C16 | C21 | C20 | H20 | 179.9° | 179.7° |
| C21 | C16 | C14 | N13 | 22.4° | 40.0° |
| C21 | C16 | C14 | H14 | 142.2° | 160.0° |
| C16 | C14 | C15 | N13 | 108.4° | 120.0° |
| C16 | C14 | C15 | H14 | 129.5° | 120.0° |
| C16 | C14 | C15 | H15 | 1.1° | 60.0° |
| C16 | C14 | C15 | H15A | 118.9° | 180.0° |
| C16 | C14 | C15 | H15B | 121.1° | 60.0° |
| C14 | C16 | C21 | C20 | 178.5° | 179.5° |
| C14 | C16 | C21 | H21 | 1.4° | 0.3° |
| C16 | C14 | N13 | C11 | 112.1° | 155.0° |
| C16 | C14 | N13 | H14 | 130.0° | 120.0° |
| C16 | C14 | N13 | HN13 | 67.9° | 25.1° |
| C14 | C15 | H15 | H15A | 120.0° | 120.0° |
| C14 | C15 | H15 | H15B | 120.0° | 120.0° |
| C14 | C15 | H15A | H15B | 120.0° | 120.0° |
| C15 | C14 | N13 | C11 | 141.4° | 85.0° |
| C15 | C14 | N13 | H14 | 123.5° | 120.0° |
| C15 | C14 | N13 | HN13 | 38.6° | 94.9° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
| H15 | C15 | C14 | N13 | 107.3° | 180.0° |
| H15 | C15 | C14 | H14 | 130.6° | 60.0° |
| H15A | C15 | C14 | N13 | 132.7° | 60.0° |
| H15A | C15 | C14 | H14 | 10.7° | 60.0° |
| H15B | C15 | C14 | N13 | 12.6° | 60.0° |
| H15B | C15 | C14 | H14 | 109.4° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.4° |
| C19 | C20 | C21 | H21 | 179.9° | 180.0° |
| H19 | C19 | C20 | C21 | 179.4° | 179.5° |
| H19 | C19 | C20 | H20 | 0.7° | 0.0° |
| H20 | C20 | C21 | H21 | 0.1° | 0.5° |
| N22 | C23 | C24 | C28 | 179.7° | 179.7° |
| N22 | C23 | C24 | C29 | 1.0° | 0.3° |
| N22 | C23 | C24 | C25 | 180.0° | 179.7° |
| N22 | C23 | C28 | C27 | 179.4° | 179.7° |
| C23 | N22 | C5 | N4 | 4.9° | 2.8° |
| C23 | N22 | C5 | C6 | 175.7° | 177.2° |
| C23 | N22 | C5 | HN22 | 180.0° | 179.9° |
| N22 | C23 | C28 | H28 | 0.6° | 0.2° |
| C23 | C24 | C29 | C25 | 179.0° | 180.0° |
| C24 | C23 | C28 | C27 | 0.9° | 0.1° |
| C24 | C23 | N22 | C5 | 102.0° | 145.0° |
| C24 | C23 | N22 | HN22 | 78.0° | 34.9° |
| C23 | C24 | C25 | C26 | 0.0° | 0.0° |
| C23 | C24 | C25 | H25 | 180.0° | 180.0° |
| C24 | C23 | C28 | H28 | 179.0° | 180.0° |
| C23 | C24 | C29 | H29 | 163.2° | 90.0° |
| C23 | C24 | C29 | H29A | 43.2° | 150.0° |
| C23 | C24 | C29 | H29B | 76.8° | 30.0° |
| C28 | C23 | C24 | C29 | 178.7° | 180.0° |
| C28 | C23 | C24 | C25 | 0.3° | 0.0° |
| C23 | C28 | C27 | H28 | 180.0° | 179.9° |
| C23 | C28 | C27 | C26 | 1.1° | 0.1° |
| C23 | C28 | C27 | N30 | 179.7° | 179.9° |
| C28 | C23 | N22 | C5 | 77.7° | 34.7° |
| C28 | C23 | N22 | HN22 | 102.3° | 145.4° |
| C29 | C24 | C25 | C26 | 179.0° | 180.0° |
| C29 | C24 | C25 | H25 | 1.0° | 0.0° |
| C24 | C29 | H29 | H29A | 120.0° | 120.0° |
| C24 | C29 | H29 | H29B | 120.0° | 120.0° |
| C24 | C29 | H29A | H29B | 120.0° | 120.0° |
| C24 | C25 | C26 | C27 | 0.3° | 0.0° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | H26 | 179.7° | 180.0° |
| C25 | C24 | C29 | H29 | 17.8° | 90.0° |
| C25 | C24 | C29 | H29A | 137.8° | 30.0° |
| C25 | C24 | C29 | H29B | 102.1° | 150.0° |
| N13 | C11 | O12 | C8 | 171.2° | 180.0° |
| N13 | C11 | C8 | C7 | 179.2° | 180.0° |
| N13 | C11 | C8 | C9 | 5.0° | 0.3° |
| C11 | N13 | C14 | HN13 | 180.0° | 179.9° |
| C11 | N13 | C14 | H14 | 17.9° | 35.0° |
| O12 | C11 | C8 | C7 | 9.3° | 0.0° |
| O12 | C11 | C8 | C9 | 166.5° | 179.7° |
| O12 | C11 | N13 | C14 | 15.2° | 0.0° |
| O12 | C11 | N13 | HN13 | 164.8° | 179.9° |
| C11 | C8 | C9 | N1 | 175.9° | 179.9° |
| C11 | C8 | C7 | C6 | 175.5° | 180.0° |
| C11 | C8 | C7 | C9 | 176.3° | 179.7° |
| C11 | C8 | C7 | C10 | 2.9° | 0.0° |
| C11 | C8 | C9 | H9 | 4.2° | 0.0° |
| C8 | C11 | N13 | C14 | 172.8° | 180.0° |
| C8 | C11 | N13 | HN13 | 7.2° | 0.1° |
| C33 | C34 | C35 | H34 | 180.0° | 179.7° |
| C34 | C33 | C31 | C38 | 179.3° | 179.9° |
| C34 | C33 | C31 | N30 | 156.2° | 180.0° |
| C34 | C33 | C31 | O32 | 25.6° | 0.1° |
| C33 | C34 | C35 | C36 | 1.3° | 0.3° |
| C33 | C34 | C35 | N39 | 178.4° | 179.7° |
| C34 | C33 | C38 | C37 | 2.4° | 0.4° |
| C34 | C33 | C38 | H38 | 177.7° | 180.0° |
| C35 | C34 | C33 | C31 | 178.3° | 180.0° |
| C35 | C34 | C33 | C38 | 2.4° | 0.1° |
| C34 | C35 | C36 | N39 | 177.2° | 180.0° |
| C34 | C35 | C36 | C37 | 0.3° | 0.0° |
| C34 | C35 | C36 | H36 | 179.7° | 180.0° |
| C34 | C35 | N39 | C40 | 7.8° | 56.4° |
| C34 | C35 | N39 | C44 | 165.3° | 180.0° |
| H34 | C34 | C33 | C31 | 1.8° | 0.3° |
| H34 | C34 | C33 | C38 | 177.6° | 179.8° |
| H34 | C34 | C35 | C36 | 178.7° | 180.0° |
| H34 | C34 | C35 | N39 | 1.6° | 0.0° |
| C28 | C27 | C26 | N30 | 179.3° | 180.0° |
| C28 | C27 | C26 | C25 | 0.7° | 0.0° |
| C28 | C27 | C26 | H26 | 179.3° | 180.0° |
| C28 | C27 | N30 | C31 | 22.7° | 148.2° |
| C28 | C27 | N30 | HN30 | 157.3° | 31.8° |
| C27 | C26 | C25 | H26 | 180.0° | 180.0° |
| C27 | C26 | C25 | H25 | 179.7° | 180.0° |
| C26 | C27 | C28 | H28 | 178.9° | 180.0° |
| C26 | C27 | N30 | C31 | 158.1° | 31.8° |
| C26 | C27 | N30 | HN30 | 21.9° | 148.2° |
| C27 | N30 | C31 | C33 | 178.9° | 174.7° |
| N30 | C27 | C26 | C25 | 180.0° | 180.0° |
| N30 | C27 | C26 | H26 | 0.0° | 0.0° |
| N30 | C27 | C28 | H28 | 0.4° | 0.0° |
| C27 | N30 | C31 | HN30 | 180.0° | 180.0° |
| C27 | N30 | C31 | O32 | 1.0° | 5.3° |
| C33 | C31 | N30 | O32 | 177.9° | 180.0° |
| C33 | C31 | N30 | HN30 | 1.1° | 5.3° |
| C31 | C33 | C38 | C37 | 178.3° | 179.5° |
| C31 | C33 | C38 | H38 | 1.7° | 0.1° |
| C38 | C33 | C31 | N30 | 24.4° | 0.1° |
| C38 | C33 | C31 | O32 | 153.7° | 180.0° |
| C33 | C38 | C37 | C36 | 1.4° | 0.7° |
| C33 | C38 | C37 | H38 | 180.0° | 179.6° |
| C33 | C38 | C37 | H37 | 178.7° | 179.9° |
| C9 | N1 | N2 | C6 | 179.4° | 179.7° |
| C9 | N1 | N2 | C3 | 179.6° | 179.7° |
| C9 | N1 | C6 | C5 | 178.8° | 179.8° |
| C9 | N1 | C6 | C7 | 0.5° | 0.2° |
| N1 | C9 | C8 | C7 | 0.6° | 0.4° |
| N1 | C9 | C8 | H9 | 180.0° | 179.9° |
| N1 | N2 | C3 | N4 | 0.2° | 0.0° |
| N1 | N2 | C3 | H3 | 179.9° | 180.0° |
| N2 | N1 | C6 | C5 | 0.7° | 0.0° |
| N2 | N1 | C6 | C7 | 179.9° | 180.0° |
| N2 | N1 | C9 | C8 | 179.4° | 179.9° |
| N2 | N1 | C9 | H9 | 0.6° | 0.0° |
| C6 | N1 | N2 | C3 | 0.2° | 0.0° |
| N1 | C6 | C5 | N4 | 1.9° | 0.0° |
| N1 | C6 | C5 | C7 | 179.2° | 180.0° |
| N1 | C6 | C5 | N22 | 178.8° | 179.9° |
| N1 | C6 | C7 | C8 | 0.8° | 0.0° |
| N1 | C6 | C7 | C10 | 179.2° | 180.0° |
| C6 | N1 | C9 | C8 | 0.0° | 0.4° |
| C6 | N1 | C9 | H9 | 180.0° | 179.7° |
| N2 | C3 | N4 | H3 | 180.0° | 180.0° |
| N2 | C3 | N4 | C5 | 0.8° | 0.0° |
| C3 | N4 | C5 | C6 | 2.0° | 0.0° |
| C3 | N4 | C5 | N22 | 178.7° | 179.9° |
| H3 | C3 | N4 | C5 | 179.2° | 180.0° |
| N4 | C5 | C6 | N22 | 179.3° | 179.9° |
| N4 | C5 | C6 | C7 | 178.9° | 180.0° |
| N4 | C5 | N22 | HN22 | 175.1° | 177.2° |
| C5 | C6 | C7 | C8 | 178.3° | 180.0° |
| C5 | C6 | C7 | C10 | 0.1° | 0.0° |
| C6 | C5 | N22 | HN22 | 4.3° | 2.7° |
| N22 | C5 | C6 | C7 | 0.4° | 0.1° |
| C6 | C7 | C8 | C10 | 178.5° | 180.0° |
| C6 | C7 | C8 | C9 | 0.8° | 0.3° |
| C6 | C7 | C10 | H10 | 14.6° | 82.5° |
| C6 | C7 | C10 | H10A | 134.6° | 157.5° |
| C6 | C7 | C10 | H10B | 105.4° | 37.5° |
| C7 | C8 | C9 | H9 | 179.4° | 179.7° |
| C8 | C7 | C10 | H10 | 167.4° | 97.5° |
| C8 | C7 | C10 | H10A | 47.4° | 22.5° |
| C8 | C7 | C10 | H10B | 72.6° | 142.5° |
| C10 | C7 | C8 | C9 | 179.3° | 179.8° |
| C7 | C10 | H10 | H10A | 120.0° | 120.0° |
| C7 | C10 | H10 | H10B | 120.0° | 119.9° |
| C7 | C10 | H10A | H10B | 120.0° | 120.0° |
| H10 | C10 | H10A | H10B | 120.0° | 120.0° |
| HN13 | N13 | C14 | H14 | 162.1° | 145.1° |
| H25 | C25 | C26 | H26 | 0.3° | 0.1° |
| H29 | C29 | H29A | H29B | 120.0° | 119.9° |
| HN30 | N30 | C31 | O32 | 179.1° | 174.7° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.3° | 0.5° |
| C35 | C36 | C37 | H37 | 179.8° | 179.9° |
| C36 | C35 | N39 | C40 | 175.3° | 123.6° |
| C36 | C35 | N39 | C44 | 11.6° | 0.0° |
| N39 | C35 | C36 | C37 | 177.4° | 180.0° |
| N39 | C35 | C36 | H36 | 2.6° | 0.0° |
| C35 | N39 | C40 | C44 | 173.2° | 123.8° |
| C35 | N39 | C40 | C41 | 178.6° | 177.6° |
| C35 | N39 | C40 | H40 | 58.6° | 62.4° |
| C35 | N39 | C40 | H40A | 62.1° | 57.7° |
| C35 | N39 | C44 | C43 | 149.1° | 177.6° |
| C35 | N39 | C44 | H44 | 29.1° | 57.7° |
| C35 | N39 | C44 | H44A | 92.9° | 62.5° |
| C36 | C37 | C38 | H37 | 180.0° | 179.4° |
| C36 | C37 | C38 | H38 | 178.7° | 179.7° |
| H36 | C36 | C37 | C38 | 179.7° | 179.5° |
| H36 | C36 | C37 | H37 | 0.3° | 0.1° |
| H37 | C37 | C38 | H38 | 1.3° | 0.3° |
| N39 | C40 | C41 | H40 | 120.0° | 120.0° |
| N39 | C40 | C41 | H40A | 119.3° | 120.0° |
| N39 | C40 | H40 | H40A | 119.3° | 120.1° |
| N39 | C40 | C41 | O42 | 1.2° | 56.8° |
| N39 | C40 | C41 | H41 | 118.8° | 176.8° |
| N39 | C40 | C41 | H41A | 115.1° | 63.1° |
| C40 | N39 | C44 | C43 | 38.2° | 58.6° |
| C40 | N39 | C44 | H44 | 158.2° | 178.5° |
| C40 | N39 | C44 | H44A | 79.9° | 61.3° |
| C44 | N39 | C40 | C41 | 5.4° | 58.6° |
| C44 | N39 | C40 | H40 | 114.6° | 61.3° |
| C44 | N39 | C40 | H40A | 124.7° | 178.6° |
| N39 | C44 | C43 | O42 | 60.0° | 56.9° |
| N39 | C44 | C43 | H44 | 120.0° | 119.9° |
| N39 | C44 | C43 | H44A | 118.1° | 120.0° |
| N39 | C44 | C43 | H43 | 180.0° | 176.8° |
| N39 | C44 | C43 | H43A | 62.9° | 63.1° |
| N39 | C44 | H44 | H44A | 118.2° | 120.2° |
| C41 | C40 | H40 | H40A | 119.3° | 120.1° |
| C40 | C41 | O42 | H41 | 120.0° | 120.0° |
| C40 | C41 | O42 | H41A | 114.0° | 119.9° |
| C40 | C41 | H41 | H41A | 115.0° | 120.1° |
| C40 | C41 | O42 | C43 | 29.4° | 58.6° |
| H40 | C40 | C41 | O42 | 121.2° | 63.1° |
| H40 | C40 | C41 | H41 | 1.3° | 56.8° |
| H40 | C40 | C41 | H41A | 124.8° | 177.0° |
| H40A | C40 | C41 | O42 | 118.1° | 176.8° |
| H40A | C40 | C41 | H41 | 121.9° | 63.3° |
| H40A | C40 | C41 | H41A | 4.2° | 56.9° |
| O42 | C41 | H41 | H41A | 115.0° | 120.1° |
| C41 | O42 | C43 | C44 | 56.2° | 58.7° |
| C41 | O42 | C43 | H43 | 176.2° | 178.6° |
| C41 | O42 | C43 | H43A | 66.7° | 61.3° |
| H41 | C41 | O42 | C43 | 149.4° | 178.6° |
| H41A | C41 | O42 | C43 | 84.6° | 61.3° |
| O42 | C43 | C44 | H43 | 120.0° | 120.0° |
| O42 | C43 | C44 | H43A | 122.9° | 120.0° |
| O42 | C43 | H43 | H43A | 123.4° | 120.1° |
| O42 | C43 | C44 | H44 | 180.0° | 176.8° |
| O42 | C43 | C44 | H44A | 58.0° | 63.1° |
| C44 | C43 | H43 | H43A | 123.4° | 120.1° |
| C43 | C44 | H44 | H44A | 118.2° | 120.1° |
| H43 | C43 | C44 | H44 | 60.0° | 63.3° |
| H43 | C43 | C44 | H44A | 61.9° | 56.9° |
| H43A | C43 | C44 | H44 | 57.1° | 56.8° |
| H43A | C43 | C44 | H44A | 179.0° | 176.9° |
