A8B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.41Å | 1.45Å | Aromatic |
| C1 | C6 | sing | 1.41Å | 1.43Å | Aromatic |
| C1 | N7 | sing | 1.33Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.45Å | Aromatic |
| C2 | C10 | sing | 1.41Å | 1.49Å | Aromatic |
| C3 | C4 | doub | 1.36Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.44Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.39Å | Aromatic |
| N7 | C8 | doub | 1.32Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.46Å | Aromatic |
| C8 | C17 | sing | 1.51Å | 1.52Å | |
| C9 | C10 | doub | 1.39Å | 1.47Å | Aromatic |
| C9 | C14 | sing | 1.51Å | 1.54Å | |
| C10 | N11 | sing | 1.39Å | 1.37Å | |
| N11 | C25 | sing | 1.47Å | 1.46Å | |
| C14 | C15 | sing | 1.53Å | 1.57Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.57Å | |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| C19 | C22 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C24 | sing | 1.53Å | 1.52Å | |
| C22 | C29 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| N24 | C30 | sing | 1.47Å | 1.48Å | |
| N24 | C35 | sing | 1.39Å | 1.37Å | |
| C26 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | N32 | sing | 1.31Å | 1.37Å | Aromatic |
| C27 | C35 | sing | 1.39Å | 1.46Å | Aromatic |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| N32 | C33 | doub | 1.34Å | 1.42Å | Aromatic |
| C33 | C34 | sing | 1.42Å | 1.48Å | Aromatic |
| C33 | C42 | sing | 1.41Å | 1.43Å | Aromatic |
| C34 | C35 | doub | 1.42Å | 1.46Å | Aromatic |
| C34 | C39 | sing | 1.40Å | 1.45Å | Aromatic |
| C39 | C40 | doub | 1.36Å | 1.39Å | Aromatic |
| C40 | C41 | sing | 1.39Å | 1.45Å | Aromatic |
| C41 | C42 | doub | 1.36Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N11 | HN11 | sing | 1.01Å | 1.00Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| N24 | HN24 | sing | 0.97Å | 1.00Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 122.5° | 119.0° |
| C2 | C1 | N7 | 118.9° | 119.7° |
| C1 | C2 | C3 | 115.2° | 119.8° |
| C1 | C2 | C10 | 118.0° | 118.6° |
| C6 | C1 | N7 | 118.5° | 121.3° |
| C1 | C6 | C5 | 120.0° | 119.8° |
| C1 | C6 | H6 | 120.0° | 120.1° |
| C1 | N7 | C8 | 125.5° | 122.6° |
| C3 | C2 | C10 | 126.8° | 121.6° |
| C2 | C3 | C4 | 121.9° | 119.6° |
| C2 | C3 | H3 | 119.0° | 120.2° |
| C2 | C10 | C9 | 119.9° | 118.4° |
| C2 | C10 | N11 | 120.2° | 120.8° |
| C3 | C4 | C5 | 121.1° | 120.8° |
| C4 | C3 | H3 | 119.0° | 120.2° |
| C3 | C4 | H4 | 119.4° | 119.6° |
| C4 | C5 | C6 | 119.3° | 121.1° |
| C5 | C4 | H4 | 119.5° | 119.7° |
| C4 | C5 | H5 | 120.4° | 119.4° |
| C6 | C5 | H5 | 120.3° | 119.5° |
| C5 | C6 | H6 | 120.0° | 120.2° |
| N7 | C8 | C9 | 119.1° | 120.9° |
| N7 | C8 | C17 | 117.7° | 117.0° |
| C9 | C8 | C17 | 123.2° | 122.1° |
| C8 | C9 | C10 | 118.5° | 119.7° |
| C8 | C9 | C14 | 117.3° | 122.8° |
| C8 | C17 | C16 | 113.4° | 110.6° |
| C8 | C17 | H17 | 108.2° | 109.3° |
| C8 | C17 | H17A | 107.3° | 109.2° |
| C10 | C9 | C14 | 124.2° | 117.5° |
| C9 | C10 | N11 | 119.9° | 120.8° |
| C9 | C14 | C15 | 116.4° | 110.6° |
| C9 | C14 | H14 | 107.2° | 109.2° |
| C9 | C14 | H14A | 105.6° | 109.3° |
| C10 | N11 | C25 | 126.7° | 111.0° |
| C10 | N11 | HN11 | 104.1° | 111.1° |
| N11 | C25 | C24 | 112.8° | 109.5° |
| C25 | N11 | HN11 | 104.1° | 111.0° |
| N11 | C25 | H25 | 108.4° | 109.5° |
| N11 | C25 | H25A | 107.6° | 109.4° |
| C14 | C15 | C16 | 109.1° | 108.3° |
| C15 | C14 | H14 | 107.2° | 109.2° |
| C15 | C14 | H14A | 105.6° | 109.3° |
| C14 | C15 | H15 | 109.6° | 109.7° |
| C14 | C15 | H15A | 109.7° | 109.6° |
| C15 | C16 | C17 | 109.0° | 108.5° |
| C16 | C15 | H15 | 109.6° | 109.7° |
| C16 | C15 | H15A | 109.7° | 109.7° |
| C15 | C16 | H16 | 109.6° | 109.6° |
| C15 | C16 | H16A | 109.7° | 109.6° |
| C17 | C16 | H16 | 109.6° | 109.7° |
| C17 | C16 | H16A | 109.7° | 109.6° |
| C16 | C17 | H17 | 108.2° | 109.2° |
| C16 | C17 | H17A | 107.3° | 109.2° |
| C20 | C19 | C22 | 114.7° | 109.4° |
| C19 | C20 | C21 | 110.1° | 109.4° |
| C20 | C19 | H19 | 107.8° | 109.5° |
| C20 | C19 | H19A | 106.6° | 109.5° |
| C19 | C20 | H20 | 109.2° | 109.5° |
| C19 | C20 | H20A | 109.1° | 109.5° |
| C19 | C22 | C29 | 112.8° | 109.4° |
| C22 | C19 | H19 | 107.8° | 109.5° |
| C22 | C19 | H19A | 106.6° | 109.5° |
| C19 | C22 | H22 | 108.4° | 109.5° |
| C19 | C22 | H22A | 107.6° | 109.5° |
| C20 | C21 | C24 | 113.6° | 109.4° |
| C21 | C20 | H20 | 109.3° | 109.5° |
| C21 | C20 | H20A | 109.1° | 109.5° |
| C20 | C21 | H21 | 108.1° | 109.5° |
| C20 | C21 | H21A | 107.2° | 109.5° |
| C21 | C24 | C25 | 109.4° | 109.5° |
| C24 | C21 | H21 | 108.1° | 109.5° |
| C24 | C21 | H21A | 107.2° | 109.5° |
| C21 | C24 | H24 | 109.5° | 109.5° |
| C21 | C24 | H24A | 109.6° | 109.5° |
| C22 | C29 | C30 | 114.0° | 109.5° |
| C29 | C22 | H22 | 108.4° | 109.5° |
| C29 | C22 | H22A | 107.6° | 109.5° |
| C22 | C29 | H29 | 108.0° | 109.5° |
| C22 | C29 | H29A | 106.9° | 109.5° |
| C25 | C24 | H24 | 109.5° | 109.5° |
| C25 | C24 | H24A | 109.5° | 109.4° |
| C24 | C25 | H25 | 108.4° | 109.5° |
| C24 | C25 | H25A | 107.6° | 109.5° |
| C30 | N24 | C35 | 120.8° | 120.0° |
| N24 | C30 | C29 | 110.1° | 109.5° |
| C30 | N24 | HN24 | 105.9° | 120.0° |
| N24 | C30 | H30 | 109.3° | 109.5° |
| N24 | C30 | H30A | 109.1° | 109.5° |
| N24 | C35 | C27 | 120.4° | 121.1° |
| N24 | C35 | C34 | 120.4° | 121.0° |
| C35 | N24 | HN24 | 105.8° | 120.0° |
| C27 | C26 | N32 | 120.8° | 121.9° |
| C26 | C27 | C35 | 120.6° | 119.7° |
| C27 | C26 | H26 | 119.6° | 119.1° |
| C26 | C27 | H27 | 119.7° | 120.2° |
| C26 | N32 | C33 | 122.9° | 121.7° |
| N32 | C26 | H26 | 119.6° | 119.1° |
| C27 | C35 | C34 | 119.2° | 117.9° |
| C35 | C27 | H27 | 119.7° | 120.1° |
| C30 | C29 | H29 | 108.0° | 109.5° |
| C30 | C29 | H29A | 107.0° | 109.5° |
| C29 | C30 | H30 | 109.3° | 109.4° |
| C29 | C30 | H30A | 109.2° | 109.4° |
| N32 | C33 | C34 | 118.9° | 119.9° |
| N32 | C33 | C42 | 119.9° | 121.0° |
| C34 | C33 | C42 | 121.2° | 119.1° |
| C33 | C34 | C35 | 117.6° | 118.9° |
| C33 | C34 | C39 | 117.5° | 119.7° |
| C33 | C42 | C41 | 119.2° | 119.7° |
| C33 | C42 | H42 | 120.4° | 120.1° |
| C35 | C34 | C39 | 124.9° | 121.4° |
| C34 | C39 | C40 | 120.1° | 119.6° |
| C34 | C39 | H39 | 120.0° | 120.2° |
| C39 | C40 | C41 | 121.5° | 120.8° |
| C40 | C39 | H39 | 119.9° | 120.2° |
| C39 | C40 | H40 | 119.3° | 119.6° |
| C40 | C41 | C42 | 120.5° | 121.1° |
| C41 | C40 | H40 | 119.3° | 119.6° |
| C40 | C41 | H41 | 119.8° | 119.4° |
| C42 | C41 | H41 | 119.7° | 119.5° |
| C41 | C42 | H42 | 120.4° | 120.1° |
| H14 | C14 | H14A | 115.1° | 109.2° |
| H15 | C15 | H15A | 109.2° | 109.8° |
| H16 | C16 | H16A | 109.1° | 109.8° |
| H17 | C17 | H17A | 112.6° | 109.2° |
| H19 | C19 | H19A | 113.6° | 109.5° |
| H20 | C20 | H20A | 110.0° | 109.5° |
| H21 | C21 | H21A | 112.8° | 109.5° |
| H22 | C22 | H22A | 112.1° | 109.5° |
| H24 | C24 | H24A | 109.4° | 109.5° |
| H25 | C25 | H25A | 112.1° | 109.5° |
| H29 | C29 | H29A | 113.1° | 109.4° |
| H30 | C30 | H30A | 109.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | N7 | 179.7° | 179.8° |
| C1 | C2 | C3 | C10 | 178.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C2 | C1 | C6 | C5 | 0.1° | 0.2° |
| C2 | C1 | N7 | C8 | 0.6° | 0.0° |
| C1 | C2 | C10 | C9 | 2.2° | 0.5° |
| C1 | C2 | C10 | N11 | 178.2° | 179.9° |
| C1 | C2 | C3 | H3 | 179.9° | 179.9° |
| C2 | C1 | C6 | H6 | 179.8° | 179.9° |
| C6 | C1 | C2 | C3 | 0.1° | 0.2° |
| C6 | C1 | C2 | C10 | 179.2° | 179.8° |
| C1 | C6 | C5 | C4 | 0.0° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | C1 | N7 | C8 | 179.7° | 179.7° |
| C1 | C6 | C5 | H5 | 180.0° | 179.9° |
| N7 | C1 | C2 | C3 | 179.5° | 179.6° |
| N7 | C1 | C2 | C10 | 0.5° | 0.4° |
| N7 | C1 | C6 | C5 | 179.5° | 179.6° |
| C1 | N7 | C8 | C9 | 0.1° | 0.4° |
| C1 | N7 | C8 | C17 | 179.4° | 179.2° |
| N7 | C1 | C6 | H6 | 0.5° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C10 | C9 | 178.9° | 179.5° |
| C3 | C2 | C10 | N11 | 0.7° | 0.1° |
| C2 | C3 | C4 | H4 | 179.7° | 179.9° |
| C10 | C2 | C3 | C4 | 178.9° | 180.0° |
| C2 | C10 | C9 | C8 | 2.8° | 0.2° |
| C2 | C10 | C9 | N11 | 179.6° | 179.6° |
| C2 | C10 | C9 | C14 | 177.8° | 179.8° |
| C2 | C10 | N11 | C25 | 98.2° | 84.4° |
| C10 | C2 | C3 | H3 | 1.1° | 0.1° |
| C2 | C10 | N11 | HN11 | 21.8° | 39.6° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 179.8° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C6 | C5 | C4 | H4 | 179.8° | 179.9° |
| N7 | C8 | C9 | C17 | 179.5° | 179.5° |
| N7 | C8 | C9 | C10 | 1.6° | 0.3° |
| N7 | C8 | C9 | C14 | 178.8° | 179.3° |
| N7 | C8 | C17 | C16 | 163.3° | 162.1° |
| N7 | C8 | C17 | H17 | 43.3° | 77.6° |
| N7 | C8 | C17 | H17A | 78.5° | 41.9° |
| C8 | C9 | C10 | C14 | 179.5° | 179.6° |
| C8 | C9 | C10 | N11 | 177.7° | 179.8° |
| C8 | C9 | C14 | C15 | 14.4° | 17.9° |
| C9 | C8 | C17 | C16 | 17.3° | 18.4° |
| C8 | C9 | C14 | H14 | 134.4° | 102.3° |
| C8 | C9 | C14 | H14A | 102.4° | 138.3° |
| C9 | C8 | C17 | H17 | 137.3° | 101.9° |
| C9 | C8 | C17 | H17A | 101.0° | 138.6° |
| C17 | C8 | C9 | C10 | 178.9° | 179.3° |
| C17 | C8 | C9 | C14 | 0.6° | 1.2° |
| C8 | C17 | C16 | C15 | 49.7° | 51.6° |
| C8 | C17 | C16 | H17 | 120.0° | 120.3° |
| C8 | C17 | C16 | H17A | 118.3° | 120.3° |
| C8 | C17 | C16 | H16 | 169.7° | 68.1° |
| C8 | C17 | C16 | H16A | 70.5° | 171.3° |
| C8 | C17 | H17 | H17A | 118.4° | 119.5° |
| C9 | C10 | N11 | C25 | 81.4° | 96.0° |
| C10 | C9 | C14 | C15 | 166.1° | 162.5° |
| C9 | C10 | N11 | HN11 | 158.6° | 140.0° |
| C10 | C9 | C14 | H14 | 46.1° | 77.3° |
| C10 | C9 | C14 | H14A | 77.1° | 42.2° |
| C14 | C9 | C10 | N11 | 1.8° | 0.6° |
| C9 | C14 | C15 | H14 | 120.0° | 120.2° |
| C9 | C14 | C15 | H14A | 116.8° | 120.4° |
| C9 | C14 | C15 | C16 | 47.2° | 51.0° |
| C9 | C14 | H14 | H14A | 117.2° | 119.5° |
| C9 | C14 | C15 | H15 | 72.8° | 170.7° |
| C9 | C14 | C15 | H15A | 167.3° | 68.6° |
| C10 | N11 | C25 | HN11 | 120.0° | 124.0° |
| C10 | N11 | C25 | C24 | 97.4° | 174.7° |
| C10 | N11 | C25 | H25 | 142.7° | 54.7° |
| C10 | N11 | C25 | H25A | 21.2° | 65.3° |
| N11 | C25 | C24 | C21 | 109.1° | 180.0° |
| N11 | C25 | C24 | H25 | 120.0° | 120.0° |
| N11 | C25 | C24 | H25A | 118.6° | 120.0° |
| N11 | C25 | C24 | H24 | 130.9° | 60.0° |
| N11 | C25 | C24 | H24A | 11.0° | 60.0° |
| N11 | C25 | H25 | H25A | 118.7° | 120.0° |
| C14 | C15 | C16 | H15 | 120.0° | 119.7° |
| C14 | C15 | C16 | H15A | 120.2° | 119.6° |
| C14 | C15 | C16 | C17 | 63.8° | 70.1° |
| C15 | C14 | H14 | H14A | 117.1° | 119.4° |
| C14 | C15 | H15 | H15A | 120.2° | 120.6° |
| C14 | C15 | C16 | H16 | 176.2° | 49.7° |
| C14 | C15 | C16 | H16A | 56.4° | 170.3° |
| C15 | C16 | C17 | H16 | 120.0° | 119.7° |
| C15 | C16 | C17 | H16A | 120.2° | 119.7° |
| C16 | C15 | C14 | H14 | 167.2° | 69.2° |
| C16 | C15 | C14 | H14A | 69.6° | 171.4° |
| C16 | C15 | H15 | H15A | 120.1° | 120.6° |
| C15 | C16 | H16 | H16A | 120.2° | 120.5° |
| C15 | C16 | C17 | H17 | 169.7° | 68.7° |
| C15 | C16 | C17 | H17A | 68.6° | 171.9° |
| C17 | C16 | C15 | H15 | 56.2° | 170.2° |
| C17 | C16 | C15 | H15A | 176.0° | 49.5° |
| C17 | C16 | H16 | H16A | 120.2° | 120.5° |
| C16 | C17 | H17 | H17A | 118.4° | 119.4° |
| C20 | C19 | C22 | H19 | 120.0° | 120.0° |
| C20 | C19 | C22 | H19A | 117.7° | 120.0° |
| C19 | C20 | C21 | H20 | 120.0° | 120.0° |
| C19 | C20 | C21 | H20A | 119.7° | 120.0° |
| C19 | C20 | C21 | C24 | 127.2° | 180.0° |
| C20 | C19 | C22 | C29 | 53.5° | 180.0° |
| C20 | C19 | H19 | H19A | 117.9° | 120.0° |
| C19 | C20 | H20 | H20A | 119.8° | 120.0° |
| C19 | C20 | C21 | H21 | 112.9° | 60.0° |
| C19 | C20 | C21 | H21A | 9.0° | 60.0° |
| C20 | C19 | C22 | H22 | 173.5° | 60.0° |
| C20 | C19 | C22 | H22A | 65.0° | 60.0° |
| C22 | C19 | C20 | C21 | 150.1° | 180.0° |
| C19 | C22 | C29 | H22 | 120.0° | 120.0° |
| C19 | C22 | C29 | H22A | 118.5° | 120.0° |
| C19 | C22 | C29 | C30 | 65.5° | 180.0° |
| C22 | C19 | H19 | H19A | 117.8° | 120.0° |
| C22 | C19 | C20 | H20 | 89.9° | 60.0° |
| C22 | C19 | C20 | H20A | 30.4° | 60.0° |
| C19 | C22 | H22 | H22A | 118.6° | 120.0° |
| C19 | C22 | C29 | H29 | 174.5° | 60.0° |
| C19 | C22 | C29 | H29A | 52.5° | 60.0° |
| C20 | C21 | C24 | H21 | 120.0° | 120.0° |
| C20 | C21 | C24 | H21A | 118.2° | 120.0° |
| C20 | C21 | C24 | C25 | 132.5° | 180.0° |
| C21 | C20 | C19 | H19 | 89.9° | 60.0° |
| C21 | C20 | C19 | H19A | 32.5° | 60.0° |
| C21 | C20 | H20 | H20A | 119.7° | 120.0° |
| C20 | C21 | H21 | H21A | 118.3° | 120.0° |
| C20 | C21 | C24 | H24 | 12.5° | 60.0° |
| C20 | C21 | C24 | H24A | 107.4° | 60.0° |
| C21 | C24 | C25 | H24 | 120.0° | 120.1° |
| C21 | C24 | C25 | H24A | 120.1° | 120.0° |
| C24 | C21 | C20 | H20 | 7.2° | 60.0° |
| C24 | C21 | C20 | H20A | 113.1° | 60.0° |
| C24 | C21 | H21 | H21A | 118.3° | 120.0° |
| C21 | C24 | H24 | H24A | 120.1° | 120.0° |
| C21 | C24 | C25 | H25 | 130.9° | 60.0° |
| C21 | C24 | C25 | H25A | 9.5° | 60.0° |
| C22 | C29 | C30 | N24 | 160.1° | 180.0° |
| C22 | C29 | C30 | H29 | 120.0° | 120.0° |
| C22 | C29 | C30 | H29A | 118.0° | 120.0° |
| C29 | C22 | C19 | H19 | 66.5° | 60.0° |
| C29 | C22 | C19 | H19A | 171.2° | 60.0° |
| C29 | C22 | H22 | H22A | 118.6° | 120.1° |
| C22 | C29 | H29 | H29A | 118.1° | 120.0° |
| C22 | C29 | C30 | H30 | 40.1° | 60.0° |
| C22 | C29 | C30 | H30A | 80.1° | 60.0° |
| C24 | C25 | N11 | HN11 | 22.7° | 61.3° |
| C25 | C24 | C21 | H21 | 107.5° | 60.0° |
| C25 | C24 | C21 | H21A | 14.4° | 60.0° |
| C25 | C24 | H24 | H24A | 120.0° | 120.0° |
| C24 | C25 | H25 | H25A | 118.6° | 120.0° |
| C30 | N24 | C35 | HN24 | 120.0° | 180.0° |
| C30 | N24 | C35 | C27 | 1.3° | 0.0° |
| N24 | C30 | C29 | H30 | 120.0° | 120.0° |
| N24 | C30 | C29 | H30A | 119.8° | 120.0° |
| C30 | N24 | C35 | C34 | 178.7° | 179.9° |
| N24 | C30 | C29 | H29 | 40.1° | 60.0° |
| N24 | C30 | C29 | H29A | 81.9° | 60.0° |
| N24 | C30 | H30 | H30A | 119.7° | 120.0° |
| N24 | C35 | C27 | C26 | 179.8° | 180.0° |
| N24 | C35 | C27 | C34 | 180.0° | 179.9° |
| C35 | N24 | C30 | C29 | 170.4° | 180.0° |
| N24 | C35 | C34 | C33 | 180.0° | 180.0° |
| N24 | C35 | C34 | C39 | 0.7° | 0.2° |
| N24 | C35 | C27 | H27 | 0.2° | 0.1° |
| C35 | N24 | C30 | H30 | 69.6° | 60.0° |
| C35 | N24 | C30 | H30A | 50.6° | 60.0° |
| C27 | C26 | N32 | H26 | 180.0° | 179.7° |
| C26 | C27 | C35 | H27 | 180.0° | 180.0° |
| C27 | C26 | N32 | C33 | 0.2° | 0.1° |
| C26 | C27 | C35 | C34 | 0.2° | 0.1° |
| N32 | C26 | C27 | C35 | 0.3° | 0.1° |
| C26 | N32 | C33 | C34 | 0.0° | 0.1° |
| C26 | N32 | C33 | C42 | 179.5° | 180.0° |
| N32 | C26 | C27 | H27 | 179.7° | 180.0° |
| C27 | C35 | C34 | C33 | 0.0° | 0.1° |
| C27 | C35 | C34 | C39 | 179.2° | 180.0° |
| C27 | C35 | N24 | HN24 | 121.3° | 180.0° |
| C35 | C27 | C26 | H26 | 179.7° | 179.7° |
| C30 | C29 | C22 | H22 | 54.5° | 60.0° |
| C30 | C29 | C22 | H22A | 176.0° | 60.0° |
| C29 | C30 | N24 | HN24 | 69.6° | 0.0° |
| C30 | C29 | H29 | H29A | 118.2° | 120.0° |
| C29 | C30 | H30 | H30A | 119.8° | 120.0° |
| N32 | C33 | C34 | C42 | 179.5° | 179.9° |
| N32 | C33 | C34 | C35 | 0.1° | 0.1° |
| N32 | C33 | C34 | C39 | 179.4° | 180.0° |
| N32 | C33 | C42 | C41 | 179.2° | 180.0° |
| C33 | N32 | C26 | H26 | 179.8° | 179.7° |
| N32 | C33 | C42 | H42 | 0.8° | 0.0° |
| C33 | C34 | C35 | C39 | 179.2° | 179.8° |
| C33 | C34 | C39 | C40 | 0.1° | 0.0° |
| C34 | C33 | C42 | C41 | 0.3° | 0.1° |
| C33 | C34 | C39 | H39 | 179.8° | 180.0° |
| C34 | C33 | C42 | H42 | 179.7° | 180.0° |
| C42 | C33 | C34 | C35 | 179.4° | 179.9° |
| C42 | C33 | C34 | C39 | 0.1° | 0.1° |
| C33 | C42 | C41 | C40 | 0.3° | 0.0° |
| C33 | C42 | C41 | H42 | 180.0° | 180.0° |
| C33 | C42 | C41 | H41 | 179.7° | 180.0° |
| C35 | C34 | C39 | C40 | 179.1° | 179.9° |
| C34 | C35 | N24 | HN24 | 58.7° | 0.1° |
| C34 | C35 | C27 | H27 | 179.8° | 180.0° |
| C35 | C34 | C39 | H39 | 0.9° | 0.1° |
| C34 | C39 | C40 | H39 | 180.0° | 180.0° |
| C34 | C39 | C40 | C41 | 0.2° | 0.0° |
| C34 | C39 | C40 | H40 | 179.8° | 179.9° |
| C39 | C40 | C41 | H40 | 180.0° | 179.9° |
| C39 | C40 | C41 | C42 | 0.1° | 0.0° |
| C39 | C40 | C41 | H41 | 179.9° | 180.0° |
| C40 | C41 | C42 | H41 | 180.0° | 180.0° |
| C41 | C40 | C39 | H39 | 179.8° | 179.9° |
| C40 | C41 | C42 | H42 | 179.7° | 180.0° |
| C42 | C41 | C40 | H40 | 179.9° | 179.9° |
| H3 | C3 | C4 | H4 | 0.3° | 0.0° |
| H4 | C4 | C5 | H5 | 0.3° | 0.1° |
| H5 | C5 | C6 | H6 | 0.0° | 0.0° |
| HN11 | N11 | C25 | H25 | 97.3° | 178.7° |
| HN11 | N11 | C25 | H25A | 141.2° | 58.7° |
| H14 | C14 | C15 | H15 | 47.2° | 50.5° |
| H14 | C14 | C15 | H15A | 72.7° | 171.2° |
| H14A | C14 | C15 | H15 | 170.4° | 68.9° |
| H14A | C14 | C15 | H15A | 50.5° | 51.8° |
| H15 | C15 | C16 | H16 | 63.8° | 70.0° |
| H15 | C15 | C16 | H16A | 176.3° | 50.6° |
| H15A | C15 | C16 | H16 | 56.0° | 169.3° |
| H15A | C15 | C16 | H16A | 63.8° | 70.1° |
| H16 | C16 | C17 | H17 | 70.3° | 171.6° |
| H16 | C16 | C17 | H17A | 51.4° | 52.2° |
| H16A | C16 | C17 | H17 | 49.5° | 51.0° |
| H16A | C16 | C17 | H17A | 171.3° | 68.4° |
| H19 | C19 | C20 | H20 | 30.1° | 60.0° |
| H19 | C19 | C20 | H20A | 150.4° | 180.0° |
| H19 | C19 | C22 | H22 | 53.5° | 180.0° |
| H19 | C19 | C22 | H22A | 175.0° | 60.0° |
| H19A | C19 | C20 | H20 | 152.5° | 180.0° |
| H19A | C19 | C20 | H20A | 87.2° | 60.0° |
| H19A | C19 | C22 | H22 | 68.8° | 59.9° |
| H19A | C19 | C22 | H22A | 52.7° | 180.0° |
| H20 | C20 | C21 | H21 | 127.2° | 180.0° |
| H20 | C20 | C21 | H21A | 111.0° | 60.0° |
| H20A | C20 | C21 | H21 | 6.9° | 59.9° |
| H20A | C20 | C21 | H21A | 128.7° | 180.0° |
| H21 | C21 | C24 | H24 | 132.5° | 180.0° |
| H21 | C21 | C24 | H24A | 12.6° | 60.0° |
| H21A | C21 | C24 | H24 | 105.6° | 60.0° |
| H21A | C21 | C24 | H24A | 134.4° | 180.0° |
| H22 | C22 | C29 | H29 | 65.5° | 180.0° |
| H22 | C22 | C29 | H29A | 172.5° | 60.0° |
| H22A | C22 | C29 | H29 | 56.0° | 60.0° |
| H22A | C22 | C29 | H29A | 66.0° | 179.9° |
| H24 | C24 | C25 | H25 | 10.9° | 60.1° |
| H24 | C24 | C25 | H25A | 110.5° | 179.9° |
| H24A | C24 | C25 | H25 | 109.0° | 180.0° |
| H24A | C24 | C25 | H25A | 129.6° | 60.0° |
| HN24 | N24 | C30 | H30 | 50.3° | 119.9° |
| HN24 | N24 | C30 | H30A | 170.6° | 120.0° |
| H26 | C26 | C27 | H27 | 0.3° | 0.3° |
| H29 | C29 | C30 | H30 | 79.9° | 60.0° |
| H29 | C29 | C30 | H30A | 159.9° | 180.0° |
| H29A | C29 | C30 | H30 | 158.1° | 180.0° |
| H29A | C29 | C30 | H30A | 37.8° | 60.0° |
| H39 | C39 | C40 | H40 | 0.2° | 0.0° |
| H40 | C40 | C41 | H41 | 0.1° | 0.1° |
| H41 | C41 | C42 | H42 | 0.3° | 0.0° |
