PB8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.49Å | Aromatic |
| C2 | C6 | sing | 1.38Å | 1.32Å | Aromatic |
| C3 | C7 | sing | 1.38Å | 1.32Å | Aromatic |
| C4 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C13 | doub | 1.39Å | 1.48Å | Aromatic |
| C7 | C14 | doub | 1.39Å | 1.49Å | Aromatic |
| C8 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.33Å | Aromatic |
| C13 | C22 | sing | 1.51Å | 1.51Å | |
| C14 | C23 | sing | 1.51Å | 1.51Å | |
| C15 | C31 | sing | 1.51Å | 1.51Å | |
| C16 | C32 | sing | 1.51Å | 1.51Å | |
| C17 | F47 | sing | 1.35Å | 1.34Å | |
| C18 | F48 | sing | 1.35Å | 1.33Å | |
| C19 | C27 | sing | 1.51Å | 1.49Å | |
| C19 | N40 | sing | 1.34Å | 1.33Å | |
| C19 | O43 | doub | 1.21Å | 1.22Å | |
| C20 | C28 | sing | 1.51Å | 1.51Å | |
| C20 | N41 | sing | 1.35Å | 1.36Å | |
| C20 | O44 | doub | 1.21Å | 1.22Å | |
| C21 | C35 | sing | 1.51Å | 1.50Å | |
| C21 | N42 | sing | 1.35Å | 1.34Å | |
| C21 | O45 | doub | 1.21Å | 1.22Å | |
| C22 | C26 | sing | 1.53Å | 1.53Å | |
| C23 | N39 | sing | 1.47Å | 1.49Å | |
| C24 | C25 | sing | 1.54Å | 1.53Å | |
| C24 | C27 | sing | 1.55Å | 1.53Å | |
| C25 | N40 | sing | 1.47Å | 1.46Å | |
| C26 | C36 | sing | 1.53Å | 1.53Å | |
| C26 | N39 | sing | 1.47Å | 1.50Å | |
| C27 | C33 | sing | 1.53Å | 1.54Å | |
| C27 | N41 | sing | 1.46Å | 1.47Å | |
| C29 | C37 | sing | 1.53Å | 1.53Å | |
| C30 | C37 | sing | 1.53Å | 1.52Å | |
| C31 | C34 | sing | 1.53Å | 1.53Å | |
| C32 | C38 | sing | 1.53Å | 1.53Å | |
| C33 | C37 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C35 | N40 | sing | 1.46Å | 1.46Å | |
| C36 | C38 | sing | 1.53Å | 1.53Å | |
| C36 | O46 | sing | 1.43Å | 1.43Å | |
| C38 | N42 | sing | 1.46Å | 1.46Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| N39 | HN39 | sing | 1.01Å | 1.00Å | |
| N41 | HN41 | sing | 0.97Å | 1.00Å | |
| N42 | HN42 | sing | 0.97Å | 1.00Å | |
| O46 | HO46 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C1 | C5 | 120.9° | 120.0° |
| C1 | C4 | C8 | 119.4° | 120.0° |
| C4 | C1 | H1 | 119.5° | 120.0° |
| C1 | C4 | H4 | 120.3° | 120.0° |
| C1 | C5 | C9 | 119.6° | 120.0° |
| C5 | C1 | H1 | 119.6° | 120.0° |
| C1 | C5 | H5 | 120.2° | 120.0° |
| C3 | C2 | C6 | 120.1° | 119.8° |
| C2 | C3 | C7 | 119.6° | 119.9° |
| C3 | C2 | H2 | 120.0° | 120.1° |
| C2 | C3 | H3 | 120.2° | 120.0° |
| C2 | C6 | C13 | 120.8° | 120.4° |
| C6 | C2 | H2 | 119.9° | 120.2° |
| C2 | C6 | H6 | 119.6° | 119.8° |
| C3 | C7 | C14 | 120.1° | 120.4° |
| C7 | C3 | H3 | 120.2° | 120.1° |
| C3 | C7 | H7 | 119.9° | 119.8° |
| C4 | C8 | C15 | 119.9° | 120.0° |
| C8 | C4 | H4 | 120.3° | 120.0° |
| C4 | C8 | H8 | 120.0° | 120.0° |
| C5 | C9 | C15 | 119.7° | 120.0° |
| C9 | C5 | H5 | 120.2° | 120.0° |
| C5 | C9 | H9 | 120.1° | 120.0° |
| C6 | C13 | C14 | 119.0° | 119.9° |
| C6 | C13 | C22 | 117.3° | 118.5° |
| C13 | C6 | H6 | 119.6° | 119.8° |
| C7 | C14 | C13 | 120.5° | 119.7° |
| C7 | C14 | C23 | 116.9° | 118.4° |
| C14 | C7 | H7 | 119.9° | 119.8° |
| C8 | C15 | C9 | 120.5° | 120.0° |
| C8 | C15 | C31 | 120.1° | 120.0° |
| C15 | C8 | H8 | 120.0° | 120.0° |
| C9 | C15 | C31 | 119.4° | 120.0° |
| C15 | C9 | H9 | 120.2° | 120.0° |
| C16 | C10 | C17 | 121.4° | 120.0° |
| C10 | C16 | C11 | 119.9° | 120.0° |
| C10 | C16 | C32 | 117.9° | 120.0° |
| C16 | C10 | H10 | 119.3° | 119.9° |
| C10 | C17 | C12 | 118.5° | 120.0° |
| C10 | C17 | F47 | 118.4° | 120.0° |
| C17 | C10 | H10 | 119.3° | 120.1° |
| C16 | C11 | C18 | 119.1° | 120.0° |
| C11 | C16 | C32 | 122.2° | 120.0° |
| C16 | C11 | H11 | 120.5° | 120.0° |
| C11 | C18 | C12 | 121.1° | 120.0° |
| C11 | C18 | F48 | 117.8° | 120.0° |
| C18 | C11 | H11 | 120.5° | 120.0° |
| C17 | C12 | C18 | 120.0° | 119.9° |
| C12 | C17 | F47 | 123.0° | 120.0° |
| C17 | C12 | H12 | 120.0° | 120.0° |
| C12 | C18 | F48 | 121.0° | 120.0° |
| C18 | C12 | H12 | 120.0° | 120.0° |
| C14 | C13 | C22 | 123.7° | 121.6° |
| C13 | C14 | C23 | 122.6° | 121.9° |
| C13 | C22 | C26 | 110.5° | 110.0° |
| C13 | C22 | H22 | 109.1° | 109.4° |
| C13 | C22 | H22A | 109.1° | 109.4° |
| C14 | C23 | N39 | 109.7° | 110.5° |
| C14 | C23 | H23 | 109.4° | 109.3° |
| C14 | C23 | H23A | 109.4° | 109.3° |
| C15 | C31 | C34 | 102.5° | 109.4° |
| C15 | C31 | H31 | 111.8° | 109.5° |
| C15 | C31 | H31A | 111.9° | 109.5° |
| C16 | C32 | C38 | 112.4° | 109.5° |
| C16 | C32 | H32 | 108.5° | 109.5° |
| C16 | C32 | H32A | 108.5° | 109.5° |
| C27 | C19 | N40 | 111.6° | 110.1° |
| C27 | C19 | O43 | 121.5° | 125.0° |
| C19 | C27 | C24 | 104.1° | 104.2° |
| C19 | C27 | C33 | 109.7° | 110.5° |
| C19 | C27 | N41 | 105.0° | 110.4° |
| N40 | C19 | O43 | 126.9° | 124.9° |
| C19 | N40 | C25 | 109.9° | 111.3° |
| C19 | N40 | C35 | 124.0° | 124.4° |
| C28 | C20 | N41 | 122.8° | 120.0° |
| C28 | C20 | O44 | 114.8° | 120.0° |
| C20 | C28 | H28 | 109.5° | 109.5° |
| C20 | C28 | H28A | 109.5° | 109.5° |
| C20 | C28 | H28B | 109.5° | 109.5° |
| N41 | C20 | O44 | 122.4° | 120.0° |
| C20 | N41 | C27 | 130.6° | 120.0° |
| C20 | N41 | HN41 | 114.7° | 120.0° |
| C35 | C21 | N42 | 115.7° | 120.0° |
| C35 | C21 | O45 | 123.5° | 120.0° |
| C21 | C35 | C34 | 112.4° | 109.4° |
| C21 | C35 | N40 | 112.1° | 109.5° |
| C21 | C35 | H35 | 106.3° | 109.5° |
| N42 | C21 | O45 | 120.8° | 120.0° |
| C21 | N42 | C38 | 125.2° | 120.0° |
| C21 | N42 | HN42 | 117.4° | 120.0° |
| C22 | C26 | C36 | 111.2° | 109.6° |
| C22 | C26 | N39 | 109.2° | 108.5° |
| C26 | C22 | H22 | 109.1° | 109.4° |
| C26 | C22 | H22A | 109.1° | 109.4° |
| C22 | C26 | H26 | 107.3° | 109.6° |
| C23 | N39 | C26 | 110.6° | 110.3° |
| N39 | C23 | H23 | 109.4° | 109.3° |
| N39 | C23 | H23A | 109.4° | 109.3° |
| C23 | N39 | HN39 | 109.1° | 111.0° |
| C25 | C24 | C27 | 101.6° | 101.8° |
| C24 | C25 | N40 | 106.3° | 105.5° |
| C25 | C24 | H24 | 112.2° | 110.9° |
| C25 | C24 | H24A | 112.2° | 111.0° |
| C24 | C25 | H25 | 110.6° | 110.2° |
| C24 | C25 | H25A | 110.5° | 110.2° |
| C24 | C27 | C33 | 107.7° | 110.5° |
| C24 | C27 | N41 | 114.9° | 110.5° |
| C27 | C24 | H24 | 112.2° | 110.9° |
| C27 | C24 | H24A | 112.2° | 111.0° |
| C25 | N40 | C35 | 126.0° | 124.4° |
| N40 | C25 | H25 | 110.5° | 110.2° |
| N40 | C25 | H25A | 110.6° | 110.3° |
| C36 | C26 | N39 | 105.7° | 109.6° |
| C26 | C36 | C38 | 114.3° | 109.4° |
| C26 | C36 | O46 | 108.6° | 109.4° |
| C36 | C26 | H26 | 110.7° | 109.7° |
| C26 | C36 | H36 | 107.1° | 109.5° |
| N39 | C26 | H26 | 112.7° | 109.8° |
| C26 | N39 | HN39 | 109.1° | 111.0° |
| C33 | C27 | N41 | 114.9° | 110.6° |
| C27 | C33 | C37 | 116.5° | 109.4° |
| C27 | C33 | H33 | 107.2° | 109.5° |
| C27 | C33 | H33A | 107.2° | 109.5° |
| C27 | N41 | HN41 | 114.7° | 120.0° |
| C29 | C37 | C30 | 105.2° | 109.5° |
| C29 | C37 | C33 | 106.3° | 109.5° |
| C37 | C29 | H29 | 109.5° | 109.5° |
| C37 | C29 | H29A | 109.4° | 109.5° |
| C37 | C29 | H29B | 109.5° | 109.5° |
| C29 | C37 | H37 | 114.0° | 109.4° |
| C30 | C37 | C33 | 108.9° | 109.5° |
| C37 | C30 | H30 | 109.5° | 109.5° |
| C37 | C30 | H30A | 109.5° | 109.4° |
| C37 | C30 | H30B | 109.5° | 109.5° |
| C30 | C37 | H37 | 111.6° | 109.5° |
| C31 | C34 | C35 | 114.8° | 109.4° |
| C34 | C31 | H31 | 111.9° | 109.5° |
| C34 | C31 | H31A | 111.8° | 109.5° |
| C31 | C34 | H34 | 107.7° | 109.5° |
| C31 | C34 | H34A | 107.7° | 109.5° |
| C32 | C38 | C36 | 106.2° | 109.5° |
| C32 | C38 | N42 | 109.0° | 109.5° |
| C38 | C32 | H32 | 108.5° | 109.5° |
| C38 | C32 | H32A | 108.5° | 109.4° |
| C32 | C38 | H38 | 112.0° | 109.5° |
| C37 | C33 | H33 | 107.2° | 109.5° |
| C37 | C33 | H33A | 107.2° | 109.5° |
| C33 | C37 | H37 | 110.5° | 109.5° |
| C34 | C35 | N40 | 111.6° | 109.5° |
| C35 | C34 | H34 | 107.7° | 109.5° |
| C35 | C34 | H34A | 107.8° | 109.4° |
| C34 | C35 | H35 | 106.9° | 109.5° |
| N40 | C35 | H35 | 107.2° | 109.5° |
| C38 | C36 | O46 | 110.5° | 109.4° |
| C36 | C38 | N42 | 109.9° | 109.4° |
| C38 | C36 | H36 | 105.1° | 109.5° |
| C36 | C38 | H38 | 111.2° | 109.5° |
| O46 | C36 | H36 | 111.2° | 109.5° |
| C36 | O46 | HO46 | 109.5° | 114.1° |
| N42 | C38 | H38 | 108.5° | 109.5° |
| C38 | N42 | HN42 | 117.4° | 120.0° |
| H22 | C22 | H22A | 109.8° | 109.3° |
| H23 | C23 | H23A | 109.6° | 109.1° |
| H24 | C24 | H24A | 106.6° | 110.9° |
| H25 | C25 | H25A | 108.4° | 110.3° |
| H28 | C28 | H28A | 109.5° | 109.4° |
| H28 | C28 | H28B | 109.5° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.5° |
| H29 | C29 | H29A | 109.5° | 109.5° |
| H29 | C29 | H29B | 109.4° | 109.4° |
| H29A | C29 | H29B | 109.5° | 109.5° |
| H30 | C30 | H30A | 109.4° | 109.5° |
| H30 | C30 | H30B | 109.5° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.4° |
| H31 | C31 | H31A | 107.0° | 109.4° |
| H32 | C32 | H32A | 110.4° | 109.5° |
| H33 | C33 | H33A | 111.7° | 109.5° |
| H34 | C34 | H34A | 111.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C1 | C5 | H1 | 180.0° | 179.8° |
| C1 | C4 | C8 | H4 | 180.0° | 180.0° |
| C4 | C1 | C5 | C9 | 1.0° | 0.0° |
| C1 | C4 | C8 | C15 | 0.2° | 0.0° |
| C4 | C1 | C5 | H5 | 179.0° | 180.0° |
| C1 | C4 | C8 | H8 | 179.8° | 180.0° |
| C5 | C1 | C4 | C8 | 0.7° | 0.0° |
| C1 | C5 | C9 | H5 | 180.0° | 180.0° |
| C1 | C5 | C9 | C15 | 0.5° | 0.1° |
| C5 | C1 | C4 | H4 | 179.3° | 180.0° |
| C1 | C5 | C9 | H9 | 179.5° | 180.0° |
| C3 | C2 | C6 | H2 | 180.0° | 179.7° |
| C2 | C3 | C7 | H3 | 180.0° | 180.0° |
| C3 | C2 | C6 | C13 | 0.4° | 0.0° |
| C2 | C3 | C7 | C14 | 0.2° | 0.0° |
| C3 | C2 | C6 | H6 | 179.6° | 180.0° |
| C2 | C3 | C7 | H7 | 179.8° | 180.0° |
| C6 | C2 | C3 | C7 | 0.2° | 0.1° |
| C2 | C6 | C13 | H6 | 180.0° | 180.0° |
| C2 | C6 | C13 | C14 | 0.5° | 0.2° |
| C2 | C6 | C13 | C22 | 179.7° | 179.6° |
| C6 | C2 | C3 | H3 | 179.7° | 179.9° |
| C3 | C7 | C14 | H7 | 180.0° | 179.9° |
| C3 | C7 | C14 | C13 | 0.3° | 0.2° |
| C3 | C7 | C14 | C23 | 180.0° | 179.5° |
| C7 | C3 | C2 | H2 | 179.8° | 179.8° |
| C4 | C8 | C15 | H8 | 180.0° | 180.0° |
| C4 | C8 | C15 | C9 | 0.7° | 0.1° |
| C4 | C8 | C15 | C31 | 179.3° | 179.9° |
| C8 | C4 | C1 | H1 | 179.3° | 179.8° |
| C5 | C9 | C15 | C8 | 0.3° | 0.1° |
| C5 | C9 | C15 | H9 | 180.0° | 179.9° |
| C5 | C9 | C15 | C31 | 178.9° | 180.0° |
| C9 | C5 | C1 | H1 | 179.0° | 179.8° |
| C6 | C13 | C14 | C7 | 0.4° | 0.3° |
| C6 | C13 | C14 | C22 | 179.8° | 179.7° |
| C6 | C13 | C14 | C23 | 179.9° | 179.5° |
| C6 | C13 | C22 | C26 | 166.6° | 163.2° |
| C13 | C6 | C2 | H2 | 179.6° | 179.7° |
| C6 | C13 | C22 | H22 | 73.4° | 76.7° |
| C6 | C13 | C22 | H22A | 46.7° | 43.0° |
| C7 | C14 | C13 | C23 | 179.7° | 179.7° |
| C7 | C14 | C13 | C22 | 179.8° | 179.5° |
| C7 | C14 | C23 | N39 | 161.2° | 162.5° |
| C14 | C7 | C3 | H3 | 179.8° | 180.0° |
| C7 | C14 | C23 | H23 | 78.8° | 77.2° |
| C7 | C14 | C23 | H23A | 41.2° | 42.2° |
| C8 | C15 | C9 | C31 | 178.6° | 179.9° |
| C8 | C15 | C31 | C34 | 64.1° | 90.0° |
| C15 | C8 | C4 | H4 | 179.8° | 180.0° |
| C8 | C15 | C9 | H9 | 179.7° | 180.0° |
| C8 | C15 | C31 | H31 | 175.9° | 150.0° |
| C8 | C15 | C31 | H31A | 55.9° | 30.0° |
| C9 | C15 | C31 | C34 | 114.5° | 90.1° |
| C15 | C9 | C5 | H5 | 179.5° | 179.9° |
| C9 | C15 | C8 | H8 | 179.3° | 179.9° |
| C9 | C15 | C31 | H31 | 5.5° | 29.9° |
| C9 | C15 | C31 | H31A | 125.5° | 149.9° |
| C16 | C10 | C17 | H10 | 180.0° | 179.7° |
| C10 | C16 | C11 | C32 | 179.0° | 180.0° |
| C10 | C16 | C11 | C18 | 0.3° | 0.0° |
| C16 | C10 | C17 | C12 | 0.0° | 0.0° |
| C16 | C10 | C17 | F47 | 179.8° | 180.0° |
| C10 | C16 | C32 | C38 | 134.3° | 90.0° |
| C10 | C16 | C11 | H11 | 179.7° | 180.0° |
| C10 | C16 | C32 | H32 | 105.7° | 150.0° |
| C10 | C16 | C32 | H32A | 14.3° | 30.0° |
| C17 | C10 | C16 | C11 | 0.3° | 0.0° |
| C10 | C17 | C12 | F47 | 179.8° | 180.0° |
| C10 | C17 | C12 | C18 | 0.3° | 0.0° |
| C17 | C10 | C16 | C32 | 179.4° | 180.0° |
| C10 | C17 | C12 | H12 | 179.7° | 180.0° |
| C16 | C11 | C18 | H11 | 180.0° | 180.0° |
| C16 | C11 | C18 | C12 | 0.0° | 0.0° |
| C16 | C11 | C18 | F48 | 179.7° | 180.0° |
| C11 | C16 | C32 | C38 | 46.6° | 90.0° |
| C11 | C16 | C10 | H10 | 179.6° | 179.7° |
| C11 | C16 | C32 | H32 | 73.4° | 30.0° |
| C11 | C16 | C32 | H32A | 166.6° | 150.0° |
| C11 | C18 | C12 | C17 | 0.3° | 0.0° |
| C11 | C18 | C12 | F48 | 179.7° | 180.0° |
| C18 | C11 | C16 | C32 | 179.4° | 180.0° |
| C11 | C18 | C12 | H12 | 179.7° | 180.0° |
| C17 | C12 | C18 | H12 | 180.0° | 180.0° |
| C17 | C12 | C18 | F48 | 180.0° | 180.0° |
| C12 | C17 | C10 | H10 | 180.0° | 179.7° |
| C18 | C12 | C17 | F47 | 179.9° | 180.0° |
| C12 | C18 | C11 | H11 | 180.0° | 180.0° |
| C14 | C13 | C22 | C26 | 13.6° | 17.1° |
| C13 | C14 | C23 | N39 | 19.1° | 17.8° |
| C14 | C13 | C6 | H6 | 179.5° | 179.8° |
| C13 | C14 | C7 | H7 | 179.7° | 179.9° |
| C14 | C13 | C22 | H22 | 106.4° | 103.1° |
| C14 | C13 | C22 | H22A | 133.6° | 137.2° |
| C13 | C14 | C23 | H23 | 100.9° | 102.5° |
| C13 | C14 | C23 | H23A | 139.1° | 138.1° |
| C22 | C13 | C14 | C23 | 0.1° | 0.8° |
| C13 | C22 | C26 | H22 | 120.0° | 120.1° |
| C13 | C22 | C26 | H22A | 120.0° | 120.1° |
| C13 | C22 | C26 | C36 | 161.7° | 170.1° |
| C13 | C22 | C26 | N39 | 45.4° | 50.4° |
| C22 | C13 | C6 | H6 | 0.3° | 0.4° |
| C13 | C22 | H22 | H22A | 119.6° | 119.7° |
| C13 | C22 | C26 | H26 | 77.0° | 69.5° |
| C14 | C23 | N39 | H23 | 120.0° | 120.3° |
| C14 | C23 | N39 | H23A | 120.0° | 120.3° |
| C14 | C23 | N39 | C26 | 52.2° | 52.6° |
| C23 | C14 | C7 | H7 | 0.0° | 0.4° |
| C14 | C23 | H23 | H23A | 119.9° | 119.5° |
| C14 | C23 | N39 | HN39 | 172.2° | 176.1° |
| C15 | C31 | C34 | H31 | 120.0° | 120.0° |
| C15 | C31 | C34 | H31A | 120.0° | 120.0° |
| C15 | C31 | C34 | C35 | 176.3° | 180.0° |
| C31 | C15 | C8 | H8 | 0.7° | 0.0° |
| C31 | C15 | C9 | H9 | 1.1° | 0.1° |
| C15 | C31 | H31 | H31A | 122.8° | 120.0° |
| C15 | C31 | C34 | H34 | 63.7° | 60.0° |
| C15 | C31 | C34 | H34A | 56.3° | 60.0° |
| C16 | C32 | C38 | H32 | 120.0° | 120.0° |
| C16 | C32 | C38 | H32A | 120.0° | 120.0° |
| C16 | C32 | C38 | C36 | 179.2° | 175.0° |
| C16 | C32 | C38 | N42 | 62.4° | 65.0° |
| C32 | C16 | C10 | H10 | 0.6° | 0.3° |
| C32 | C16 | C11 | H11 | 0.6° | 0.0° |
| C16 | C32 | H32 | H32A | 118.8° | 120.0° |
| C16 | C32 | C38 | H38 | 57.6° | 55.0° |
| F47 | C17 | C10 | H10 | 0.2° | 0.3° |
| F47 | C17 | C12 | H12 | 0.1° | 0.0° |
| F48 | C18 | C11 | H11 | 0.3° | 0.1° |
| F48 | C18 | C12 | H12 | 0.0° | 0.0° |
| C27 | C19 | N40 | O43 | 179.6° | 179.7° |
| C19 | C27 | N41 | C20 | 68.9° | 65.2° |
| C19 | C27 | C24 | C25 | 23.5° | 24.8° |
| C19 | C27 | C24 | C33 | 116.4° | 118.6° |
| C19 | C27 | C24 | N41 | 114.2° | 118.6° |
| C27 | C19 | N40 | C25 | 0.4° | 0.4° |
| C19 | C27 | C33 | N41 | 117.9° | 122.6° |
| C19 | C27 | C33 | C37 | 133.6° | 174.1° |
| C27 | C19 | N40 | C35 | 177.4° | 179.6° |
| C19 | C27 | C24 | H24 | 143.6° | 93.3° |
| C19 | C27 | C24 | H24A | 96.5° | 142.9° |
| C19 | C27 | C33 | H33 | 13.6° | 54.1° |
| C19 | C27 | C33 | H33A | 106.4° | 65.9° |
| C19 | C27 | N41 | HN41 | 111.1° | 114.9° |
| C19 | N40 | C35 | C21 | 134.4° | 60.0° |
| C19 | N40 | C25 | C24 | 16.3° | 17.0° |
| N40 | C19 | C27 | C24 | 15.5° | 16.2° |
| C19 | N40 | C25 | C35 | 176.9° | 180.0° |
| N40 | C19 | C27 | C33 | 99.4° | 134.9° |
| N40 | C19 | C27 | N41 | 136.6° | 102.4° |
| C19 | N40 | C35 | C34 | 98.6° | 60.0° |
| C19 | N40 | C25 | H25 | 136.3° | 102.0° |
| C19 | N40 | C25 | H25A | 103.7° | 136.0° |
| C19 | N40 | C35 | H35 | 18.1° | 180.0° |
| O43 | C19 | C27 | C24 | 164.1° | 163.5° |
| O43 | C19 | N40 | C25 | 180.0° | 179.9° |
| O43 | C19 | C27 | C33 | 81.0° | 44.8° |
| O43 | C19 | C27 | N41 | 43.0° | 77.8° |
| O43 | C19 | N40 | C35 | 3.0° | 0.2° |
| C28 | C20 | N41 | O44 | 179.1° | 179.9° |
| C28 | C20 | N41 | C27 | 3.5° | 174.9° |
| C20 | C28 | H28 | H28A | 120.0° | 120.0° |
| C20 | C28 | H28 | H28B | 120.0° | 120.1° |
| C20 | C28 | H28A | H28B | 120.0° | 120.1° |
| C28 | C20 | N41 | HN41 | 176.5° | 5.0° |
| C20 | N41 | C27 | C24 | 44.8° | 179.9° |
| C20 | N41 | C27 | C33 | 170.5° | 57.4° |
| C20 | N41 | C27 | HN41 | 180.0° | 179.9° |
| N41 | C20 | C28 | H28 | 179.1° | 0.0° |
| N41 | C20 | C28 | H28A | 59.1° | 119.9° |
| N41 | C20 | C28 | H28B | 60.9° | 120.0° |
| O44 | C20 | N41 | C27 | 177.5° | 5.1° |
| O44 | C20 | C28 | H28 | 0.0° | 179.9° |
| O44 | C20 | C28 | H28A | 120.0° | 60.0° |
| O44 | C20 | C28 | H28B | 120.0° | 60.0° |
| O44 | C20 | N41 | HN41 | 2.6° | 175.0° |
| C35 | C21 | N42 | O45 | 179.5° | 180.0° |
| C21 | C35 | N40 | C25 | 42.2° | 120.0° |
| C21 | C35 | C34 | C31 | 162.3° | 175.0° |
| C21 | C35 | C34 | N40 | 126.9° | 120.0° |
| C21 | C35 | C34 | H35 | 116.2° | 120.0° |
| C21 | C35 | N40 | H35 | 116.3° | 120.0° |
| C35 | C21 | N42 | C38 | 179.9° | 180.0° |
| C21 | C35 | C34 | H34 | 77.7° | 55.0° |
| C21 | C35 | C34 | H34A | 42.3° | 65.0° |
| C35 | C21 | N42 | HN42 | 0.1° | 0.0° |
| C21 | N42 | C38 | C32 | 134.8° | 85.0° |
| N42 | C21 | C35 | C34 | 170.4° | 60.0° |
| N42 | C21 | C35 | N40 | 63.0° | 180.0° |
| C21 | N42 | C38 | C36 | 109.1° | 155.0° |
| C21 | N42 | C38 | HN42 | 180.0° | 180.0° |
| N42 | C21 | C35 | H35 | 53.8° | 60.0° |
| C21 | N42 | C38 | H38 | 12.6° | 35.0° |
| O45 | C21 | C35 | C34 | 9.1° | 120.0° |
| O45 | C21 | C35 | N40 | 117.5° | 0.0° |
| O45 | C21 | N42 | C38 | 0.5° | 0.0° |
| O45 | C21 | C35 | H35 | 125.7° | 120.0° |
| O45 | C21 | N42 | HN42 | 179.6° | 180.0° |
| C22 | C26 | N39 | C23 | 67.5° | 71.2° |
| C22 | C26 | C36 | N39 | 118.4° | 119.0° |
| C22 | C26 | C36 | H26 | 119.2° | 120.4° |
| C22 | C26 | N39 | H26 | 119.1° | 119.8° |
| C22 | C26 | C36 | C38 | 56.1° | 180.0° |
| C22 | C26 | C36 | O46 | 67.8° | 60.1° |
| C26 | C22 | H22 | H22A | 119.5° | 119.8° |
| C22 | C26 | C36 | H36 | 172.1° | 60.0° |
| C22 | C26 | N39 | HN39 | 172.4° | 165.3° |
| C23 | N39 | C26 | C36 | 172.7° | 169.1° |
| C23 | N39 | C26 | HN39 | 120.0° | 123.4° |
| N39 | C23 | H23 | H23A | 119.9° | 119.5° |
| C23 | N39 | C26 | H26 | 51.6° | 48.6° |
| C25 | C24 | C27 | H24 | 120.0° | 118.1° |
| C25 | C24 | C27 | H24A | 120.0° | 118.2° |
| C24 | C25 | N40 | H25 | 120.0° | 119.0° |
| C24 | C25 | N40 | H25A | 120.0° | 119.0° |
| C25 | C24 | C27 | C33 | 92.9° | 143.4° |
| C25 | C24 | C27 | N41 | 137.7° | 93.9° |
| C24 | C25 | N40 | C35 | 166.7° | 163.0° |
| C25 | C24 | H24 | H24A | 123.2° | 123.8° |
| C24 | C25 | H25 | H25A | 121.3° | 122.0° |
| C27 | C24 | C25 | N40 | 24.4° | 25.4° |
| C24 | C27 | C33 | N41 | 129.4° | 122.7° |
| C24 | C27 | C33 | C37 | 113.7° | 71.2° |
| C27 | C24 | H24 | H24A | 123.2° | 123.8° |
| C27 | C24 | C25 | H25 | 144.4° | 93.6° |
| C27 | C24 | C25 | H25A | 95.6° | 144.4° |
| C24 | C27 | C33 | H33 | 126.3° | 168.8° |
| C24 | C27 | C33 | H33A | 6.3° | 48.8° |
| C24 | C27 | N41 | HN41 | 135.2° | 0.1° |
| C25 | N40 | C35 | C34 | 84.9° | 120.0° |
| N40 | C25 | C24 | H24 | 144.4° | 92.7° |
| N40 | C25 | C24 | H24A | 95.6° | 143.5° |
| N40 | C25 | H25 | H25A | 121.3° | 122.0° |
| C25 | N40 | C35 | H35 | 158.4° | 0.0° |
| C36 | C26 | N39 | H26 | 121.1° | 120.5° |
| C26 | C36 | C38 | C32 | 172.6° | 65.0° |
| C26 | C36 | C38 | O46 | 122.9° | 119.9° |
| C26 | C36 | C38 | H36 | 117.1° | 120.0° |
| C26 | C36 | O46 | H36 | 117.6° | 120.0° |
| C26 | C36 | C38 | N42 | 69.6° | 175.0° |
| C36 | C26 | C22 | H22 | 41.7° | 49.9° |
| C36 | C26 | C22 | H22A | 78.3° | 69.8° |
| C26 | C36 | C38 | H38 | 50.5° | 55.1° |
| C36 | C26 | N39 | HN39 | 52.6° | 45.7° |
| C26 | C36 | O46 | HO46 | 180.0° | 59.9° |
| N39 | C26 | C36 | C38 | 174.6° | 61.0° |
| N39 | C26 | C36 | O46 | 50.7° | 179.1° |
| N39 | C26 | C22 | H22 | 74.6° | 69.7° |
| N39 | C26 | C22 | H22A | 165.4° | 170.5° |
| C26 | N39 | C23 | H23 | 67.8° | 67.7° |
| C26 | N39 | C23 | H23A | 172.1° | 172.9° |
| N39 | C26 | C36 | H36 | 69.5° | 59.0° |
| C27 | C33 | C37 | C29 | 153.8° | 172.7° |
| C27 | C33 | C37 | C30 | 93.4° | 67.3° |
| C27 | C33 | C37 | H33 | 120.0° | 120.0° |
| C27 | C33 | C37 | H33A | 120.0° | 120.0° |
| C33 | C27 | C24 | H24 | 27.1° | 25.3° |
| C33 | C27 | C24 | H24A | 147.1° | 98.4° |
| C27 | C33 | H33 | H33A | 117.1° | 120.0° |
| C27 | C33 | C37 | H37 | 29.6° | 52.8° |
| C33 | C27 | N41 | HN41 | 9.5° | 122.5° |
| N41 | C27 | C33 | C37 | 15.7° | 51.5° |
| N41 | C27 | C24 | H24 | 102.3° | 148.1° |
| N41 | C27 | C24 | H24A | 17.7° | 24.3° |
| N41 | C27 | C33 | H33 | 104.3° | 68.5° |
| N41 | C27 | C33 | H33A | 135.7° | 171.5° |
| C29 | C37 | C30 | C33 | 113.6° | 120.0° |
| C29 | C37 | C30 | H37 | 124.1° | 119.9° |
| C29 | C37 | C33 | H37 | 124.2° | 119.9° |
| C37 | C29 | H29 | H29A | 120.0° | 120.1° |
| C37 | C29 | H29 | H29B | 120.0° | 119.9° |
| C37 | C29 | H29A | H29B | 120.0° | 120.0° |
| C29 | C37 | C30 | H30 | 180.0° | 70.5° |
| C29 | C37 | C30 | H30A | 60.0° | 169.5° |
| C29 | C37 | C30 | H30B | 60.0° | 49.5° |
| C29 | C37 | C33 | H33 | 33.8° | 52.7° |
| C29 | C37 | C33 | H33A | 86.2° | 67.3° |
| C30 | C37 | C33 | H37 | 122.9° | 120.1° |
| C30 | C37 | C29 | H29 | 180.0° | 55.0° |
| C30 | C37 | C29 | H29A | 60.0° | 175.1° |
| C30 | C37 | C29 | H29B | 60.0° | 64.9° |
| C37 | C30 | H30 | H30A | 120.0° | 120.0° |
| C37 | C30 | H30 | H30B | 120.0° | 120.1° |
| C37 | C30 | H30A | H30B | 120.0° | 120.0° |
| C30 | C37 | C33 | H33 | 146.6° | 172.7° |
| C30 | C37 | C33 | H33A | 26.6° | 52.7° |
| C31 | C34 | C35 | H34 | 120.0° | 120.0° |
| C31 | C34 | C35 | H34A | 120.0° | 120.0° |
| C31 | C34 | C35 | N40 | 35.4° | 65.0° |
| C34 | C31 | H31 | H31A | 122.8° | 120.0° |
| C31 | C34 | H34 | H34A | 117.8° | 120.1° |
| C31 | C34 | C35 | H35 | 81.5° | 55.0° |
| C32 | C38 | C36 | N42 | 117.8° | 120.0° |
| C32 | C38 | C36 | H38 | 122.1° | 120.0° |
| C32 | C38 | C36 | O46 | 49.7° | 55.0° |
| C32 | C38 | N42 | H38 | 122.2° | 120.0° |
| C38 | C32 | H32 | H32A | 118.8° | 120.0° |
| C32 | C38 | C36 | H36 | 70.3° | 175.0° |
| C32 | C38 | N42 | HN42 | 45.2° | 95.0° |
| C33 | C37 | C29 | H29 | 64.6° | 175.0° |
| C33 | C37 | C29 | H29A | 55.4° | 64.9° |
| C33 | C37 | C29 | H29B | 175.4° | 55.1° |
| C33 | C37 | C30 | H30 | 66.4° | 49.5° |
| C33 | C37 | C30 | H30A | 173.6° | 70.5° |
| C33 | C37 | C30 | H30B | 53.6° | 169.5° |
| C37 | C33 | H33 | H33A | 117.1° | 120.0° |
| C34 | C35 | N40 | H35 | 116.7° | 120.0° |
| C35 | C34 | C31 | H31 | 56.3° | 60.0° |
| C35 | C34 | C31 | H31A | 63.7° | 60.0° |
| C35 | C34 | H34 | H34A | 117.8° | 120.0° |
| C35 | N40 | C25 | H25 | 46.7° | 78.0° |
| C35 | N40 | C25 | H25A | 73.3° | 44.0° |
| N40 | C35 | C34 | H34 | 155.4° | 175.0° |
| N40 | C35 | C34 | H34A | 84.6° | 55.0° |
| C38 | C36 | O46 | H36 | 116.3° | 120.1° |
| C36 | C38 | N42 | H38 | 121.7° | 120.0° |
| C38 | C36 | C26 | H26 | 63.1° | 59.6° |
| C36 | C38 | C32 | H32 | 59.2° | 55.0° |
| C36 | C38 | C32 | H32A | 60.8° | 65.0° |
| C36 | C38 | N42 | HN42 | 70.9° | 25.1° |
| C38 | C36 | O46 | HO46 | 53.9° | 60.0° |
| O46 | C36 | C38 | N42 | 167.5° | 65.1° |
| O46 | C36 | C26 | H26 | 173.0° | 60.3° |
| O46 | C36 | C38 | H38 | 72.4° | 175.0° |
| N42 | C38 | C32 | H32 | 177.6° | 175.0° |
| N42 | C38 | C32 | H32A | 57.6° | 55.0° |
| N42 | C38 | C36 | H36 | 47.5° | 55.0° |
| H1 | C1 | C4 | H4 | 0.6° | 0.2° |
| H1 | C1 | C5 | H5 | 1.0° | 0.2° |
| H2 | C2 | C3 | H3 | 0.2° | 0.2° |
| H2 | C2 | C6 | H6 | 0.4° | 0.2° |
| H3 | C3 | C7 | H7 | 0.2° | 0.0° |
| H4 | C4 | C8 | H8 | 0.2° | 0.1° |
| H5 | C5 | C9 | H9 | 0.5° | 0.0° |
| H22 | C22 | C26 | H26 | 163.0° | 170.3° |
| H22A | C22 | C26 | H26 | 43.0° | 50.6° |
| H23 | C23 | N39 | HN39 | 52.2° | 55.7° |
| H23A | C23 | N39 | HN39 | 67.8° | 63.7° |
| H24 | C24 | C25 | H25 | 95.6° | 148.3° |
| H24 | C24 | C25 | H25A | 24.3° | 26.3° |
| H24A | C24 | C25 | H25 | 24.4° | 24.6° |
| H24A | C24 | C25 | H25A | 144.3° | 97.4° |
| H26 | C26 | C36 | H36 | 52.9° | 179.6° |
| H26 | C26 | N39 | HN39 | 68.4° | 74.8° |
| H28 | C28 | H28A | H28B | 120.0° | 119.9° |
| H29 | C29 | H29A | H29B | 120.0° | 119.9° |
| H29 | C29 | C37 | H37 | 57.4° | 65.0° |
| H29A | C29 | C37 | H37 | 177.4° | 55.1° |
| H29B | C29 | C37 | H37 | 62.6° | 175.1° |
| H30 | C30 | H30A | H30B | 120.0° | 120.0° |
| H30 | C30 | C37 | H37 | 55.9° | 169.6° |
| H30A | C30 | C37 | H37 | 64.1° | 49.6° |
| H30B | C30 | C37 | H37 | 175.9° | 70.4° |
| H31 | C31 | C34 | H34 | 176.4° | 180.0° |
| H31 | C31 | C34 | H34A | 63.7° | 60.0° |
| H31A | C31 | C34 | H34 | 56.4° | 60.0° |
| H31A | C31 | C34 | H34A | 176.3° | 180.0° |
| H32 | C32 | C38 | H38 | 62.3° | 65.0° |
| H32A | C32 | C38 | H38 | 177.6° | 175.0° |
| H33 | C33 | C37 | H37 | 90.4° | 67.2° |
| H33A | C33 | C37 | H37 | 149.6° | 172.8° |
| H34 | C34 | C35 | H35 | 38.6° | 65.0° |
| H34A | C34 | C35 | H35 | 158.5° | 175.0° |
| H36 | C36 | C38 | H38 | 167.6° | 65.0° |
| H36 | C36 | O46 | HO46 | 62.4° | 179.9° |
| H38 | C38 | N42 | HN42 | 167.4° | 145.0° |
