PB7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C3 | doub | 1.38Å | 1.53Å | Aromatic |
| C1 | C4 | sing | 1.38Å | 1.53Å | Aromatic |
| C2 | C5 | doub | 1.38Å | 1.53Å | Aromatic |
| C2 | C6 | sing | 1.38Å | 1.53Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.53Å | Aromatic |
| C4 | C9 | doub | 1.38Å | 1.53Å | Aromatic |
| C5 | C10 | sing | 1.38Å | 1.53Å | Aromatic |
| C6 | C11 | doub | 1.38Å | 1.53Å | Aromatic |
| C7 | C12 | doub | 1.38Å | 1.53Å | Aromatic |
| C7 | C13 | sing | 1.38Å | 1.54Å | Aromatic |
| C8 | C15 | doub | 1.38Å | 1.53Å | Aromatic |
| C9 | C15 | sing | 1.38Å | 1.52Å | Aromatic |
| C10 | C16 | doub | 1.38Å | 1.53Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.53Å | Aromatic |
| C12 | C17 | sing | 1.38Å | 1.53Å | Aromatic |
| C13 | C18 | doub | 1.39Å | 1.54Å | Aromatic |
| C14 | C17 | doub | 1.38Å | 1.53Å | Aromatic |
| C14 | C18 | sing | 1.39Å | 1.53Å | Aromatic |
| C15 | C29 | sing | 1.51Å | 1.52Å | |
| C16 | C30 | sing | 1.51Å | 1.52Å | |
| C17 | C31 | sing | 1.51Å | 1.53Å | |
| C18 | O47 | sing | 1.36Å | 1.44Å | |
| C19 | C24 | sing | 1.51Å | 1.53Å | |
| C19 | N39 | sing | 1.34Å | 1.48Å | |
| C19 | O43 | doub | 1.21Å | 1.42Å | |
| C20 | C25 | sing | 1.51Å | 1.53Å | |
| C20 | N40 | sing | 1.35Å | 1.48Å | |
| C20 | O44 | doub | 1.21Å | 1.43Å | |
| C21 | C35 | sing | 1.51Å | 1.53Å | |
| C21 | N41 | sing | 1.35Å | 1.50Å | |
| C21 | O45 | doub | 1.21Å | 1.43Å | |
| C22 | C23 | sing | 1.54Å | 1.53Å | |
| C22 | C24 | sing | 1.55Å | 1.54Å | |
| C23 | N39 | sing | 1.47Å | 1.49Å | |
| C24 | C36 | sing | 1.53Å | 1.55Å | |
| C24 | N40 | sing | 1.47Å | 1.50Å | |
| C26 | C32 | sing | 1.53Å | 1.52Å | |
| C27 | C36 | sing | 1.53Å | 1.53Å | |
| C28 | O47 | sing | 1.43Å | 1.43Å | |
| C29 | C33 | sing | 1.53Å | 1.52Å | |
| C30 | C37 | sing | 1.53Å | 1.53Å | |
| C31 | N42 | sing | 1.47Å | 1.49Å | |
| C32 | C36 | sing | 1.53Å | 1.53Å | |
| C33 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | C38 | sing | 1.53Å | 1.52Å | |
| C34 | N42 | sing | 1.47Å | 1.48Å | |
| C35 | N39 | sing | 1.46Å | 1.49Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C37 | N41 | sing | 1.46Å | 1.49Å | |
| C38 | O46 | sing | 1.43Å | 1.43Å | |
| 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 | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | 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 | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | 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 | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | 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 | |
| N40 | HN40 | sing | 0.97Å | 1.00Å | |
| N41 | HN41 | sing | 0.97Å | 1.00Å | |
| N42 | HN42 | sing | 1.01Å | 1.00Å | |
| O46 | HO46 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | C4 | 119.9° | 120.0° |
| C1 | C3 | C8 | 119.1° | 120.0° |
| C3 | C1 | H1 | 120.0° | 120.0° |
| C1 | C3 | H3 | 120.4° | 120.0° |
| C1 | C4 | C9 | 121.2° | 120.0° |
| C4 | C1 | H1 | 120.1° | 120.0° |
| C1 | C4 | H4 | 119.4° | 120.0° |
| C5 | C2 | C6 | 120.6° | 120.0° |
| C2 | C5 | C10 | 119.6° | 120.0° |
| C5 | C2 | H2 | 119.7° | 120.0° |
| C2 | C5 | H5 | 120.2° | 120.0° |
| C2 | C6 | C11 | 119.5° | 120.0° |
| C6 | C2 | H2 | 119.7° | 120.0° |
| C2 | C6 | H6 | 120.2° | 120.0° |
| C3 | C8 | C15 | 120.6° | 120.0° |
| C8 | C3 | H3 | 120.5° | 120.0° |
| C3 | C8 | H8 | 119.7° | 120.0° |
| C4 | C9 | C15 | 118.5° | 120.0° |
| C9 | C4 | H4 | 119.4° | 120.0° |
| C4 | C9 | H9 | 120.7° | 120.0° |
| C5 | C10 | C16 | 120.2° | 120.0° |
| C10 | C5 | H5 | 120.2° | 120.0° |
| C5 | C10 | H10 | 119.9° | 120.0° |
| C6 | C11 | C16 | 120.3° | 120.0° |
| C11 | C6 | H6 | 120.2° | 120.0° |
| C6 | C11 | H11 | 119.8° | 120.0° |
| C12 | C7 | C13 | 120.5° | 120.1° |
| C7 | C12 | C17 | 119.2° | 120.1° |
| C12 | C7 | H7 | 119.7° | 119.9° |
| C7 | C12 | H12 | 120.4° | 120.0° |
| C7 | C13 | C18 | 120.4° | 119.9° |
| C13 | C7 | H7 | 119.8° | 120.0° |
| C7 | C13 | H13 | 119.8° | 120.1° |
| C8 | C15 | C9 | 120.6° | 120.0° |
| C8 | C15 | C29 | 119.5° | 120.0° |
| C15 | C8 | H8 | 119.7° | 120.0° |
| C9 | C15 | C29 | 119.9° | 120.0° |
| C15 | C9 | H9 | 120.7° | 120.0° |
| C10 | C16 | C11 | 119.8° | 120.0° |
| C10 | C16 | C30 | 120.5° | 120.0° |
| C16 | C10 | H10 | 119.9° | 120.0° |
| C11 | C16 | C30 | 119.7° | 120.0° |
| C16 | C11 | H11 | 119.9° | 120.0° |
| C12 | C17 | C14 | 120.1° | 120.1° |
| C12 | C17 | C31 | 120.8° | 120.0° |
| C17 | C12 | H12 | 120.4° | 120.0° |
| C13 | C18 | C14 | 118.5° | 119.9° |
| C13 | C18 | O47 | 123.1° | 120.1° |
| C18 | C13 | H13 | 119.8° | 120.0° |
| C17 | C14 | C18 | 121.3° | 119.9° |
| C14 | C17 | C31 | 119.1° | 120.0° |
| C17 | C14 | H14 | 119.3° | 120.0° |
| C14 | C18 | O47 | 118.4° | 120.0° |
| C18 | C14 | H14 | 119.3° | 120.0° |
| C15 | C29 | C33 | 107.9° | 109.5° |
| C15 | C29 | H29 | 110.0° | 109.5° |
| C15 | C29 | H29A | 110.0° | 109.5° |
| C16 | C30 | C37 | 115.9° | 109.4° |
| C16 | C30 | H30 | 107.4° | 109.5° |
| C16 | C30 | H30A | 107.4° | 109.5° |
| C17 | C31 | N42 | 111.0° | 109.4° |
| C17 | C31 | H31 | 109.0° | 109.5° |
| C17 | C31 | H31A | 109.0° | 109.5° |
| C18 | O47 | C28 | 119.2° | 116.9° |
| C24 | C19 | N39 | 106.2° | 110.1° |
| C24 | C19 | O43 | 126.1° | 124.9° |
| C19 | C24 | C22 | 101.5° | 104.2° |
| C19 | C24 | C36 | 112.2° | 110.5° |
| C19 | C24 | N40 | 105.1° | 110.5° |
| N39 | C19 | O43 | 127.6° | 125.0° |
| C19 | N39 | C23 | 111.1° | 111.3° |
| C19 | N39 | C35 | 123.9° | 124.3° |
| C25 | C20 | N40 | 112.4° | 120.0° |
| C25 | C20 | O44 | 120.6° | 120.0° |
| C20 | C25 | H25 | 109.5° | 109.5° |
| C20 | C25 | H25A | 109.5° | 109.5° |
| C20 | C25 | H25B | 109.4° | 109.4° |
| N40 | C20 | O44 | 127.0° | 120.0° |
| C20 | N40 | C24 | 125.4° | 120.0° |
| C20 | N40 | HN40 | 117.3° | 120.0° |
| C35 | C21 | N41 | 114.5° | 120.0° |
| C35 | C21 | O45 | 120.4° | 120.0° |
| C21 | C35 | C33 | 111.2° | 109.5° |
| C21 | C35 | N39 | 113.7° | 109.5° |
| C21 | C35 | H35 | 105.9° | 109.5° |
| N41 | C21 | O45 | 125.1° | 120.0° |
| C21 | N41 | C37 | 122.6° | 119.9° |
| C21 | N41 | HN41 | 118.7° | 120.0° |
| C23 | C22 | C24 | 105.4° | 101.8° |
| C22 | C23 | N39 | 101.1° | 105.5° |
| C23 | C22 | H22 | 110.9° | 111.0° |
| C23 | C22 | H22A | 110.9° | 111.0° |
| C22 | C23 | H23 | 112.4° | 110.2° |
| C22 | C23 | H23A | 112.4° | 110.3° |
| C22 | C24 | C36 | 113.3° | 110.5° |
| C22 | C24 | N40 | 113.9° | 110.5° |
| C24 | C22 | H22 | 110.8° | 110.9° |
| C24 | C22 | H22A | 110.9° | 111.0° |
| C23 | N39 | C35 | 125.0° | 124.4° |
| N39 | C23 | H23 | 112.4° | 110.2° |
| N39 | C23 | H23A | 112.4° | 110.2° |
| C36 | C24 | N40 | 110.2° | 110.5° |
| C24 | C36 | C27 | 112.4° | 109.5° |
| C24 | C36 | C32 | 115.1° | 109.5° |
| C24 | C36 | H36 | 102.6° | 109.5° |
| C24 | N40 | HN40 | 117.3° | 120.0° |
| C26 | C32 | C36 | 112.3° | 109.5° |
| C32 | C26 | H26 | 109.5° | 109.5° |
| C32 | C26 | H26A | 109.4° | 109.5° |
| C32 | C26 | H26B | 109.4° | 109.5° |
| C26 | C32 | H32 | 108.5° | 109.5° |
| C26 | C32 | H32A | 108.5° | 109.4° |
| C27 | C36 | C32 | 107.4° | 109.5° |
| C36 | C27 | H27 | 109.5° | 109.5° |
| C36 | C27 | H27A | 109.5° | 109.5° |
| C36 | C27 | H27B | 109.5° | 109.5° |
| C27 | C36 | H36 | 111.1° | 109.5° |
| O47 | C28 | H28 | 109.5° | 109.5° |
| O47 | C28 | H28A | 109.5° | 109.5° |
| O47 | C28 | H28B | 109.5° | 109.5° |
| C29 | C33 | C35 | 113.0° | 109.5° |
| C33 | C29 | H29 | 110.0° | 109.4° |
| C33 | C29 | H29A | 110.0° | 109.5° |
| C29 | C33 | H33 | 108.3° | 109.5° |
| C29 | C33 | H33A | 108.3° | 109.5° |
| C30 | C37 | C38 | 111.8° | 109.4° |
| C30 | C37 | N41 | 110.8° | 109.5° |
| C37 | C30 | H30 | 107.4° | 109.4° |
| C37 | C30 | H30A | 107.4° | 109.5° |
| C30 | C37 | H37 | 107.7° | 109.5° |
| C31 | N42 | C34 | 107.5° | 111.0° |
| N42 | C31 | H31 | 109.0° | 109.4° |
| N42 | C31 | H31A | 109.0° | 109.4° |
| C31 | N42 | HN42 | 110.1° | 111.0° |
| C36 | C32 | H32 | 108.5° | 109.5° |
| C36 | C32 | H32A | 108.5° | 109.4° |
| C32 | C36 | H36 | 108.1° | 109.4° |
| C33 | C35 | N39 | 111.2° | 109.4° |
| C35 | C33 | H33 | 108.3° | 109.5° |
| C35 | C33 | H33A | 108.3° | 109.5° |
| C33 | C35 | H35 | 108.6° | 109.5° |
| C38 | C34 | N42 | 111.7° | 109.5° |
| C34 | C38 | C37 | 112.4° | 109.5° |
| C34 | C38 | O46 | 108.6° | 109.5° |
| C38 | C34 | H34 | 108.7° | 109.5° |
| C38 | C34 | H34A | 108.7° | 109.5° |
| C34 | C38 | H38 | 108.1° | 109.5° |
| N42 | C34 | H34 | 108.8° | 109.5° |
| N42 | C34 | H34A | 108.7° | 109.4° |
| C34 | N42 | HN42 | 110.1° | 111.0° |
| N39 | C35 | H35 | 105.9° | 109.4° |
| C38 | C37 | N41 | 111.6° | 109.5° |
| C37 | C38 | O46 | 109.5° | 109.5° |
| C38 | C37 | H37 | 106.8° | 109.5° |
| C37 | C38 | H38 | 107.2° | 109.5° |
| N41 | C37 | H37 | 108.0° | 109.5° |
| C37 | N41 | HN41 | 118.7° | 120.0° |
| O46 | C38 | H38 | 111.0° | 109.4° |
| C38 | O46 | HO46 | 109.5° | 113.9° |
| H22 | C22 | H22A | 108.1° | 110.9° |
| H23 | C23 | H23A | 106.4° | 110.3° |
| H25 | C25 | H25A | 109.5° | 109.5° |
| H25 | C25 | H25B | 109.4° | 109.5° |
| H25A | C25 | H25B | 109.5° | 109.4° |
| H26 | C26 | H26A | 109.5° | 109.5° |
| H26 | C26 | H26B | 109.5° | 109.4° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| H27 | C27 | H27A | 109.5° | 109.4° |
| H27 | C27 | H27B | 109.5° | 109.5° |
| H27A | C27 | H27B | 109.5° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.4° |
| H28 | C28 | H28B | 109.4° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.5° |
| H29 | C29 | H29A | 108.9° | 109.5° |
| H30 | C30 | H30A | 111.5° | 109.5° |
| H31 | C31 | H31A | 110.0° | 109.5° |
| H32 | C32 | H32A | 110.4° | 109.5° |
| H33 | C33 | H33A | 110.6° | 109.5° |
| H34 | C34 | H34A | 110.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | C4 | H1 | 180.0° | 179.7° |
| C1 | C3 | C8 | H3 | 180.0° | 180.0° |
| C3 | C1 | C4 | C9 | 0.2° | 0.0° |
| C1 | C3 | C8 | C15 | 0.3° | 0.0° |
| C3 | C1 | C4 | H4 | 179.7° | 180.0° |
| C1 | C3 | C8 | H8 | 179.7° | 179.9° |
| C4 | C1 | C3 | C8 | 0.4° | 0.0° |
| C1 | C4 | C9 | H4 | 180.0° | 180.0° |
| C1 | C4 | C9 | C15 | 0.1° | 0.1° |
| C4 | C1 | C3 | H3 | 179.5° | 180.0° |
| C1 | C4 | C9 | H9 | 179.9° | 179.9° |
| C5 | C2 | C6 | H2 | 180.0° | 179.7° |
| C2 | C5 | C10 | H5 | 180.0° | 179.8° |
| C5 | C2 | C6 | C11 | 0.0° | 0.1° |
| C2 | C5 | C10 | C16 | 0.1° | 0.0° |
| C5 | C2 | C6 | H6 | 180.0° | 179.9° |
| C2 | C5 | C10 | H10 | 179.9° | 180.0° |
| C6 | C2 | C5 | C10 | 0.1° | 0.1° |
| C2 | C6 | C11 | H6 | 180.0° | 180.0° |
| C2 | C6 | C11 | C16 | 0.1° | 0.0° |
| C6 | C2 | C5 | H5 | 179.9° | 179.9° |
| C2 | C6 | C11 | H11 | 179.9° | 180.0° |
| C3 | C8 | C15 | H8 | 180.0° | 179.9° |
| C3 | C8 | C15 | C9 | 0.0° | 0.0° |
| C3 | C8 | C15 | C29 | 179.9° | 179.9° |
| C8 | C3 | C1 | H1 | 179.6° | 179.7° |
| C4 | C9 | C15 | C8 | 0.2° | 0.1° |
| C4 | C9 | C15 | H9 | 180.0° | 179.8° |
| C4 | C9 | C15 | C29 | 179.9° | 180.0° |
| C9 | C4 | C1 | H1 | 179.8° | 179.8° |
| C5 | C10 | C16 | H10 | 180.0° | 180.0° |
| C5 | C10 | C16 | C11 | 0.0° | 0.0° |
| C5 | C10 | C16 | C30 | 180.0° | 179.9° |
| C10 | C5 | C2 | H2 | 179.9° | 179.7° |
| C6 | C11 | C16 | C10 | 0.1° | 0.0° |
| C6 | C11 | C16 | H11 | 180.0° | 180.0° |
| C6 | C11 | C16 | C30 | 179.9° | 179.9° |
| C11 | C6 | C2 | H2 | 180.0° | 179.7° |
| C12 | C7 | C13 | H7 | 180.0° | 179.7° |
| C7 | C12 | C17 | H12 | 180.0° | 180.0° |
| C12 | C7 | C13 | C18 | 0.0° | 0.1° |
| C7 | C12 | C17 | C14 | 0.2° | 0.0° |
| C7 | C12 | C17 | C31 | 179.9° | 179.9° |
| C12 | C7 | C13 | H13 | 180.0° | 179.9° |
| C13 | C7 | C12 | C17 | 0.3° | 0.0° |
| C7 | C13 | C18 | H13 | 180.0° | 180.0° |
| C7 | C13 | C18 | C14 | 0.3° | 0.1° |
| C7 | C13 | C18 | O47 | 179.8° | 180.0° |
| C13 | C7 | C12 | H12 | 179.7° | 180.0° |
| C8 | C15 | C9 | C29 | 179.9° | 179.9° |
| C8 | C15 | C29 | C33 | 86.8° | 90.0° |
| C15 | C8 | C3 | H3 | 179.7° | 180.0° |
| C8 | C15 | C9 | H9 | 179.8° | 179.9° |
| C8 | C15 | C29 | H29 | 153.2° | 150.0° |
| C8 | C15 | C29 | H29A | 33.2° | 30.0° |
| C9 | C15 | C29 | C33 | 93.1° | 90.1° |
| C15 | C9 | C4 | H4 | 180.0° | 179.9° |
| C9 | C15 | C8 | H8 | 180.0° | 179.9° |
| C9 | C15 | C29 | H29 | 26.9° | 29.8° |
| C9 | C15 | C29 | H29A | 146.9° | 149.9° |
| C10 | C16 | C11 | C30 | 180.0° | 180.0° |
| C10 | C16 | C30 | C37 | 58.1° | 91.3° |
| C16 | C10 | C5 | H5 | 179.9° | 179.9° |
| C10 | C16 | C11 | H11 | 179.9° | 180.0° |
| C10 | C16 | C30 | H30 | 61.9° | 148.8° |
| C10 | C16 | C30 | H30A | 178.1° | 28.7° |
| C11 | C16 | C30 | C37 | 121.9° | 88.8° |
| C16 | C11 | C6 | H6 | 179.9° | 180.0° |
| C11 | C16 | C10 | H10 | 180.0° | 180.0° |
| C11 | C16 | C30 | H30 | 118.1° | 31.2° |
| C11 | C16 | C30 | H30A | 1.9° | 151.3° |
| C12 | C17 | C14 | C31 | 179.9° | 179.9° |
| C12 | C17 | C14 | C18 | 0.1° | 0.0° |
| C12 | C17 | C31 | N42 | 147.3° | 90.1° |
| C17 | C12 | C7 | H7 | 179.7° | 179.7° |
| C12 | C17 | C14 | H14 | 179.8° | 179.9° |
| C12 | C17 | C31 | H31 | 27.3° | 150.0° |
| C12 | C17 | C31 | H31A | 92.8° | 29.9° |
| C13 | C18 | C14 | C17 | 0.4° | 0.0° |
| C13 | C18 | C14 | O47 | 179.9° | 179.9° |
| C13 | C18 | O47 | C28 | 4.8° | 0.0° |
| C18 | C13 | C7 | H7 | 180.0° | 179.7° |
| C13 | C18 | C14 | H14 | 179.6° | 180.0° |
| C17 | C14 | C18 | H14 | 180.0° | 180.0° |
| C17 | C14 | C18 | O47 | 179.7° | 179.9° |
| C14 | C17 | C31 | N42 | 32.7° | 90.0° |
| C14 | C17 | C12 | H12 | 179.8° | 180.0° |
| C14 | C17 | C31 | H31 | 152.7° | 29.9° |
| C14 | C17 | C31 | H31A | 87.3° | 150.0° |
| C18 | C14 | C17 | C31 | 179.8° | 180.0° |
| C14 | C18 | O47 | C28 | 175.1° | 179.9° |
| C14 | C18 | C13 | H13 | 179.6° | 180.0° |
| C15 | C29 | C33 | H29 | 120.0° | 120.0° |
| C15 | C29 | C33 | H29A | 120.0° | 120.0° |
| C15 | C29 | C33 | C35 | 174.1° | 180.0° |
| C29 | C15 | C8 | H8 | 0.1° | 0.0° |
| C29 | C15 | C9 | H9 | 0.1° | 0.2° |
| C15 | C29 | H29 | H29A | 120.6° | 120.0° |
| C15 | C29 | C33 | H33 | 65.9° | 60.0° |
| C15 | C29 | C33 | H33A | 54.1° | 60.0° |
| C16 | C30 | C37 | H30 | 120.0° | 120.0° |
| C16 | C30 | C37 | H30A | 120.0° | 120.0° |
| C16 | C30 | C37 | C38 | 168.9° | 173.9° |
| C16 | C30 | C37 | N41 | 43.8° | 66.1° |
| C30 | C16 | C10 | H10 | 0.0° | 0.0° |
| C30 | C16 | C11 | H11 | 0.1° | 0.1° |
| C16 | C30 | H30 | H30A | 117.4° | 120.1° |
| C16 | C30 | C37 | H37 | 74.0° | 53.9° |
| C17 | C31 | N42 | H31 | 120.0° | 120.0° |
| C17 | C31 | N42 | H31A | 120.0° | 120.0° |
| C17 | C31 | N42 | C34 | 95.5° | 180.0° |
| C31 | C17 | C12 | H12 | 0.1° | 0.1° |
| C31 | C17 | C14 | H14 | 0.2° | 0.0° |
| C17 | C31 | H31 | H31A | 119.4° | 120.1° |
| C17 | C31 | N42 | HN42 | 144.5° | 56.0° |
| O47 | C18 | C13 | H13 | 0.3° | 0.0° |
| O47 | C18 | C14 | H14 | 0.3° | 0.1° |
| C18 | O47 | C28 | H28 | 180.0° | 180.0° |
| C18 | O47 | C28 | H28A | 60.0° | 60.0° |
| C18 | O47 | C28 | H28B | 60.0° | 60.0° |
| C24 | C19 | N39 | O43 | 178.8° | 179.8° |
| C19 | C24 | N40 | C20 | 49.4° | 53.4° |
| C19 | C24 | C22 | C23 | 37.5° | 24.8° |
| C19 | C24 | C22 | C36 | 120.5° | 118.7° |
| C19 | C24 | C22 | N40 | 112.4° | 118.7° |
| C24 | C19 | N39 | C23 | 1.4° | 0.4° |
| C19 | C24 | C36 | N40 | 116.8° | 122.6° |
| C19 | C24 | C36 | C27 | 177.6° | 178.5° |
| C19 | C24 | C36 | C32 | 54.2° | 61.4° |
| C24 | C19 | N39 | C35 | 179.9° | 179.6° |
| C19 | C24 | C22 | H22 | 157.4° | 93.3° |
| C19 | C24 | C22 | H22A | 82.5° | 142.9° |
| C19 | C24 | C36 | H36 | 63.0° | 58.5° |
| C19 | C24 | N40 | HN40 | 130.6° | 126.6° |
| C19 | N39 | C35 | C21 | 133.7° | 62.0° |
| C19 | N39 | C23 | C22 | 21.5° | 17.0° |
| N39 | C19 | C24 | C22 | 23.6° | 16.2° |
| C19 | N39 | C23 | C35 | 178.7° | 180.0° |
| N39 | C19 | C24 | C36 | 97.7° | 134.9° |
| N39 | C19 | C24 | N40 | 142.5° | 102.4° |
| C19 | N39 | C35 | C33 | 99.9° | 58.0° |
| C19 | N39 | C23 | H23 | 141.5° | 102.0° |
| C19 | N39 | C23 | H23A | 98.5° | 136.1° |
| C19 | N39 | C35 | H35 | 17.9° | 178.0° |
| O43 | C19 | C24 | C22 | 157.6° | 163.5° |
| O43 | C19 | N39 | C23 | 179.8° | 179.8° |
| O43 | C19 | C24 | C36 | 81.1° | 44.8° |
| O43 | C19 | C24 | N40 | 38.7° | 77.8° |
| O43 | C19 | N39 | C35 | 1.1° | 0.2° |
| C25 | C20 | N40 | O44 | 179.9° | 180.0° |
| C25 | C20 | N40 | C24 | 179.5° | 174.8° |
| C20 | C25 | H25 | H25A | 120.0° | 120.0° |
| C20 | C25 | H25 | H25B | 120.0° | 120.0° |
| C20 | C25 | H25A | H25B | 120.0° | 120.0° |
| C25 | C20 | N40 | HN40 | 0.5° | 5.2° |
| C20 | N40 | C24 | C22 | 60.8° | 61.3° |
| C20 | N40 | C24 | C36 | 170.5° | 176.1° |
| C20 | N40 | C24 | HN40 | 180.0° | 180.0° |
| N40 | C20 | C25 | H25 | 179.9° | 65.0° |
| N40 | C20 | C25 | H25A | 60.0° | 175.0° |
| N40 | C20 | C25 | H25B | 60.0° | 55.0° |
| O44 | C20 | N40 | C24 | 0.5° | 5.2° |
| O44 | C20 | C25 | H25 | 0.0° | 115.0° |
| O44 | C20 | C25 | H25A | 120.0° | 5.0° |
| O44 | C20 | C25 | H25B | 120.0° | 125.0° |
| O44 | C20 | N40 | HN40 | 179.5° | 174.9° |
| C35 | C21 | N41 | O45 | 178.7° | 179.9° |
| C21 | C35 | N39 | C23 | 47.8° | 118.0° |
| C21 | C35 | C33 | C29 | 163.1° | 175.0° |
| C21 | C35 | C33 | N39 | 127.8° | 120.0° |
| C21 | C35 | C33 | H35 | 116.1° | 120.1° |
| C21 | C35 | N39 | H35 | 115.8° | 120.0° |
| C35 | C21 | N41 | C37 | 179.4° | 174.7° |
| C21 | C35 | C33 | H33 | 43.1° | 55.0° |
| C21 | C35 | C33 | H33A | 76.9° | 65.0° |
| C35 | C21 | N41 | HN41 | 0.6° | 5.3° |
| C21 | N41 | C37 | C30 | 137.2° | 102.3° |
| N41 | C21 | C35 | C33 | 176.1° | 71.4° |
| N41 | C21 | C35 | N39 | 49.7° | 168.7° |
| C21 | N41 | C37 | C38 | 97.6° | 137.8° |
| C21 | N41 | C37 | HN41 | 180.0° | 180.0° |
| N41 | C21 | C35 | H35 | 66.1° | 48.7° |
| C21 | N41 | C37 | H37 | 19.5° | 17.7° |
| O45 | C21 | C35 | C33 | 5.1° | 108.7° |
| O45 | C21 | C35 | N39 | 131.5° | 11.3° |
| O45 | C21 | N41 | C37 | 0.6° | 5.2° |
| O45 | C21 | C35 | H35 | 112.7° | 131.3° |
| O45 | C21 | N41 | HN41 | 179.3° | 174.7° |
| C23 | C22 | C24 | H22 | 120.0° | 118.1° |
| C23 | C22 | C24 | H22A | 120.0° | 118.1° |
| C22 | C23 | N39 | H23 | 120.0° | 119.0° |
| C22 | C23 | N39 | H23A | 120.0° | 119.1° |
| C23 | C22 | C24 | C36 | 83.0° | 143.5° |
| C23 | C22 | C24 | N40 | 149.9° | 93.9° |
| C22 | C23 | N39 | C35 | 157.2° | 163.0° |
| C23 | C22 | H22 | H22A | 121.7° | 123.8° |
| C22 | C23 | H23 | H23A | 123.4° | 122.0° |
| C24 | C22 | C23 | N39 | 36.3° | 25.4° |
| C22 | C24 | C36 | N40 | 129.0° | 122.6° |
| C22 | C24 | C36 | C27 | 68.2° | 63.7° |
| C22 | C24 | C36 | C32 | 168.4° | 176.2° |
| C24 | C22 | H22 | H22A | 121.7° | 123.8° |
| C24 | C22 | C23 | H23 | 156.3° | 93.5° |
| C24 | C22 | C23 | H23A | 83.7° | 144.4° |
| C22 | C24 | C36 | H36 | 51.3° | 56.3° |
| C22 | C24 | N40 | HN40 | 119.2° | 118.6° |
| C23 | N39 | C35 | C33 | 78.6° | 122.0° |
| N39 | C23 | C22 | H22 | 156.3° | 92.7° |
| N39 | C23 | C22 | H22A | 83.7° | 143.5° |
| N39 | C23 | H23 | H23A | 123.4° | 121.9° |
| C23 | N39 | C35 | H35 | 163.6° | 2.0° |
| C24 | C36 | C32 | C26 | 157.5° | 175.0° |
| C24 | C36 | C27 | C32 | 127.6° | 120.0° |
| C24 | C36 | C27 | H36 | 114.4° | 120.0° |
| C24 | C36 | C32 | H36 | 114.0° | 120.0° |
| C36 | C24 | C22 | H22 | 37.0° | 25.4° |
| C36 | C24 | C22 | H22A | 157.0° | 98.4° |
| C24 | C36 | C27 | H27 | 180.0° | 60.0° |
| C24 | C36 | C27 | H27A | 60.0° | 180.0° |
| C24 | C36 | C27 | H27B | 60.0° | 60.0° |
| C24 | C36 | C32 | H32 | 37.5° | 54.9° |
| C24 | C36 | C32 | H32A | 82.5° | 65.1° |
| C36 | C24 | N40 | HN40 | 9.5° | 4.0° |
| N40 | C24 | C36 | C27 | 60.8° | 58.8° |
| N40 | C24 | C36 | C32 | 62.6° | 61.2° |
| N40 | C24 | C22 | H22 | 90.1° | 148.0° |
| N40 | C24 | C22 | H22A | 29.9° | 24.3° |
| N40 | C24 | C36 | H36 | 179.7° | 178.9° |
| C26 | C32 | C36 | C27 | 76.5° | 64.9° |
| C26 | C32 | C36 | H32 | 120.0° | 120.1° |
| C26 | C32 | C36 | H32A | 120.0° | 119.9° |
| C32 | C26 | H26 | H26A | 120.0° | 120.1° |
| C32 | C26 | H26 | H26B | 120.0° | 120.0° |
| C32 | C26 | H26A | H26B | 120.0° | 120.0° |
| C26 | C32 | H32 | H32A | 118.8° | 120.0° |
| C26 | C32 | C36 | H36 | 43.5° | 55.1° |
| C27 | C36 | C32 | H36 | 120.0° | 120.0° |
| C36 | C27 | H27 | H27A | 120.0° | 119.9° |
| C36 | C27 | H27 | H27B | 120.0° | 120.0° |
| C36 | C27 | H27A | H27B | 120.0° | 120.0° |
| C27 | C36 | C32 | H32 | 163.5° | 175.0° |
| C27 | C36 | C32 | H32A | 43.5° | 55.0° |
| O47 | C28 | H28 | H28A | 120.0° | 120.0° |
| O47 | C28 | H28 | H28B | 120.0° | 120.0° |
| O47 | C28 | H28A | H28B | 120.0° | 120.0° |
| C29 | C33 | C35 | H33 | 120.0° | 120.0° |
| C29 | C33 | C35 | H33A | 120.0° | 120.0° |
| C29 | C33 | C35 | N39 | 69.2° | 65.0° |
| C33 | C29 | H29 | H29A | 120.6° | 120.0° |
| C29 | C33 | H33 | H33A | 118.5° | 120.0° |
| C29 | C33 | C35 | H35 | 47.0° | 54.9° |
| C30 | C37 | C38 | C34 | 174.0° | 65.0° |
| C30 | C37 | C38 | N41 | 124.7° | 120.0° |
| C30 | C37 | C38 | H37 | 117.6° | 120.0° |
| C30 | C37 | N41 | H37 | 117.7° | 120.0° |
| C30 | C37 | C38 | O46 | 53.2° | 55.0° |
| C37 | C30 | H30 | H30A | 117.3° | 120.0° |
| C30 | C37 | C38 | H38 | 67.3° | 175.0° |
| C30 | C37 | N41 | HN41 | 42.8° | 77.7° |
| C31 | N42 | C34 | C38 | 158.9° | 180.0° |
| C31 | N42 | C34 | HN42 | 120.0° | 123.9° |
| N42 | C31 | H31 | H31A | 119.4° | 119.9° |
| C31 | N42 | C34 | H34 | 81.1° | 60.0° |
| C31 | N42 | C34 | H34A | 38.9° | 60.0° |
| C36 | C32 | C26 | H26 | 180.0° | 59.9° |
| C36 | C32 | C26 | H26A | 60.0° | 180.0° |
| C36 | C32 | C26 | H26B | 60.0° | 60.0° |
| C32 | C36 | C27 | H27 | 52.4° | 60.0° |
| C32 | C36 | C27 | H27A | 172.4° | 60.0° |
| C32 | C36 | C27 | H27B | 67.6° | 180.0° |
| C36 | C32 | H32 | H32A | 118.8° | 120.0° |
| C33 | C35 | N39 | H35 | 117.8° | 120.0° |
| C35 | C33 | C29 | H29 | 54.1° | 60.0° |
| C35 | C33 | C29 | H29A | 65.9° | 60.0° |
| C35 | C33 | H33 | H33A | 118.5° | 120.0° |
| C38 | C34 | N42 | H34 | 120.0° | 120.0° |
| C38 | C34 | N42 | H34A | 120.0° | 120.0° |
| C34 | C38 | C37 | O46 | 120.8° | 120.0° |
| C34 | C38 | C37 | H38 | 118.7° | 120.0° |
| C34 | C38 | C37 | N41 | 61.3° | 175.0° |
| C34 | C38 | O46 | H38 | 118.8° | 120.0° |
| C38 | C34 | H34 | H34A | 119.1° | 120.0° |
| C34 | C38 | C37 | H37 | 56.4° | 55.0° |
| C38 | C34 | N42 | HN42 | 81.1° | 56.1° |
| C34 | C38 | O46 | HO46 | 180.0° | 60.0° |
| N42 | C34 | C38 | C37 | 151.6° | 175.0° |
| N42 | C34 | C38 | O46 | 30.3° | 65.0° |
| C34 | N42 | C31 | H31 | 24.5° | 60.0° |
| C34 | N42 | C31 | H31A | 144.5° | 60.0° |
| N42 | C34 | H34 | H34A | 119.1° | 120.0° |
| N42 | C34 | C38 | H38 | 90.3° | 55.0° |
| C35 | N39 | C23 | H23 | 37.1° | 78.0° |
| C35 | N39 | C23 | H23A | 82.9° | 43.9° |
| N39 | C35 | C33 | H33 | 170.8° | 175.0° |
| N39 | C35 | C33 | H33A | 50.8° | 55.0° |
| C38 | C37 | N41 | H37 | 117.1° | 120.0° |
| C37 | C38 | O46 | H38 | 118.2° | 120.0° |
| C38 | C37 | C30 | H30 | 71.0° | 53.9° |
| C38 | C37 | C30 | H30A | 48.9° | 66.1° |
| C37 | C38 | C34 | H34 | 88.4° | 55.0° |
| C37 | C38 | C34 | H34A | 31.6° | 65.0° |
| C38 | C37 | N41 | HN41 | 82.4° | 42.2° |
| C37 | C38 | O46 | HO46 | 57.0° | 60.0° |
| N41 | C37 | C38 | O46 | 177.9° | 64.9° |
| N41 | C37 | C30 | H30 | 163.9° | 173.9° |
| N41 | C37 | C30 | H30A | 76.2° | 53.9° |
| N41 | C37 | C38 | H38 | 57.3° | 55.0° |
| O46 | C38 | C34 | H34 | 150.3° | 175.1° |
| O46 | C38 | C34 | H34A | 89.7° | 55.0° |
| O46 | C38 | C37 | H37 | 64.4° | 175.0° |
| H1 | C1 | C3 | H3 | 0.5° | 0.3° |
| H1 | C1 | C4 | H4 | 0.3° | 0.3° |
| H2 | C2 | C5 | H5 | 0.1° | 0.4° |
| H2 | C2 | C6 | H6 | 0.0° | 0.3° |
| H3 | C3 | C8 | H8 | 0.3° | 0.1° |
| H4 | C4 | C9 | H9 | 0.1° | 0.1° |
| H5 | C5 | C10 | H10 | 0.1° | 0.1° |
| H6 | C6 | C11 | H11 | 0.1° | 0.0° |
| H7 | C7 | C12 | H12 | 0.3° | 0.3° |
| H7 | C7 | C13 | H13 | 0.0° | 0.3° |
| H22 | C22 | C23 | H23 | 83.7° | 148.4° |
| H22 | C22 | C23 | H23A | 36.3° | 26.3° |
| H22A | C22 | C23 | H23 | 36.3° | 24.6° |
| H22A | C22 | C23 | H23A | 156.3° | 97.4° |
| H25 | C25 | H25A | H25B | 120.0° | 120.0° |
| H26 | C26 | H26A | H26B | 120.0° | 119.9° |
| H26 | C26 | C32 | H32 | 60.0° | 180.0° |
| H26 | C26 | C32 | H32A | 60.0° | 60.0° |
| H26A | C26 | C32 | H32 | 60.0° | 59.9° |
| H26A | C26 | C32 | H32A | 180.0° | 60.1° |
| H26B | C26 | C32 | H32 | 180.0° | 60.1° |
| H26B | C26 | C32 | H32A | 60.0° | 180.0° |
| H27 | C27 | H27A | H27B | 120.0° | 120.0° |
| H27 | C27 | C36 | H36 | 65.6° | 179.9° |
| H27A | C27 | C36 | H36 | 54.4° | 60.0° |
| H27B | C27 | C36 | H36 | 174.4° | 60.0° |
| H28 | C28 | H28A | H28B | 120.0° | 120.0° |
| H29 | C29 | C33 | H33 | 174.1° | 180.0° |
| H29 | C29 | C33 | H33A | 65.9° | 60.0° |
| H29A | C29 | C33 | H33 | 54.1° | 60.0° |
| H29A | C29 | C33 | H33A | 174.1° | 180.0° |
| H30 | C30 | C37 | H37 | 46.0° | 66.1° |
| H30A | C30 | C37 | H37 | 166.0° | 173.9° |
| H31 | C31 | N42 | HN42 | 95.5° | 176.0° |
| H31A | C31 | N42 | HN42 | 24.5° | 64.0° |
| H32 | C32 | C36 | H36 | 76.5° | 65.0° |
| H32A | C32 | C36 | H36 | 163.5° | 175.0° |
| H33 | C33 | C35 | H35 | 73.1° | 65.0° |
| H33A | C33 | C35 | H35 | 167.0° | 175.0° |
| H34 | C34 | C38 | H38 | 29.7° | 65.0° |
| H34 | C34 | N42 | HN42 | 38.9° | 63.9° |
| H34A | C34 | C38 | H38 | 149.7° | 175.0° |
| H34A | C34 | N42 | HN42 | 158.9° | 176.1° |
| H37 | C37 | C38 | H38 | 175.1° | 65.0° |
| H37 | C37 | N41 | HN41 | 160.5° | 162.2° |
| H38 | C38 | O46 | HO46 | 61.2° | 180.0° |
