PB0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C27 | sing | 1.51Å | 1.50Å | |
| C10 | C28 | sing | 1.51Å | 1.51Å | |
| F46 | C11 | sing | 1.35Å | 1.34Å | |
| C12 | F47 | sing | 1.35Å | 1.35Å | |
| N38 | C13 | sing | 1.34Å | 1.34Å | |
| C13 | O41 | doub | 1.21Å | 1.22Å | |
| C13 | C22 | sing | 1.51Å | 1.51Å | |
| O42 | C14 | doub | 1.21Å | 1.22Å | |
| C23 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | N39 | sing | 1.35Å | 1.36Å | |
| C33 | C15 | sing | 1.51Å | 1.51Å | |
| O43 | C15 | doub | 1.21Å | 1.23Å | |
| C15 | N40 | sing | 1.35Å | 1.35Å | |
| C16 | C18 | sing | 1.54Å | 1.53Å | |
| C16 | C22 | sing | 1.55Å | 1.53Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | C20 | sing | 1.55Å | 1.54Å | |
| C17 | C21 | sing | 1.55Å | 1.54Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | N38 | sing | 1.47Å | 1.46Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C20 | C19 | sing | 1.54Å | 1.53Å | |
| C19 | N37 | sing | 1.48Å | 1.49Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | O45 | sing | 1.43Å | 1.44Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | C34 | sing | 1.53Å | 1.54Å | |
| C21 | N37 | sing | 1.49Å | 1.50Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| N39 | C22 | sing | 1.46Å | 1.47Å | |
| C22 | C29 | sing | 1.53Å | 1.54Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C30 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C35 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C26 | C35 | sing | 1.53Å | 1.52Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C27 | C31 | sing | 1.53Å | 1.52Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C36 | C28 | sing | 1.53Å | 1.54Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | C35 | sing | 1.53Å | 1.53Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C32 | C30 | sing | 1.53Å | 1.54Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | C33 | sing | 1.53Å | 1.52Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | O45 | sing | 1.43Å | 1.43Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | N38 | sing | 1.47Å | 1.47Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | O44 | sing | 1.43Å | 1.43Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| N40 | C36 | sing | 1.47Å | 1.47Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| N37 | HN37 | sing | 1.01Å | 1.00Å | |
| N39 | HN39 | sing | 0.97Å | 1.00Å | |
| N40 | HN40 | sing | 0.97Å | 1.00Å | |
| O44 | HO44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | C2 | 120.4° | 120.1° |
| C3 | C1 | H1 | 119.8° | 120.0° |
| C1 | C3 | C5 | 120.5° | 120.0° |
| C1 | C3 | H3 | 119.7° | 120.0° |
| C2 | C1 | H1 | 119.8° | 119.9° |
| C1 | C2 | C4 | 119.1° | 120.0° |
| C1 | C2 | H2 | 120.5° | 120.1° |
| C4 | C2 | H2 | 120.4° | 120.0° |
| C2 | C4 | C9 | 120.4° | 120.0° |
| C2 | C4 | H4 | 119.8° | 120.0° |
| C5 | C3 | H3 | 119.8° | 120.0° |
| C3 | C5 | C9 | 118.9° | 120.0° |
| C3 | C5 | H5 | 120.6° | 120.0° |
| C9 | C4 | H4 | 119.8° | 120.0° |
| C4 | C9 | C5 | 120.7° | 120.0° |
| C4 | C9 | C27 | 119.7° | 120.0° |
| C9 | C5 | H5 | 120.5° | 120.0° |
| C5 | C9 | C27 | 119.6° | 120.0° |
| C11 | C6 | C10 | 120.2° | 120.1° |
| C11 | C6 | H6 | 119.9° | 119.9° |
| C6 | C11 | C8 | 121.2° | 120.0° |
| C6 | C11 | F46 | 118.7° | 120.0° |
| C10 | C6 | H6 | 119.9° | 120.0° |
| C6 | C10 | C7 | 118.7° | 120.0° |
| C6 | C10 | C28 | 121.4° | 120.0° |
| C12 | C7 | C10 | 121.6° | 120.0° |
| C12 | C7 | H7 | 119.2° | 120.0° |
| C7 | C12 | C8 | 119.1° | 120.0° |
| C7 | C12 | F47 | 119.6° | 120.0° |
| C10 | C7 | H7 | 119.2° | 120.0° |
| C7 | C10 | C28 | 119.9° | 120.0° |
| C11 | C8 | C12 | 119.2° | 119.9° |
| C11 | C8 | H8 | 120.4° | 120.1° |
| C8 | C11 | F46 | 120.1° | 120.0° |
| C12 | C8 | H8 | 120.4° | 120.0° |
| C8 | C12 | F47 | 121.3° | 120.0° |
| C9 | C27 | C31 | 108.0° | 109.5° |
| C9 | C27 | H27 | 110.0° | 109.5° |
| C9 | C27 | H27A | 110.0° | 109.5° |
| C10 | C28 | C36 | 113.1° | 109.5° |
| C10 | C28 | H28 | 108.3° | 109.5° |
| C10 | C28 | H28A | 108.3° | 109.5° |
| N38 | C13 | O41 | 125.4° | 124.9° |
| N38 | C13 | C22 | 111.8° | 110.1° |
| C13 | N38 | C18 | 108.5° | 111.3° |
| C13 | N38 | C33 | 126.1° | 124.3° |
| O41 | C13 | C22 | 122.8° | 125.0° |
| C13 | C22 | C16 | 102.6° | 104.2° |
| C13 | C22 | N39 | 112.3° | 110.5° |
| C13 | C22 | C29 | 109.8° | 110.4° |
| O42 | C14 | C23 | 115.1° | 120.0° |
| O42 | C14 | N39 | 124.7° | 120.0° |
| C23 | C14 | N39 | 120.2° | 120.1° |
| C14 | C23 | H23 | 109.5° | 109.5° |
| C14 | C23 | H23A | 109.4° | 109.5° |
| C14 | C23 | H23B | 109.5° | 109.5° |
| C14 | N39 | C22 | 127.1° | 120.1° |
| C14 | N39 | HN39 | 116.4° | 119.9° |
| C33 | C15 | O43 | 121.2° | 120.0° |
| C33 | C15 | N40 | 118.3° | 120.0° |
| C15 | C33 | C31 | 110.1° | 109.5° |
| C15 | C33 | N38 | 114.4° | 109.5° |
| C15 | C33 | H33 | 106.8° | 109.5° |
| O43 | C15 | N40 | 120.5° | 120.0° |
| C15 | N40 | C36 | 123.8° | 120.0° |
| C15 | N40 | HN40 | 118.1° | 120.0° |
| C18 | C16 | C22 | 101.3° | 101.8° |
| C18 | C16 | H16 | 112.3° | 111.0° |
| C18 | C16 | H16A | 112.3° | 111.0° |
| C16 | C18 | N38 | 106.5° | 105.4° |
| C16 | C18 | H18 | 110.5° | 110.3° |
| C16 | C18 | H18A | 110.5° | 110.2° |
| C22 | C16 | H16 | 112.3° | 111.0° |
| C22 | C16 | H16A | 112.3° | 110.9° |
| C16 | C22 | N39 | 109.6° | 110.6° |
| C16 | C22 | C29 | 106.2° | 110.5° |
| H16 | C16 | H16A | 106.5° | 110.9° |
| C20 | C17 | C21 | 105.6° | 102.9° |
| C20 | C17 | H17 | 110.8° | 110.7° |
| C20 | C17 | H17A | 110.8° | 110.7° |
| C17 | C20 | C19 | 102.9° | 105.1° |
| C17 | C20 | O45 | 112.4° | 110.3° |
| C17 | C20 | H20 | 111.4° | 110.3° |
| C21 | C17 | H17 | 110.8° | 110.7° |
| C21 | C17 | H17A | 110.8° | 110.8° |
| C17 | C21 | C34 | 113.9° | 110.7° |
| C17 | C21 | N37 | 103.2° | 103.3° |
| C17 | C21 | H21 | 111.6° | 110.6° |
| H17 | C17 | H17A | 108.1° | 110.8° |
| N38 | C18 | H18 | 110.5° | 110.2° |
| N38 | C18 | H18A | 110.5° | 110.3° |
| C18 | N38 | C33 | 125.4° | 124.3° |
| H18 | C18 | H18A | 108.5° | 110.3° |
| C20 | C19 | N37 | 102.3° | 107.0° |
| C20 | C19 | H19 | 112.0° | 109.9° |
| C20 | C19 | H19A | 111.9° | 110.1° |
| C19 | C20 | O45 | 107.7° | 110.3° |
| C19 | C20 | H20 | 115.8° | 110.3° |
| N37 | C19 | H19 | 112.0° | 109.9° |
| N37 | C19 | H19A | 112.0° | 109.9° |
| C19 | N37 | C21 | 100.7° | 105.8° |
| C19 | N37 | HN37 | 112.5° | 111.0° |
| H19 | C19 | H19A | 106.9° | 110.0° |
| O45 | C20 | H20 | 106.8° | 110.4° |
| C20 | O45 | C32 | 113.4° | 114.0° |
| C34 | C21 | N37 | 111.7° | 110.7° |
| C34 | C21 | H21 | 103.0° | 110.6° |
| C21 | C34 | C36 | 113.7° | 109.5° |
| C21 | C34 | O44 | 110.4° | 109.5° |
| C21 | C34 | H34 | 105.6° | 109.5° |
| N37 | C21 | H21 | 113.8° | 110.8° |
| C21 | N37 | HN37 | 112.5° | 111.0° |
| N39 | C22 | C29 | 115.4° | 110.5° |
| C22 | N39 | HN39 | 116.5° | 120.0° |
| C22 | C29 | C35 | 122.0° | 109.4° |
| C22 | C29 | H29 | 105.5° | 109.5° |
| C22 | C29 | H29A | 105.5° | 109.5° |
| H23 | C23 | H23A | 109.5° | 109.5° |
| H23 | C23 | H23B | 109.5° | 109.4° |
| H23A | C23 | H23B | 109.5° | 109.4° |
| C30 | C24 | H24 | 109.5° | 109.5° |
| C30 | C24 | H24A | 109.5° | 109.5° |
| C30 | C24 | H24B | 109.5° | 109.5° |
| C24 | C30 | C32 | 109.1° | 109.5° |
| C24 | C30 | H30 | 109.6° | 109.5° |
| C24 | C30 | H30A | 109.6° | 109.5° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H24 | C24 | H24B | 109.4° | 109.4° |
| H24A | C24 | H24B | 109.5° | 109.5° |
| C35 | C25 | H25 | 109.5° | 109.5° |
| C35 | C25 | H25A | 109.5° | 109.4° |
| C35 | C25 | H25B | 109.5° | 109.5° |
| C25 | C35 | C26 | 105.1° | 109.5° |
| C25 | C35 | C29 | 105.5° | 109.5° |
| C25 | C35 | H35 | 116.3° | 109.5° |
| H25 | C25 | H25A | 109.5° | 109.5° |
| H25 | C25 | H25B | 109.5° | 109.5° |
| H25A | C25 | H25B | 109.5° | 109.5° |
| C35 | C26 | H26 | 109.5° | 109.5° |
| C35 | C26 | H26A | 109.4° | 109.5° |
| C35 | C26 | H26B | 109.4° | 109.5° |
| C26 | C35 | C29 | 113.9° | 109.5° |
| C26 | C35 | H35 | 108.3° | 109.5° |
| H26 | C26 | H26A | 109.5° | 109.5° |
| H26 | C26 | H26B | 109.5° | 109.4° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| C31 | C27 | H27 | 109.9° | 109.5° |
| C31 | C27 | H27A | 110.0° | 109.5° |
| C27 | C31 | C33 | 111.9° | 109.5° |
| C27 | C31 | H31 | 108.7° | 109.4° |
| C27 | C31 | H31A | 108.7° | 109.5° |
| H27 | C27 | H27A | 109.0° | 109.4° |
| C36 | C28 | H28 | 108.3° | 109.4° |
| C36 | C28 | H28A | 108.3° | 109.4° |
| C28 | C36 | C34 | 107.6° | 109.5° |
| C28 | C36 | N40 | 111.6° | 109.5° |
| C28 | C36 | H36 | 108.6° | 109.5° |
| H28 | C28 | H28A | 110.6° | 109.4° |
| C35 | C29 | H29 | 105.5° | 109.5° |
| C35 | C29 | H29A | 105.5° | 109.5° |
| C29 | C35 | H35 | 107.9° | 109.5° |
| H29 | C29 | H29A | 113.1° | 109.5° |
| C32 | C30 | H30 | 109.6° | 109.4° |
| C32 | C30 | H30A | 109.6° | 109.5° |
| C30 | C32 | O45 | 109.9° | 109.5° |
| C30 | C32 | H32 | 109.3° | 109.5° |
| C30 | C32 | H32A | 109.4° | 109.5° |
| H30 | C30 | H30A | 109.3° | 109.5° |
| C33 | C31 | H31 | 108.7° | 109.4° |
| C33 | C31 | H31A | 108.7° | 109.5° |
| C31 | C33 | N38 | 112.7° | 109.5° |
| C31 | C33 | H33 | 108.7° | 109.5° |
| H31 | C31 | H31A | 110.2° | 109.5° |
| O45 | C32 | H32 | 109.3° | 109.5° |
| O45 | C32 | H32A | 109.3° | 109.4° |
| H32 | C32 | H32A | 109.6° | 109.4° |
| N38 | C33 | H33 | 103.8° | 109.5° |
| C36 | C34 | O44 | 108.7° | 109.5° |
| C36 | C34 | H34 | 107.4° | 109.5° |
| C34 | C36 | N40 | 107.3° | 109.4° |
| C34 | C36 | H36 | 112.8° | 109.5° |
| O44 | C34 | H34 | 110.9° | 109.4° |
| C34 | O44 | HO44 | 109.5° | 114.0° |
| N40 | C36 | H36 | 108.9° | 109.4° |
| C36 | N40 | HN40 | 118.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | C2 | H1 | 180.0° | 179.7° |
| C3 | C1 | C2 | C4 | 0.2° | 0.0° |
| C3 | C1 | C2 | H2 | 179.8° | 180.0° |
| C1 | C3 | C5 | H3 | 180.0° | 180.0° |
| C1 | C3 | C5 | C9 | 0.2° | 0.0° |
| C1 | C3 | C5 | H5 | 179.8° | 180.0° |
| C1 | C2 | C4 | H2 | 180.0° | 180.0° |
| C2 | C1 | C3 | C5 | 0.3° | 0.0° |
| C2 | C1 | C3 | H3 | 179.6° | 180.0° |
| C1 | C2 | C4 | C9 | 0.1° | 0.1° |
| C1 | C2 | C4 | H4 | 179.8° | 180.0° |
| H1 | C1 | C2 | C4 | 179.8° | 179.7° |
| H1 | C1 | C2 | H2 | 0.2° | 0.3° |
| H1 | C1 | C3 | C5 | 179.6° | 179.7° |
| H1 | C1 | C3 | H3 | 0.4° | 0.3° |
| C2 | C4 | C9 | H4 | 180.0° | 180.0° |
| C2 | C4 | C9 | C5 | 0.3° | 0.1° |
| C2 | C4 | C9 | C27 | 179.7° | 180.0° |
| H2 | C2 | C4 | C9 | 179.9° | 180.0° |
| H2 | C2 | C4 | H4 | 0.1° | 0.0° |
| C3 | C5 | C9 | C4 | 0.1° | 0.0° |
| C3 | C5 | C9 | H5 | 180.0° | 180.0° |
| C3 | C5 | C9 | C27 | 179.9° | 179.9° |
| H3 | C3 | C5 | C9 | 179.8° | 179.9° |
| H3 | C3 | C5 | H5 | 0.2° | 0.0° |
| C4 | C9 | C5 | C27 | 180.0° | 179.9° |
| C4 | C9 | C5 | H5 | 179.9° | 180.0° |
| C4 | C9 | C27 | C31 | 66.4° | 90.0° |
| C4 | C9 | C27 | H27 | 173.7° | 149.9° |
| C4 | C9 | C27 | H27A | 53.7° | 30.0° |
| H4 | C4 | C9 | C5 | 179.7° | 180.0° |
| H4 | C4 | C9 | C27 | 0.3° | 0.1° |
| C5 | C9 | C27 | C31 | 113.7° | 90.1° |
| C5 | C9 | C27 | H27 | 6.3° | 30.0° |
| C5 | C9 | C27 | H27A | 126.3° | 149.9° |
| H5 | C5 | C9 | C27 | 0.1° | 0.1° |
| C11 | C6 | C10 | H6 | 180.0° | 179.7° |
| C11 | C6 | C10 | C7 | 0.0° | 0.3° |
| C6 | C11 | C8 | F46 | 179.9° | 179.9° |
| C6 | C11 | C8 | C12 | 0.2° | 0.6° |
| C6 | C11 | C8 | H8 | 179.8° | 179.7° |
| C11 | C6 | C10 | C28 | 179.7° | 179.8° |
| C6 | C10 | C7 | C12 | 0.1° | 0.0° |
| C6 | C10 | C7 | C28 | 179.7° | 180.0° |
| C6 | C10 | C7 | H7 | 179.9° | 180.0° |
| C10 | C6 | C11 | C8 | 0.1° | 0.0° |
| C10 | C6 | C11 | F46 | 180.0° | 179.9° |
| C6 | C10 | C28 | C36 | 53.2° | 91.9° |
| C6 | C10 | C28 | H28 | 66.8° | 148.1° |
| C6 | C10 | C28 | H28A | 173.2° | 28.1° |
| H6 | C6 | C10 | C7 | 180.0° | 180.0° |
| H6 | C6 | C11 | C8 | 179.9° | 179.7° |
| H6 | C6 | C10 | C28 | 0.3° | 0.0° |
| H6 | C6 | C11 | F46 | 0.0° | 0.2° |
| C12 | C7 | C10 | H7 | 180.0° | 179.9° |
| C7 | C12 | C8 | C11 | 0.2° | 0.9° |
| C7 | C12 | C8 | F47 | 179.8° | 179.9° |
| C7 | C12 | C8 | H8 | 179.8° | 179.9° |
| C12 | C7 | C10 | C28 | 179.6° | 179.9° |
| C10 | C7 | C12 | C8 | 0.2° | 0.6° |
| C10 | C7 | C12 | F47 | 180.0° | 179.5° |
| C7 | C10 | C28 | C36 | 126.5° | 88.2° |
| C7 | C10 | C28 | H28 | 113.5° | 31.8° |
| C7 | C10 | C28 | H28A | 6.5° | 151.8° |
| H7 | C7 | C12 | C8 | 179.8° | 179.4° |
| H7 | C7 | C10 | C28 | 0.3° | 0.0° |
| H7 | C7 | C12 | F47 | 0.1° | 0.5° |
| C11 | C8 | C12 | H8 | 180.0° | 179.1° |
| C11 | C8 | C12 | F47 | 180.0° | 179.2° |
| C12 | C8 | C11 | F46 | 179.9° | 179.5° |
| H8 | C8 | C11 | F46 | 0.1° | 0.3° |
| H8 | C8 | C12 | F47 | 0.0° | 0.0° |
| C9 | C27 | C31 | H27 | 120.0° | 120.0° |
| C9 | C27 | C31 | H27A | 120.0° | 120.1° |
| C9 | C27 | H27 | H27A | 120.6° | 120.0° |
| C9 | C27 | C31 | C33 | 176.3° | 180.0° |
| C9 | C27 | C31 | H31 | 56.3° | 60.0° |
| C9 | C27 | C31 | H31A | 63.7° | 60.0° |
| C10 | C28 | C36 | H28 | 120.0° | 120.0° |
| C10 | C28 | C36 | H28A | 120.0° | 120.1° |
| C10 | C28 | H28 | H28A | 118.5° | 120.1° |
| C10 | C28 | C36 | C34 | 171.0° | 176.5° |
| C10 | C28 | C36 | N40 | 53.5° | 63.5° |
| C10 | C28 | C36 | H36 | 66.6° | 56.5° |
| N38 | C13 | O41 | C22 | 179.2° | 179.8° |
| C13 | N38 | C33 | C15 | 136.4° | 64.3° |
| C13 | N38 | C18 | C16 | 18.5° | 17.1° |
| N38 | C13 | C22 | C16 | 19.4° | 16.1° |
| C13 | N38 | C18 | C33 | 179.7° | 179.9° |
| C13 | N38 | C18 | H18 | 138.5° | 101.9° |
| C13 | N38 | C18 | H18A | 101.5° | 136.1° |
| N38 | C13 | C22 | N39 | 137.0° | 102.7° |
| N38 | C13 | C22 | C29 | 93.2° | 134.7° |
| C13 | N38 | C33 | C31 | 97.0° | 55.7° |
| C13 | N38 | C33 | H33 | 20.4° | 175.7° |
| O41 | C13 | C22 | C16 | 161.3° | 163.7° |
| O41 | C13 | N38 | C18 | 180.0° | 179.6° |
| O41 | C13 | C22 | N39 | 43.7° | 77.5° |
| O41 | C13 | C22 | C29 | 86.1° | 45.1° |
| O41 | C13 | N38 | C33 | 0.3° | 0.3° |
| C13 | C22 | N39 | C14 | 43.9° | 63.2° |
| C13 | C22 | C16 | C18 | 28.2° | 24.7° |
| C13 | C22 | C16 | N39 | 119.5° | 118.7° |
| C13 | C22 | C16 | C29 | 115.2° | 118.6° |
| C13 | C22 | C16 | H16 | 148.2° | 93.5° |
| C13 | C22 | C16 | H16A | 91.8° | 142.9° |
| C22 | C13 | N38 | C18 | 0.7° | 0.6° |
| C13 | C22 | N39 | C29 | 126.9° | 122.5° |
| C13 | C22 | C29 | C35 | 145.5° | 172.9° |
| C13 | C22 | C29 | H29 | 25.5° | 53.0° |
| C13 | C22 | C29 | H29A | 94.5° | 67.1° |
| C22 | C13 | N38 | C33 | 179.0° | 179.5° |
| C13 | C22 | N39 | HN39 | 136.1° | 116.9° |
| O42 | C14 | C23 | N39 | 180.0° | 179.9° |
| O42 | C14 | N39 | C22 | 0.2° | 5.0° |
| O42 | C14 | C23 | H23 | 0.0° | 85.0° |
| O42 | C14 | C23 | H23A | 120.0° | 35.0° |
| O42 | C14 | C23 | H23B | 120.0° | 155.0° |
| O42 | C14 | N39 | HN39 | 179.8° | 175.0° |
| C23 | C14 | N39 | C22 | 179.9° | 175.0° |
| C14 | C23 | H23 | H23A | 120.0° | 120.0° |
| C14 | C23 | H23 | H23B | 120.0° | 120.0° |
| C14 | C23 | H23A | H23B | 120.0° | 120.0° |
| C23 | C14 | N39 | HN39 | 0.1° | 5.1° |
| C14 | N39 | C22 | C16 | 69.4° | 178.0° |
| C14 | N39 | C22 | HN39 | 180.0° | 179.9° |
| C14 | N39 | C22 | C29 | 170.8° | 59.4° |
| N39 | C14 | C23 | H23 | 179.9° | 94.9° |
| N39 | C14 | C23 | H23A | 59.9° | 145.0° |
| N39 | C14 | C23 | H23B | 60.1° | 25.1° |
| C33 | C15 | O43 | N40 | 178.5° | 180.0° |
| C15 | C33 | N38 | C18 | 43.3° | 115.6° |
| C15 | C33 | C31 | C27 | 169.6° | 175.0° |
| C15 | C33 | C31 | N38 | 128.9° | 120.0° |
| C15 | C33 | C31 | H33 | 116.6° | 120.0° |
| C15 | C33 | C31 | H31 | 49.6° | 55.0° |
| C15 | C33 | C31 | H31A | 70.3° | 65.0° |
| C15 | C33 | N38 | H33 | 115.9° | 120.0° |
| C33 | C15 | N40 | C36 | 179.2° | 174.3° |
| C33 | C15 | N40 | HN40 | 0.7° | 5.8° |
| O43 | C15 | C33 | C31 | 6.8° | 119.4° |
| O43 | C15 | C33 | N38 | 134.8° | 0.6° |
| O43 | C15 | C33 | H33 | 111.0° | 120.6° |
| O43 | C15 | N40 | C36 | 0.7° | 5.7° |
| O43 | C15 | N40 | HN40 | 179.3° | 174.2° |
| C15 | N40 | C36 | C28 | 140.7° | 96.8° |
| N40 | C15 | C33 | C31 | 174.7° | 60.5° |
| N40 | C15 | C33 | N38 | 46.7° | 179.4° |
| N40 | C15 | C33 | H33 | 67.5° | 59.4° |
| C15 | N40 | C36 | C34 | 101.7° | 143.2° |
| C15 | N40 | C36 | HN40 | 180.0° | 179.9° |
| C15 | N40 | C36 | H36 | 20.8° | 23.2° |
| C18 | C16 | C22 | H16 | 120.0° | 118.2° |
| C18 | C16 | C22 | H16A | 120.0° | 118.1° |
| C18 | C16 | H16 | H16A | 123.3° | 123.8° |
| C16 | C18 | N38 | H18 | 120.0° | 119.0° |
| C16 | C18 | N38 | H18A | 120.0° | 119.0° |
| C16 | C18 | H18 | H18A | 121.2° | 122.0° |
| C18 | C16 | C22 | N39 | 147.7° | 94.0° |
| C18 | C16 | C22 | C29 | 87.0° | 143.3° |
| C16 | C18 | N38 | C33 | 161.7° | 162.9° |
| C22 | C16 | H16 | H16A | 123.3° | 123.7° |
| C22 | C16 | C18 | N38 | 29.2° | 25.4° |
| C22 | C16 | C18 | H18 | 149.2° | 93.5° |
| C22 | C16 | C18 | H18A | 90.8° | 144.4° |
| C16 | C22 | N39 | C29 | 119.8° | 122.7° |
| C16 | C22 | C29 | C35 | 104.3° | 72.3° |
| C16 | C22 | C29 | H29 | 135.7° | 167.7° |
| C16 | C22 | C29 | H29A | 15.7° | 47.6° |
| C16 | C22 | N39 | HN39 | 110.6° | 2.1° |
| H16 | C16 | C18 | N38 | 149.3° | 92.7° |
| H16 | C16 | C18 | H18 | 90.8° | 148.3° |
| H16 | C16 | C18 | H18A | 29.3° | 26.3° |
| H16 | C16 | C22 | N39 | 92.3° | 147.8° |
| H16 | C16 | C22 | C29 | 33.0° | 25.1° |
| H16A | C16 | C18 | N38 | 90.7° | 143.5° |
| H16A | C16 | C18 | H18 | 29.2° | 24.5° |
| H16A | C16 | C18 | H18A | 149.3° | 97.5° |
| H16A | C16 | C22 | N39 | 27.7° | 24.2° |
| H16A | C16 | C22 | C29 | 153.0° | 98.5° |
| C20 | C17 | C21 | H17 | 120.0° | 118.3° |
| C20 | C17 | C21 | H17A | 120.0° | 118.4° |
| C20 | C17 | H17 | H17A | 121.6° | 123.2° |
| C17 | C20 | C19 | O45 | 118.9° | 118.9° |
| C17 | C20 | C19 | H20 | 121.7° | 118.9° |
| C17 | C20 | C19 | N37 | 37.3° | 1.2° |
| C17 | C20 | C19 | H19 | 82.7° | 118.1° |
| C17 | C20 | C19 | H19A | 157.3° | 120.6° |
| C17 | C20 | O45 | H20 | 122.4° | 122.2° |
| C20 | C17 | C21 | C34 | 141.5° | 155.9° |
| C20 | C17 | C21 | N37 | 20.2° | 37.4° |
| C20 | C17 | C21 | H21 | 102.3° | 81.2° |
| C17 | C20 | O45 | C32 | 83.0° | 150.0° |
| C21 | C17 | H17 | H17A | 121.6° | 123.3° |
| C21 | C17 | C20 | C19 | 10.3° | 21.9° |
| C17 | C21 | N37 | C19 | 43.4° | 39.2° |
| C21 | C17 | C20 | O45 | 105.3° | 140.8° |
| C21 | C17 | C20 | H20 | 134.9° | 97.0° |
| C17 | C21 | C34 | N37 | 116.5° | 113.9° |
| C17 | C21 | C34 | H21 | 121.0° | 123.0° |
| C17 | C21 | N37 | H21 | 121.1° | 118.5° |
| C17 | C21 | C34 | C36 | 51.2° | 180.0° |
| C17 | C21 | C34 | O44 | 71.3° | 60.0° |
| C17 | C21 | C34 | H34 | 168.7° | 60.0° |
| C17 | C21 | N37 | HN37 | 163.4° | 159.7° |
| H17 | C17 | C20 | C19 | 130.3° | 96.4° |
| H17 | C17 | C20 | O45 | 14.8° | 22.5° |
| H17 | C17 | C20 | H20 | 105.1° | 144.7° |
| H17 | C17 | C21 | C34 | 21.5° | 37.5° |
| H17 | C17 | C21 | N37 | 99.8° | 80.9° |
| H17 | C17 | C21 | H21 | 137.6° | 160.4° |
| H17A | C17 | C20 | C19 | 109.8° | 140.4° |
| H17A | C17 | C20 | O45 | 134.7° | 100.8° |
| H17A | C17 | C20 | H20 | 14.9° | 21.4° |
| H17A | C17 | C21 | C34 | 98.5° | 85.7° |
| H17A | C17 | C21 | N37 | 140.2° | 155.8° |
| H17A | C17 | C21 | H21 | 17.7° | 37.2° |
| N38 | C18 | H18 | H18A | 121.2° | 122.0° |
| C18 | N38 | C33 | C31 | 83.4° | 124.4° |
| C18 | N38 | C33 | H33 | 159.2° | 4.4° |
| H18 | C18 | N38 | C33 | 41.8° | 78.0° |
| H18A | C18 | N38 | C33 | 78.3° | 44.0° |
| C20 | C19 | N37 | H19 | 120.0° | 119.3° |
| C20 | C19 | N37 | H19A | 120.0° | 119.5° |
| C20 | C19 | H19 | H19A | 122.9° | 121.3° |
| C19 | C20 | O45 | H20 | 125.0° | 122.1° |
| C20 | C19 | N37 | C21 | 50.5° | 25.3° |
| C19 | C20 | O45 | C32 | 164.4° | 94.3° |
| C20 | C19 | N37 | HN37 | 170.6° | 145.8° |
| N37 | C19 | H19 | H19A | 123.0° | 121.1° |
| N37 | C19 | C20 | O45 | 81.6° | 117.7° |
| N37 | C19 | C20 | H20 | 159.0° | 120.2° |
| C19 | N37 | C21 | C34 | 166.2° | 157.7° |
| C19 | N37 | C21 | HN37 | 120.0° | 120.5° |
| C19 | N37 | C21 | H21 | 77.7° | 79.3° |
| H19 | C19 | C20 | O45 | 158.4° | 123.0° |
| H19 | C19 | C20 | H20 | 39.0° | 0.8° |
| H19 | C19 | N37 | C21 | 69.5° | 94.0° |
| H19 | C19 | N37 | HN37 | 50.6° | 26.5° |
| H19A | C19 | C20 | O45 | 38.4° | 1.7° |
| H19A | C19 | C20 | H20 | 81.0° | 120.4° |
| H19A | C19 | N37 | C21 | 170.5° | 144.8° |
| H19A | C19 | N37 | HN37 | 69.5° | 94.7° |
| C20 | O45 | C32 | C30 | 155.0° | 179.9° |
| C20 | O45 | C32 | H32 | 35.0° | 59.9° |
| C20 | O45 | C32 | H32A | 85.0° | 60.0° |
| H20 | C20 | O45 | C32 | 39.4° | 27.8° |
| C34 | C21 | N37 | H21 | 116.1° | 123.0° |
| C21 | C34 | C36 | C28 | 164.7° | 65.0° |
| C21 | C34 | C36 | O44 | 123.4° | 120.1° |
| C21 | C34 | C36 | H34 | 116.5° | 120.0° |
| C21 | C34 | O44 | H34 | 116.7° | 120.0° |
| C21 | C34 | C36 | N40 | 75.1° | 175.0° |
| C21 | C34 | C36 | H36 | 44.9° | 55.0° |
| C34 | C21 | N37 | HN37 | 73.8° | 81.8° |
| C21 | C34 | O44 | HO44 | 180.0° | 60.0° |
| N37 | C21 | C34 | C36 | 167.6° | 66.1° |
| N37 | C21 | C34 | O44 | 45.2° | 173.8° |
| N37 | C21 | C34 | H34 | 74.8° | 53.8° |
| H21 | C21 | C34 | C36 | 69.9° | 57.0° |
| H21 | C21 | C34 | O44 | 167.7° | 63.0° |
| H21 | C21 | C34 | H34 | 47.7° | 177.0° |
| H21 | C21 | N37 | HN37 | 42.3° | 41.2° |
| N39 | C22 | C29 | C35 | 17.4° | 50.4° |
| N39 | C22 | C29 | H29 | 102.6° | 69.6° |
| N39 | C22 | C29 | H29A | 137.4° | 170.3° |
| C22 | C29 | C35 | C25 | 178.0° | 172.7° |
| C22 | C29 | C35 | C26 | 63.3° | 67.3° |
| C22 | C29 | C35 | H29 | 120.0° | 120.0° |
| C22 | C29 | C35 | H29A | 120.0° | 120.0° |
| C22 | C29 | H29 | H29A | 114.8° | 120.0° |
| C22 | C29 | C35 | H35 | 57.0° | 52.7° |
| C29 | C22 | N39 | HN39 | 9.2° | 120.6° |
| H23 | C23 | H23A | H23B | 120.0° | 119.9° |
| C30 | C24 | H24 | H24A | 120.0° | 120.0° |
| C30 | C24 | H24 | H24B | 120.0° | 120.0° |
| C30 | C24 | H24A | H24B | 120.0° | 120.0° |
| C24 | C30 | C32 | H30 | 120.0° | 120.0° |
| C24 | C30 | C32 | H30A | 120.0° | 120.0° |
| C24 | C30 | H30 | H30A | 120.1° | 120.0° |
| C24 | C30 | C32 | O45 | 69.1° | 180.0° |
| C24 | C30 | C32 | H32 | 170.9° | 60.0° |
| C24 | C30 | C32 | H32A | 50.9° | 60.0° |
| H24 | C24 | H24A | H24B | 120.0° | 120.0° |
| H24 | C24 | C30 | C32 | 180.0° | 180.0° |
| H24 | C24 | C30 | H30 | 60.0° | 60.0° |
| H24 | C24 | C30 | H30A | 60.0° | 60.0° |
| H24A | C24 | C30 | C32 | 60.0° | 60.0° |
| H24A | C24 | C30 | H30 | 60.0° | 60.0° |
| H24A | C24 | C30 | H30A | 180.0° | 180.0° |
| H24B | C24 | C30 | C32 | 60.0° | 60.1° |
| H24B | C24 | C30 | H30 | 180.0° | NaN° |
| H24B | C24 | C30 | H30A | 60.0° | 60.0° |
| C35 | C25 | H25 | H25A | 120.0° | 120.0° |
| C35 | C25 | H25 | H25B | 120.0° | 120.0° |
| C35 | C25 | H25A | H25B | 120.0° | 120.0° |
| C25 | C35 | C26 | C29 | 115.0° | 120.0° |
| C25 | C35 | C26 | H35 | 124.9° | 120.0° |
| C25 | C35 | C26 | H26 | 180.0° | 71.0° |
| C25 | C35 | C26 | H26A | 60.0° | 168.9° |
| C25 | C35 | C26 | H26B | 60.0° | 48.9° |
| C25 | C35 | C29 | H35 | 124.9° | 120.0° |
| C25 | C35 | C29 | H29 | 62.0° | 52.7° |
| C25 | C35 | C29 | H29A | 58.0° | 67.3° |
| H25 | C25 | H25A | H25B | 120.0° | 120.0° |
| H25 | C25 | C35 | C26 | 180.0° | 60.0° |
| H25 | C25 | C35 | C29 | 59.3° | 180.0° |
| H25 | C25 | C35 | H35 | 60.2° | 60.0° |
| H25A | C25 | C35 | C26 | 60.0° | 180.0° |
| H25A | C25 | C35 | C29 | 60.7° | 60.0° |
| H25A | C25 | C35 | H35 | 179.8° | 60.0° |
| H25B | C25 | C35 | C26 | 60.0° | 60.0° |
| H25B | C25 | C35 | C29 | 179.3° | 60.0° |
| H25B | C25 | C35 | H35 | 59.8° | 180.0° |
| C35 | C26 | H26 | H26A | 120.0° | 120.1° |
| C35 | C26 | H26 | H26B | 120.0° | 120.0° |
| C35 | C26 | H26A | H26B | 120.0° | 120.0° |
| C26 | C35 | C29 | H35 | 120.3° | 120.0° |
| C26 | C35 | C29 | H29 | 176.7° | 172.7° |
| C26 | C35 | C29 | H29A | 56.8° | 52.7° |
| H26 | C26 | H26A | H26B | 120.0° | 120.0° |
| H26 | C26 | C35 | C29 | 65.0° | 49.0° |
| H26 | C26 | C35 | H35 | 55.1° | 169.0° |
| H26A | C26 | C35 | C29 | 175.0° | 71.1° |
| H26A | C26 | C35 | H35 | 64.9° | 48.9° |
| H26B | C26 | C35 | C29 | 55.0° | 168.9° |
| H26B | C26 | C35 | H35 | 175.1° | 71.1° |
| C31 | C27 | H27 | H27A | 120.6° | 120.0° |
| C27 | C31 | C33 | H31 | 120.0° | 120.0° |
| C27 | C31 | C33 | H31A | 120.0° | 120.0° |
| C27 | C31 | H31 | H31A | 119.0° | 120.0° |
| C27 | C31 | C33 | N38 | 61.4° | 65.0° |
| C27 | C31 | C33 | H33 | 53.0° | 55.0° |
| H27 | C27 | C31 | C33 | 63.7° | 60.0° |
| H27 | C27 | C31 | H31 | 176.3° | 179.9° |
| H27 | C27 | C31 | H31A | 56.3° | 60.0° |
| H27A | C27 | C31 | C33 | 56.3° | 59.9° |
| H27A | C27 | C31 | H31 | 63.7° | 60.0° |
| H27A | C27 | C31 | H31A | 176.3° | 179.9° |
| C36 | C28 | H28 | H28A | 118.5° | 119.9° |
| C28 | C36 | C34 | N40 | 120.2° | 120.0° |
| C28 | C36 | C34 | H36 | 119.8° | 120.1° |
| C28 | C36 | C34 | O44 | 41.3° | 55.0° |
| C28 | C36 | C34 | H34 | 78.8° | 175.0° |
| C28 | C36 | N40 | H36 | 119.9° | 120.0° |
| C28 | C36 | N40 | HN40 | 39.3° | 83.1° |
| H28 | C28 | C36 | C34 | 69.0° | 56.5° |
| H28 | C28 | C36 | N40 | 173.5° | 176.5° |
| H28 | C28 | C36 | H36 | 53.4° | 63.5° |
| H28A | C28 | C36 | C34 | 51.0° | 63.4° |
| H28A | C28 | C36 | N40 | 66.5° | 56.6° |
| H28A | C28 | C36 | H36 | 173.4° | 176.5° |
| C35 | C29 | H29 | H29A | 114.8° | 120.0° |
| H29 | C29 | C35 | H35 | 63.0° | 67.3° |
| H29A | C29 | C35 | H35 | 177.0° | 172.7° |
| C32 | C30 | H30 | H30A | 120.2° | 120.0° |
| C30 | C32 | O45 | H32 | 120.0° | 120.0° |
| C30 | C32 | O45 | H32A | 120.0° | 120.0° |
| C30 | C32 | H32 | H32A | 119.9° | 120.0° |
| H30 | C30 | C32 | O45 | 50.9° | 60.0° |
| H30 | C30 | C32 | H32 | 69.1° | 180.0° |
| H30 | C30 | C32 | H32A | 170.9° | 60.0° |
| H30A | C30 | C32 | O45 | 170.9° | 60.0° |
| H30A | C30 | C32 | H32 | 50.9° | 60.1° |
| H30A | C30 | C32 | H32A | 69.1° | 180.0° |
| C33 | C31 | H31 | H31A | 119.0° | 120.0° |
| C31 | C33 | N38 | H33 | 117.4° | 120.0° |
| H31 | C31 | C33 | N38 | 178.6° | 175.0° |
| H31 | C31 | C33 | H33 | 67.0° | 65.0° |
| H31A | C31 | C33 | N38 | 58.6° | 55.0° |
| H31A | C31 | C33 | H33 | 173.1° | 175.0° |
| O45 | C32 | H32 | H32A | 119.8° | 119.9° |
| C36 | C34 | O44 | H34 | 117.9° | 120.0° |
| C34 | C36 | N40 | H36 | 122.4° | 120.0° |
| C34 | C36 | N40 | HN40 | 78.3° | 36.9° |
| C36 | C34 | O44 | HO44 | 54.6° | 60.1° |
| O44 | C34 | C36 | N40 | 161.5° | 65.0° |
| O44 | C34 | C36 | H36 | 78.5° | 175.1° |
| H34 | C34 | C36 | N40 | 41.4° | 55.0° |
| H34 | C34 | C36 | H36 | 161.4° | 65.0° |
| H34 | C34 | O44 | HO44 | 63.3° | 180.0° |
| H36 | C36 | N40 | HN40 | 159.2° | 156.9° |
