3PJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C12 | sing | 1.35Å | 1.34Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N1 | HN1A | sing | 0.97Å | 1.00Å | |
| CAV | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | CBV | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| CBW | C4 | sing | 1.48Å | 1.50Å | |
| C4 | CAV | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | CBV | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| CBZ | C8 | sing | 1.53Å | 1.52Å | |
| F22 | C8 | sing | 1.40Å | 1.34Å | |
| C8 | F21 | sing | 1.40Å | 1.31Å | |
| C8 | F23 | sing | 1.40Å | 1.33Å | |
| C12 | C10 | sing | 1.51Å | 1.50Å | |
| C10 | C32 | sing | 1.53Å | 1.52Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| CBZ | O10 | sing | 1.43Å | 1.43Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| C12 | OAI | doub | 1.21Å | 1.24Å | |
| C15 | N12 | sing | 1.47Å | 1.48Å | |
| CBW | N12 | sing | 1.35Å | 1.42Å | |
| N12 | C14 | sing | 1.46Å | 1.50Å | |
| O13 | CBW | doub | 1.22Å | 1.23Å | |
| C16 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C20 | sing | 1.53Å | 1.54Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | C15 | sing | 1.53Å | 1.53Å | |
| C25 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C32 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C26 | sing | 1.51Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| 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 | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| 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 | CAW | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| CAW | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| CAV | HAV | sing | 1.08Å | 1.08Å | |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| CBU | CBZ | sing | 1.53Å | 1.53Å | |
| CBU | HBU | sing | 1.09Å | 1.10Å | |
| CBU | HBUA | sing | 1.09Å | 1.10Å | |
| CBU | HBUB | sing | 1.09Å | 1.10Å | |
| CBV | CBZ | sing | 1.51Å | 1.51Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | N1 | HN1 | 120.0° | 120.0° |
| C12 | N1 | HN1A | 120.0° | 120.1° |
| N1 | C12 | C10 | 114.6° | 120.0° |
| N1 | C12 | OAI | 124.7° | 120.0° |
| HN1 | N1 | HN1A | 120.0° | 120.0° |
| CAV | C2 | CBV | 119.9° | 120.2° |
| CAV | C2 | H2 | 120.0° | 119.9° |
| C2 | CAV | C4 | 119.4° | 119.8° |
| C2 | CAV | HAV | 120.3° | 120.1° |
| CBV | C2 | H2 | 120.0° | 119.9° |
| C2 | CBV | C6 | 119.3° | 120.3° |
| C2 | CBV | CBZ | 121.7° | 119.9° |
| CBW | C4 | CAV | 120.7° | 120.1° |
| CBW | C4 | C5 | 118.3° | 120.2° |
| C4 | CBW | N12 | 120.2° | 120.0° |
| C4 | CBW | O13 | 116.5° | 120.0° |
| CAV | C4 | C5 | 120.9° | 119.7° |
| C4 | CAV | HAV | 120.3° | 120.1° |
| C4 | C5 | C6 | 119.3° | 119.9° |
| C4 | C5 | H5 | 120.4° | 120.1° |
| C6 | C5 | H5 | 120.3° | 120.1° |
| C5 | C6 | CBV | 121.1° | 120.1° |
| C5 | C6 | H6 | 119.5° | 119.9° |
| CBV | C6 | H6 | 119.4° | 119.9° |
| C6 | CBV | CBZ | 119.1° | 119.8° |
| CBZ | C8 | F22 | 113.1° | 109.5° |
| CBZ | C8 | F21 | 107.2° | 109.4° |
| CBZ | C8 | F23 | 106.9° | 109.4° |
| C8 | CBZ | O10 | 107.7° | 109.5° |
| C8 | CBZ | CBU | 110.1° | 109.5° |
| C8 | CBZ | CBV | 110.8° | 109.5° |
| F22 | C8 | F21 | 109.2° | 109.5° |
| F22 | C8 | F23 | 110.6° | 109.5° |
| F21 | C8 | F23 | 109.7° | 109.5° |
| C12 | C10 | C32 | 108.7° | 109.4° |
| C12 | C10 | H10 | 109.8° | 109.4° |
| C12 | C10 | H10A | 109.7° | 109.5° |
| C10 | C12 | OAI | 120.8° | 120.0° |
| C32 | C10 | H10 | 109.7° | 109.5° |
| C32 | C10 | H10A | 109.7° | 109.5° |
| C10 | C32 | C18 | 113.0° | 109.4° |
| C10 | C32 | H32 | 108.3° | 109.4° |
| C10 | C32 | H32A | 108.3° | 109.5° |
| H10 | C10 | H10A | 109.2° | 109.5° |
| CBZ | O10 | HO10 | 109.5° | 114.0° |
| O10 | CBZ | CBU | 108.5° | 109.5° |
| O10 | CBZ | CBV | 107.3° | 109.5° |
| C15 | N12 | CBW | 114.3° | 120.0° |
| C15 | N12 | C14 | 118.8° | 120.0° |
| N12 | C15 | C24 | 107.4° | 117.5° |
| N12 | C15 | C25 | 110.7° | 117.5° |
| N12 | C15 | H15 | 102.1° | 115.5° |
| CBW | N12 | C14 | 113.6° | 120.0° |
| N12 | CBW | O13 | 123.2° | 120.0° |
| N12 | C14 | C16 | 116.6° | 109.5° |
| N12 | C14 | C20 | 105.7° | 109.5° |
| N12 | C14 | H14 | 107.1° | 109.5° |
| C16 | C14 | C20 | 109.0° | 109.5° |
| C16 | C14 | H14 | 103.7° | 109.4° |
| C14 | C16 | C17 | 113.4° | 109.5° |
| C14 | C16 | H16 | 108.2° | 109.5° |
| C14 | C16 | H16A | 108.2° | 109.4° |
| C20 | C14 | H14 | 115.0° | 109.5° |
| C14 | C20 | C19 | 111.3° | 109.5° |
| C14 | C20 | H20 | 108.9° | 109.4° |
| C14 | C20 | H20A | 108.9° | 109.5° |
| C24 | C15 | C25 | 59.3° | 60.0° |
| C24 | C15 | H15 | 137.3° | 117.5° |
| C15 | C24 | C25 | 60.4° | 60.0° |
| C15 | C24 | H24 | 130.7° | 117.5° |
| C15 | C24 | H24A | 130.6° | 117.5° |
| C25 | C15 | H15 | 134.5° | 117.5° |
| C15 | C25 | C24 | 60.2° | 60.0° |
| C15 | C25 | H25 | 130.8° | 117.5° |
| C15 | C25 | H25A | 130.8° | 117.5° |
| C17 | C16 | H16 | 108.2° | 109.5° |
| C17 | C16 | H16A | 108.2° | 109.5° |
| C16 | C17 | C18 | 113.8° | 109.5° |
| C16 | C17 | H17 | 108.0° | 109.5° |
| C16 | C17 | H17A | 108.0° | 109.4° |
| H16 | C16 | H16A | 110.7° | 109.5° |
| C18 | C17 | H17 | 108.1° | 109.5° |
| C18 | C17 | H17A | 108.0° | 109.5° |
| C17 | C18 | C32 | 112.2° | 109.5° |
| C17 | C18 | C19 | 108.5° | 109.4° |
| C17 | C18 | C26 | 111.0° | 109.5° |
| H17 | C17 | H17A | 110.9° | 109.5° |
| C32 | C18 | C19 | 108.1° | 109.5° |
| C32 | C18 | C26 | 109.5° | 109.5° |
| C18 | C32 | H32 | 108.3° | 109.5° |
| C18 | C32 | H32A | 108.3° | 109.5° |
| C19 | C18 | C26 | 107.4° | 109.5° |
| C18 | C19 | C20 | 111.9° | 109.5° |
| C18 | C19 | H19 | 108.7° | 109.5° |
| C18 | C19 | H19A | 108.7° | 109.4° |
| C18 | C26 | CAW | 121.7° | 120.0° |
| C18 | C26 | C27 | 120.8° | 120.0° |
| C20 | C19 | H19 | 108.7° | 109.5° |
| C20 | C19 | H19A | 108.7° | 109.5° |
| C19 | C20 | H20 | 108.9° | 109.5° |
| C19 | C20 | H20A | 108.9° | 109.5° |
| H19 | C19 | H19A | 110.3° | 109.4° |
| H20 | C20 | H20A | 110.1° | 109.5° |
| C25 | C24 | H24 | 130.6° | 117.5° |
| C25 | C24 | H24A | 130.6° | 117.5° |
| C24 | C25 | H25 | 130.8° | 117.5° |
| C24 | C25 | H25A | 130.7° | 117.5° |
| H24 | C24 | H24A | 82.2° | 115.6° |
| H25 | C25 | H25A | 82.0° | 115.5° |
| CAW | C26 | C27 | 117.5° | 120.0° |
| C26 | CAW | C30 | 121.0° | 120.0° |
| C26 | CAW | HAW | 119.5° | 120.0° |
| C26 | C27 | C28 | 121.5° | 120.0° |
| C26 | C27 | H27 | 119.3° | 120.0° |
| C28 | C27 | H27 | 119.2° | 120.0° |
| C27 | C28 | C29 | 120.3° | 120.0° |
| C27 | C28 | H28 | 119.9° | 120.0° |
| C29 | C28 | H28 | 119.9° | 120.0° |
| C28 | C29 | C30 | 118.7° | 120.0° |
| C28 | C29 | H29 | 120.6° | 120.0° |
| C30 | C29 | H29 | 120.6° | 120.0° |
| C29 | C30 | CAW | 121.1° | 120.0° |
| C29 | C30 | H30 | 119.5° | 120.0° |
| CAW | C30 | H30 | 119.5° | 120.0° |
| C30 | CAW | HAW | 119.5° | 120.0° |
| H32 | C32 | H32A | 110.6° | 109.5° |
| CBZ | CBU | HBU | 109.5° | 109.5° |
| CBZ | CBU | HBUA | 109.4° | 109.4° |
| CBZ | CBU | HBUB | 109.5° | 109.5° |
| CBU | CBZ | CBV | 112.2° | 109.4° |
| HBU | CBU | HBUA | 109.5° | 109.5° |
| HBU | CBU | HBUB | 109.4° | 109.5° |
| HBUA | CBU | HBUB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | N1 | HN1 | HN1A | 180.0° | 179.8° |
| N1 | C12 | C10 | OAI | 179.2° | 180.0° |
| N1 | C12 | C10 | C32 | 179.7° | 179.6° |
| N1 | C12 | C10 | H10 | 59.7° | 60.4° |
| N1 | C12 | C10 | H10A | 60.3° | 59.6° |
| HN1 | N1 | C12 | C10 | 179.2° | 5.0° |
| HN1 | N1 | C12 | OAI | 0.0° | 175.0° |
| HN1A | N1 | C12 | C10 | 0.9° | 174.7° |
| HN1A | N1 | C12 | OAI | 180.0° | 5.2° |
| CAV | C2 | CBV | H2 | 180.0° | 179.7° |
| C2 | CAV | C4 | CBW | 178.4° | 180.0° |
| C2 | CAV | C4 | HAV | 180.0° | 179.9° |
| C2 | CAV | C4 | C5 | 1.4° | 0.1° |
| CAV | C2 | CBV | C6 | 0.1° | 0.3° |
| CAV | C2 | CBV | CBZ | 179.8° | 179.7° |
| CBV | C2 | CAV | C4 | 0.6° | 0.1° |
| C2 | CBV | C6 | C5 | 0.3° | 0.5° |
| C2 | CBV | C6 | CBZ | 179.9° | 179.9° |
| C2 | CBV | C6 | H6 | 179.7° | 180.0° |
| C2 | CBV | CBZ | C8 | 78.3° | 54.7° |
| C2 | CBV | CBZ | O10 | 164.4° | 65.4° |
| CBV | C2 | CAV | HAV | 179.3° | 179.9° |
| C2 | CBV | CBZ | CBU | 45.3° | 174.7° |
| H2 | C2 | CAV | C4 | 179.4° | 179.7° |
| H2 | C2 | CBV | C6 | 179.9° | 179.9° |
| H2 | C2 | CAV | HAV | 0.7° | 0.4° |
| H2 | C2 | CBV | CBZ | 0.2° | 0.0° |
| CBW | C4 | CAV | C5 | 177.0° | 179.9° |
| CBW | C4 | C5 | C6 | 178.6° | 179.8° |
| CBW | C4 | C5 | H5 | 1.4° | 0.0° |
| C4 | CBW | N12 | C15 | 177.3° | 151.2° |
| C4 | CBW | N12 | O13 | 174.9° | 179.9° |
| C4 | CBW | N12 | C14 | 36.6° | 28.8° |
| CBW | C4 | CAV | HAV | 1.6° | 0.1° |
| CAV | C4 | C5 | C6 | 1.5° | 0.3° |
| CAV | C4 | C5 | H5 | 178.5° | 180.0° |
| CAV | C4 | CBW | N12 | 114.8° | 62.7° |
| CAV | C4 | CBW | O13 | 70.0° | 117.4° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C4 | C5 | C6 | CBV | 1.0° | 0.5° |
| C4 | C5 | C6 | H6 | 179.0° | 180.0° |
| C5 | C4 | CBW | N12 | 68.1° | 117.3° |
| C5 | C4 | CBW | O13 | 107.2° | 62.7° |
| C5 | C4 | CAV | HAV | 178.6° | 179.9° |
| C5 | C6 | CBV | H6 | 180.0° | 179.6° |
| C5 | C6 | CBV | CBZ | 179.6° | 179.5° |
| H5 | C5 | C6 | CBV | 179.0° | 179.8° |
| H5 | C5 | C6 | H6 | 1.0° | 0.2° |
| C6 | CBV | CBZ | C8 | 101.7° | 125.3° |
| C6 | CBV | CBZ | O10 | 15.6° | 114.7° |
| C6 | CBV | CBZ | CBU | 134.7° | 5.3° |
| H6 | C6 | CBV | CBZ | 0.4° | 0.1° |
| CBZ | C8 | F22 | F21 | 119.3° | 120.0° |
| CBZ | C8 | F22 | F23 | 119.9° | 120.0° |
| CBZ | C8 | F21 | F23 | 115.8° | 119.9° |
| C8 | CBZ | O10 | CBU | 119.2° | 120.1° |
| C8 | CBZ | O10 | CBV | 119.4° | 120.0° |
| C8 | CBZ | O10 | HO10 | 180.0° | 60.0° |
| C8 | CBZ | CBU | CBV | 124.0° | 120.0° |
| C8 | CBZ | CBU | HBU | 180.0° | 58.4° |
| C8 | CBZ | CBU | HBUA | 60.0° | 61.5° |
| C8 | CBZ | CBU | HBUB | 60.0° | 178.5° |
| F22 | C8 | F21 | F23 | 121.4° | 120.1° |
| F22 | C8 | CBZ | O10 | 179.4° | 60.0° |
| F22 | C8 | CBZ | CBU | 61.4° | 60.0° |
| F22 | C8 | CBZ | CBV | 63.4° | 180.0° |
| F21 | C8 | CBZ | O10 | 60.2° | 180.0° |
| F21 | C8 | CBZ | CBU | 178.3° | 60.0° |
| F21 | C8 | CBZ | CBV | 56.9° | 60.0° |
| F23 | C8 | CBZ | O10 | 57.5° | 60.0° |
| F23 | C8 | CBZ | CBU | 60.6° | 180.0° |
| F23 | C8 | CBZ | CBV | 174.6° | 60.0° |
| C12 | C10 | C32 | H10 | 120.0° | 119.9° |
| C12 | C10 | C32 | H10A | 120.0° | 120.0° |
| C12 | C10 | H10 | H10A | 120.3° | 120.0° |
| C12 | C10 | C32 | C18 | 164.9° | 178.2° |
| C12 | C10 | C32 | H32 | 44.9° | 58.2° |
| C12 | C10 | C32 | H32A | 75.1° | 61.8° |
| C32 | C10 | H10 | H10A | 120.3° | 120.1° |
| C32 | C10 | C12 | OAI | 0.5° | 0.4° |
| C10 | C32 | C18 | C17 | 71.9° | 165.8° |
| C10 | C32 | C18 | H32 | 120.0° | 120.0° |
| C10 | C32 | C18 | H32A | 120.0° | 120.0° |
| C10 | C32 | C18 | C19 | 168.5° | 45.8° |
| C10 | C32 | C18 | C26 | 51.8° | 74.2° |
| C10 | C32 | H32 | H32A | 118.6° | 120.0° |
| H10 | C10 | C12 | OAI | 119.5° | 119.5° |
| H10 | C10 | C32 | C18 | 75.1° | 61.8° |
| H10 | C10 | C32 | H32 | 165.0° | 178.1° |
| H10 | C10 | C32 | H32A | 45.0° | 58.1° |
| H10A | C10 | C12 | OAI | 120.5° | 120.4° |
| H10A | C10 | C32 | C18 | 44.9° | 58.2° |
| H10A | C10 | C32 | H32 | 75.1° | 61.8° |
| H10A | C10 | C32 | H32A | 165.0° | 178.2° |
| O10 | CBZ | CBU | CBV | 118.4° | 119.9° |
| O10 | CBZ | CBU | HBU | 62.4° | 178.5° |
| O10 | CBZ | CBU | HBUA | 177.6° | 58.5° |
| O10 | CBZ | CBU | HBUB | 57.6° | 61.5° |
| HO10 | O10 | CBZ | CBU | 60.9° | 180.0° |
| HO10 | O10 | CBZ | CBV | 60.6° | 60.0° |
| C15 | N12 | CBW | C14 | 140.8° | 180.0° |
| C15 | N12 | CBW | O13 | 7.8° | 28.8° |
| C15 | N12 | C14 | C16 | 20.0° | 157.0° |
| C15 | N12 | C14 | C20 | 101.3° | 82.9° |
| C15 | N12 | C14 | H14 | 135.6° | 37.1° |
| N12 | C15 | C24 | C25 | 104.2° | 107.5° |
| N12 | C15 | C24 | H15 | 131.7° | 144.9° |
| N12 | C15 | C25 | H15 | 133.5° | 145.0° |
| N12 | C15 | C24 | H24 | 135.8° | 145.0° |
| N12 | C15 | C24 | H24A | 15.8° | 0.0° |
| N12 | C15 | C25 | H25 | 21.5° | 0.1° |
| N12 | C15 | C25 | H25A | 141.5° | 145.0° |
| CBW | N12 | C14 | C16 | 118.9° | 23.0° |
| CBW | N12 | C14 | C20 | 119.8° | 97.1° |
| CBW | N12 | C14 | H14 | 3.3° | 142.9° |
| CBW | N12 | C15 | C24 | 76.0° | 54.8° |
| CBW | N12 | C15 | C25 | 139.1° | 13.9° |
| CBW | N12 | C15 | H15 | 72.8° | 159.6° |
| C14 | N12 | CBW | O13 | 148.6° | 151.2° |
| N12 | C14 | C16 | C20 | 119.6° | 120.1° |
| N12 | C14 | C16 | H14 | 117.5° | 119.9° |
| N12 | C14 | C20 | H14 | 118.0° | 120.0° |
| C14 | N12 | C15 | C24 | 145.4° | 125.2° |
| C14 | N12 | C15 | C25 | 82.3° | 166.1° |
| C14 | N12 | C15 | H15 | 65.8° | 20.4° |
| N12 | C14 | C16 | C17 | 171.9° | 180.0° |
| N12 | C14 | C16 | H16 | 68.1° | 60.0° |
| N12 | C14 | C16 | H16A | 51.9° | 60.1° |
| N12 | C14 | C20 | C19 | 177.2° | 180.0° |
| N12 | C14 | C20 | H20 | 62.9° | 60.0° |
| N12 | C14 | C20 | H20A | 57.1° | 60.0° |
| C16 | C14 | C20 | H14 | 115.9° | 120.0° |
| C14 | C16 | C17 | H16 | 120.0° | 120.0° |
| C14 | C16 | C17 | H16A | 120.0° | 119.9° |
| C14 | C16 | H16 | H16A | 118.4° | 120.0° |
| C14 | C16 | C17 | C18 | 51.8° | 60.0° |
| C14 | C16 | C17 | H17 | 68.2° | 60.1° |
| C14 | C16 | C17 | H17A | 171.8° | 180.0° |
| C16 | C14 | C20 | C19 | 56.7° | 60.0° |
| C16 | C14 | C20 | H20 | 63.3° | 60.0° |
| C16 | C14 | C20 | H20A | 176.7° | 180.0° |
| C20 | C14 | C16 | C17 | 52.3° | 60.0° |
| C20 | C14 | C16 | H16 | 172.3° | 180.0° |
| C20 | C14 | C16 | H16A | 67.7° | 60.0° |
| C14 | C20 | C19 | C18 | 61.1° | 60.0° |
| C14 | C20 | C19 | H20 | 120.0° | 120.0° |
| C14 | C20 | C19 | H20A | 120.0° | 120.0° |
| C14 | C20 | C19 | H19 | 58.9° | 60.0° |
| C14 | C20 | C19 | H19A | 178.9° | 180.0° |
| C14 | C20 | H20 | H20A | 119.3° | 120.0° |
| H14 | C14 | C16 | C17 | 70.7° | 60.0° |
| H14 | C14 | C16 | H16 | 49.4° | 60.0° |
| H14 | C14 | C16 | H16A | 169.3° | 180.0° |
| H14 | C14 | C20 | C19 | 59.2° | 60.0° |
| H14 | C14 | C20 | H20 | 179.2° | 180.0° |
| H14 | C14 | C20 | H20A | 60.8° | 60.0° |
| C24 | C15 | C25 | H15 | 128.0° | 107.5° |
| C15 | C24 | C25 | H24 | 120.0° | 107.5° |
| C15 | C24 | C25 | H24A | 120.0° | 107.4° |
| C15 | C24 | H24 | H24A | 138.5° | 145.7° |
| C15 | C24 | C25 | H25 | 120.0° | 107.5° |
| C15 | C24 | C25 | H25A | 120.0° | 107.5° |
| C15 | C25 | H25 | H25A | 138.5° | 145.8° |
| H15 | C15 | C24 | H24 | 4.1° | 0.0° |
| H15 | C15 | C24 | H24A | 115.9° | 145.0° |
| H15 | C15 | C25 | H25 | 112.0° | 145.1° |
| H15 | C15 | C25 | H25A | 8.0° | 0.0° |
| C17 | C16 | H16 | H16A | 118.4° | 120.0° |
| C16 | C17 | C18 | H17 | 120.0° | 120.0° |
| C16 | C17 | C18 | H17A | 120.0° | 119.9° |
| C16 | C17 | H17 | H17A | 118.2° | 119.9° |
| C16 | C17 | C18 | C32 | 67.4° | 60.0° |
| C16 | C17 | C18 | C19 | 51.9° | 60.0° |
| C16 | C17 | C18 | C26 | 169.6° | 180.0° |
| H16 | C16 | C17 | C18 | 171.8° | 180.0° |
| H16 | C16 | C17 | H17 | 51.8° | 59.9° |
| H16 | C16 | C17 | H17A | 68.2° | 60.0° |
| H16A | C16 | C17 | C18 | 68.2° | 59.9° |
| H16A | C16 | C17 | H17 | 171.8° | NaN° |
| H16A | C16 | C17 | H17A | 51.8° | 60.0° |
| C18 | C17 | H17 | H17A | 118.2° | 120.0° |
| C17 | C18 | C32 | C19 | 119.6° | 120.0° |
| C17 | C18 | C32 | C26 | 123.8° | 120.0° |
| C17 | C18 | C19 | C26 | 120.1° | 120.0° |
| C17 | C18 | C19 | C20 | 56.4° | 60.0° |
| C17 | C18 | C19 | H19 | 63.6° | 60.0° |
| C17 | C18 | C19 | H19A | 176.4° | 180.0° |
| C17 | C18 | C26 | CAW | 12.5° | 67.6° |
| C17 | C18 | C26 | C27 | 166.9° | 112.7° |
| C17 | C18 | C32 | H32 | 168.1° | 45.8° |
| C17 | C18 | C32 | H32A | 48.1° | 74.3° |
| H17 | C17 | C18 | C32 | 172.6° | 180.0° |
| H17 | C17 | C18 | C19 | 68.1° | 60.0° |
| H17 | C17 | C18 | C26 | 49.6° | 60.0° |
| H17A | C17 | C18 | C32 | 52.6° | 60.0° |
| H17A | C17 | C18 | C19 | 171.9° | 180.0° |
| H17A | C17 | C18 | C26 | 70.4° | 60.1° |
| C32 | C18 | C19 | C26 | 118.0° | 120.0° |
| C32 | C18 | C19 | C20 | 65.5° | 60.0° |
| C32 | C18 | C19 | H19 | 174.5° | 180.0° |
| C32 | C18 | C19 | H19A | 54.5° | 60.1° |
| C32 | C18 | C26 | CAW | 112.0° | 172.4° |
| C32 | C18 | C26 | C27 | 68.6° | 7.3° |
| C18 | C32 | H32 | H32A | 118.6° | 120.0° |
| C18 | C19 | C20 | H19 | 120.0° | 120.1° |
| C18 | C19 | C20 | H19A | 120.0° | 120.0° |
| C18 | C19 | H19 | H19A | 119.0° | 120.0° |
| C18 | C19 | C20 | H20 | 58.9° | 60.0° |
| C18 | C19 | C20 | H20A | 178.9° | 180.0° |
| C19 | C18 | C26 | CAW | 130.9° | 52.4° |
| C19 | C18 | C26 | C27 | 48.5° | 127.3° |
| C19 | C18 | C32 | H32 | 48.5° | 74.2° |
| C19 | C18 | C32 | H32A | 71.5° | 165.8° |
| C26 | C18 | C19 | C20 | 176.5° | 180.0° |
| C26 | C18 | C19 | H19 | 56.5° | 60.0° |
| C26 | C18 | C19 | H19A | 63.5° | 60.0° |
| C18 | C26 | CAW | C27 | 179.4° | 179.7° |
| C18 | C26 | C27 | C28 | 179.8° | 179.9° |
| C18 | C26 | C27 | H27 | 0.2° | 0.1° |
| C18 | C26 | CAW | C30 | 179.8° | 179.7° |
| C26 | C18 | C32 | H32 | 68.1° | 165.8° |
| C26 | C18 | C32 | H32A | 171.9° | 45.7° |
| C18 | C26 | CAW | HAW | 0.2° | 0.0° |
| C20 | C19 | H19 | H19A | 119.0° | 120.0° |
| C19 | C20 | H20 | H20A | 119.3° | 120.0° |
| H19 | C19 | C20 | H20 | 178.9° | 180.0° |
| H19 | C19 | C20 | H20A | 61.1° | 60.0° |
| H19A | C19 | C20 | H20 | 61.1° | 60.0° |
| H19A | C19 | C20 | H20A | 58.9° | 60.0° |
| C25 | C24 | H24 | H24A | 138.4° | 145.7° |
| C24 | C25 | H25 | H25A | 138.5° | 145.6° |
| H24 | C24 | C25 | H25 | 120.0° | 145.0° |
| H24 | C24 | C25 | H25A | 0.0° | 0.0° |
| H24A | C24 | C25 | H25 | 0.0° | 0.1° |
| H24A | C24 | C25 | H25A | 120.0° | 145.0° |
| CAW | C26 | C27 | C28 | 0.5° | 0.3° |
| CAW | C26 | C27 | H27 | 179.6° | 179.8° |
| C26 | CAW | C30 | C29 | 0.4° | 0.5° |
| C26 | CAW | C30 | HAW | 180.0° | 179.7° |
| C26 | CAW | C30 | H30 | 179.6° | 179.7° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.4° | 0.1° |
| C26 | C27 | C28 | H28 | 179.6° | 180.0° |
| C27 | C26 | CAW | C30 | 0.4° | 0.5° |
| C27 | C26 | CAW | HAW | 179.5° | 179.7° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.3° | 0.0° |
| C27 | C28 | C29 | H29 | 179.7° | 179.9° |
| H27 | C27 | C28 | C29 | 179.6° | 180.0° |
| H27 | C27 | C28 | H28 | 0.4° | 0.1° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | CAW | 0.3° | 0.2° |
| C28 | C29 | C30 | H30 | 179.6° | 180.0° |
| H28 | C28 | C29 | C30 | 179.7° | 180.0° |
| H28 | C28 | C29 | H29 | 0.4° | 0.0° |
| C29 | C30 | CAW | H30 | 180.0° | 179.8° |
| C29 | C30 | CAW | HAW | 179.6° | 179.8° |
| H29 | C29 | C30 | CAW | 179.7° | 179.7° |
| H29 | C29 | C30 | H30 | 0.4° | 0.1° |
| H30 | C30 | CAW | HAW | 0.4° | 0.0° |
| CBZ | CBU | HBU | HBUA | 120.0° | 119.9° |
| CBZ | CBU | HBU | HBUB | 120.0° | 120.0° |
| CBZ | CBU | HBUA | HBUB | 120.0° | 120.0° |
| HBU | CBU | HBUA | HBUB | 120.0° | 120.0° |
| HBU | CBU | CBZ | CBV | 56.0° | 61.6° |
| HBUA | CBU | CBZ | CBV | 64.0° | 178.5° |
| HBUB | CBU | CBZ | CBV | 176.0° | 58.5° |
