NJQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.55Å | |
| C1 | C15 | sing | 1.51Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C3 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C9 | sing | 1.47Å | 1.58Å | |
| C4 | C5 | doub | 1.40Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | N8 | sing | 1.39Å | 1.36Å | |
| N8 | C28 | sing | 1.35Å | 1.33Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| O10 | C9 | doub | 1.21Å | 1.24Å | |
| C9 | O11 | sing | 1.35Å | 1.25Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| C20 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C28 | C30 | sing | 1.48Å | 1.53Å | |
| C28 | O29 | doub | 1.21Å | 1.23Å | |
| N36 | C30 | doub | 1.33Å | 1.35Å | Aromatic |
| C30 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C32 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | C34 | doub | 1.39Å | 1.41Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | C35 | sing | 1.51Å | 1.54Å | |
| N36 | C35 | sing | 1.31Å | 1.35Å | Aromatic |
| C41 | C37 | sing | 1.53Å | 1.53Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C45 | C41 | sing | 1.53Å | 1.49Å | |
| C41 | C44 | sing | 1.53Å | 1.53Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C57 | C44 | sing | 1.53Å | 1.56Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C48 | C45 | sing | 1.53Å | 1.54Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C47 | C48 | sing | 1.53Å | 1.52Å | |
| C47 | C57 | sing | 1.53Å | 1.51Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H48A | sing | 1.09Å | 1.10Å | |
| C57 | H57 | sing | 1.09Å | 1.10Å | |
| C57 | H57A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C15 | 113.3° | 109.5° |
| C2 | C1 | H1 | 108.2° | 109.5° |
| C2 | C1 | H1A | 108.2° | 109.5° |
| C1 | C2 | C3 | 116.0° | 120.0° |
| C1 | C2 | C7 | 123.7° | 120.0° |
| C15 | C1 | H1 | 108.2° | 109.5° |
| C15 | C1 | H1A | 108.2° | 109.4° |
| C1 | C15 | C20 | 118.4° | 120.0° |
| C1 | C15 | C21 | 122.9° | 119.9° |
| H1 | C1 | H1A | 110.7° | 109.5° |
| C3 | C2 | C7 | 120.3° | 120.0° |
| C2 | C3 | C4 | 121.3° | 120.0° |
| C2 | C3 | H3 | 119.4° | 120.0° |
| C2 | C7 | C6 | 118.6° | 120.2° |
| C2 | C7 | N8 | 119.6° | 119.9° |
| C4 | C3 | H3 | 119.4° | 120.0° |
| C3 | C4 | C9 | 122.6° | 120.1° |
| C3 | C4 | C5 | 118.0° | 119.8° |
| C9 | C4 | C5 | 119.4° | 120.1° |
| C4 | C9 | O10 | 119.2° | 120.0° |
| C4 | C9 | O11 | 117.4° | 120.0° |
| C4 | C5 | C6 | 121.8° | 120.0° |
| C4 | C5 | H5 | 119.1° | 120.0° |
| C6 | C5 | H5 | 119.1° | 120.1° |
| C5 | C6 | C7 | 120.1° | 120.0° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| C7 | C6 | H6 | 120.0° | 120.0° |
| C6 | C7 | N8 | 121.8° | 119.9° |
| C7 | N8 | C28 | 131.3° | 120.0° |
| C7 | N8 | HN8 | 114.3° | 120.0° |
| C28 | N8 | HN8 | 114.4° | 120.0° |
| N8 | C28 | C30 | 112.6° | 120.0° |
| N8 | C28 | O29 | 127.1° | 120.0° |
| O10 | C9 | O11 | 123.4° | 120.0° |
| C9 | O11 | HO11 | 109.5° | 117.0° |
| C20 | C15 | C21 | 118.6° | 120.0° |
| C15 | C20 | C19 | 118.6° | 120.0° |
| C15 | C20 | H20 | 120.7° | 120.0° |
| C15 | C21 | C22 | 123.4° | 120.0° |
| C15 | C21 | H21 | 118.3° | 120.1° |
| C19 | C18 | C22 | 118.6° | 120.1° |
| C19 | C18 | H18 | 120.7° | 120.0° |
| C18 | C19 | C20 | 123.0° | 120.0° |
| C18 | C19 | H19 | 118.5° | 120.1° |
| C22 | C18 | H18 | 120.7° | 120.0° |
| C18 | C22 | C21 | 117.7° | 120.0° |
| C18 | C22 | H22 | 121.2° | 120.0° |
| C20 | C19 | H19 | 118.5° | 120.0° |
| C19 | C20 | H20 | 120.7° | 120.0° |
| C22 | C21 | H21 | 118.3° | 120.0° |
| C21 | C22 | H22 | 121.2° | 120.0° |
| C30 | C28 | O29 | 120.3° | 120.0° |
| C28 | C30 | N36 | 116.7° | 119.7° |
| C28 | C30 | C32 | 121.9° | 119.8° |
| N36 | C30 | C32 | 121.2° | 120.5° |
| C30 | N36 | C35 | 121.6° | 121.6° |
| C30 | C32 | C33 | 118.6° | 119.1° |
| C30 | C32 | H32 | 120.7° | 120.4° |
| C33 | C32 | H32 | 120.7° | 120.5° |
| C32 | C33 | C34 | 118.8° | 118.5° |
| C32 | C33 | H33 | 120.6° | 120.7° |
| C34 | C33 | H33 | 120.6° | 120.8° |
| C33 | C34 | C35 | 120.4° | 119.3° |
| C33 | C34 | H34 | 119.8° | 120.3° |
| C35 | C34 | H34 | 119.8° | 120.4° |
| C34 | C35 | C37 | 120.4° | 119.5° |
| C34 | C35 | N36 | 119.3° | 121.0° |
| C37 | C35 | N36 | 120.3° | 119.6° |
| C35 | C37 | C41 | 116.1° | 109.5° |
| C35 | C37 | H37 | 107.3° | 109.5° |
| C35 | C37 | H37A | 107.3° | 109.5° |
| C41 | C37 | H37 | 107.3° | 109.5° |
| C41 | C37 | H37A | 107.3° | 109.5° |
| C37 | C41 | C45 | 111.7° | 109.5° |
| C37 | C41 | C44 | 109.4° | 109.5° |
| C37 | C41 | H41 | 106.3° | 109.5° |
| H37 | C37 | H37A | 111.5° | 109.5° |
| C45 | C41 | C44 | 103.7° | 109.4° |
| C45 | C41 | H41 | 111.8° | 109.4° |
| C41 | C45 | C48 | 106.9° | 109.5° |
| C41 | C45 | H45 | 110.3° | 109.5° |
| C41 | C45 | H45A | 110.3° | 109.5° |
| C44 | C41 | H41 | 114.0° | 109.5° |
| C41 | C44 | C57 | 113.0° | 109.5° |
| C41 | C44 | H44 | 108.3° | 109.5° |
| C41 | C44 | H44A | 108.3° | 109.5° |
| C57 | C44 | H44 | 108.3° | 109.5° |
| C57 | C44 | H44A | 108.3° | 109.4° |
| C44 | C57 | C47 | 117.3° | 109.4° |
| C44 | C57 | H57 | 106.9° | 109.4° |
| C44 | C57 | H57A | 106.9° | 109.5° |
| H44 | C44 | H44A | 110.6° | 109.5° |
| C48 | C45 | H45 | 110.3° | 109.5° |
| C48 | C45 | H45A | 110.3° | 109.5° |
| C45 | C48 | C47 | 110.0° | 109.5° |
| C45 | C48 | H48 | 109.3° | 109.5° |
| C45 | C48 | H48A | 109.3° | 109.5° |
| H45 | C45 | H45A | 108.6° | 109.4° |
| C48 | C47 | C57 | 110.0° | 109.5° |
| C48 | C47 | H47 | 109.3° | 109.5° |
| C48 | C47 | H47A | 109.3° | 109.5° |
| C47 | C48 | H48 | 109.3° | 109.4° |
| C47 | C48 | H48A | 109.3° | 109.5° |
| C57 | C47 | H47 | 109.3° | 109.5° |
| C57 | C47 | H47A | 109.3° | 109.5° |
| C47 | C57 | H57 | 106.9° | 109.4° |
| C47 | C57 | H57A | 106.9° | 109.5° |
| H47 | C47 | H47A | 109.7° | 109.5° |
| H48 | C48 | H48A | 109.7° | 109.5° |
| H57 | C57 | H57A | 111.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C15 | H1 | 120.0° | 120.0° |
| C2 | C1 | C15 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1A | 118.4° | 120.0° |
| C1 | C2 | C3 | C7 | 178.8° | 179.7° |
| C1 | C2 | C3 | C4 | 178.8° | 179.9° |
| C1 | C2 | C3 | H3 | 1.2° | 0.1° |
| C1 | C2 | C7 | C6 | 180.0° | 179.8° |
| C1 | C2 | C7 | N8 | 3.3° | 0.0° |
| C2 | C1 | C15 | C20 | 157.2° | 88.2° |
| C2 | C1 | C15 | C21 | 25.7° | 91.6° |
| C15 | C1 | H1 | H1A | 118.4° | 120.0° |
| C15 | C1 | C2 | C3 | 96.0° | 91.2° |
| C15 | C1 | C2 | C7 | 85.3° | 88.5° |
| C1 | C15 | C20 | C21 | 177.2° | 179.8° |
| C1 | C15 | C20 | C19 | 179.7° | 180.0° |
| C1 | C15 | C20 | H20 | 0.2° | 0.0° |
| C1 | C15 | C21 | C22 | 178.2° | 180.0° |
| C1 | C15 | C21 | H21 | 1.8° | 0.1° |
| H1 | C1 | C2 | C3 | 24.0° | 28.8° |
| H1 | C1 | C2 | C7 | 154.7° | 151.5° |
| H1 | C1 | C15 | C20 | 37.2° | 151.8° |
| H1 | C1 | C15 | C21 | 145.7° | 28.4° |
| H1A | C1 | C2 | C3 | 144.0° | 148.9° |
| H1A | C1 | C2 | C7 | 34.7° | 31.4° |
| H1A | C1 | C15 | C20 | 82.8° | 31.7° |
| H1A | C1 | C15 | C21 | 94.3° | 148.5° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C9 | 179.7° | 179.9° |
| C2 | C3 | C4 | C5 | 1.6° | 0.0° |
| C3 | C2 | C7 | C6 | 1.3° | 0.5° |
| C3 | C2 | C7 | N8 | 178.0° | 179.7° |
| C7 | C2 | C3 | C4 | 0.0° | 0.2° |
| C7 | C2 | C3 | H3 | 180.0° | 179.7° |
| C2 | C7 | C6 | C5 | 0.9° | 0.5° |
| C2 | C7 | C6 | N8 | 176.6° | 179.8° |
| C2 | C7 | C6 | H6 | 179.0° | 179.7° |
| C2 | C7 | N8 | C28 | 169.8° | 161.3° |
| C2 | C7 | N8 | HN8 | 10.1° | 18.7° |
| C3 | C4 | C9 | C5 | 178.1° | 179.9° |
| C3 | C4 | C5 | C6 | 2.0° | 0.1° |
| C3 | C4 | C5 | H5 | 178.0° | 179.9° |
| C3 | C4 | C9 | O10 | 15.1° | 0.1° |
| C3 | C4 | C9 | O11 | 163.1° | 180.0° |
| H3 | C3 | C4 | C9 | 0.2° | 0.1° |
| H3 | C3 | C4 | C5 | 178.4° | 180.0° |
| C9 | C4 | C5 | C6 | 179.8° | 180.0° |
| C9 | C4 | C5 | H5 | 0.2° | 0.0° |
| C4 | C9 | O10 | O11 | 178.1° | 180.0° |
| C4 | C9 | O11 | HO11 | 178.1° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.7° | 0.2° |
| C4 | C5 | C6 | H6 | 179.3° | 180.0° |
| C5 | C4 | C9 | O10 | 166.8° | 180.0° |
| C5 | C4 | C9 | O11 | 15.0° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 179.8° |
| C5 | C6 | C7 | N8 | 177.6° | 179.7° |
| H5 | C5 | C6 | C7 | 179.3° | 179.8° |
| H5 | C5 | C6 | H6 | 0.7° | 0.0° |
| C6 | C7 | N8 | C28 | 13.5° | 18.9° |
| C6 | C7 | N8 | HN8 | 166.5° | 161.1° |
| H6 | C6 | C7 | N8 | 2.4° | 0.1° |
| C7 | N8 | C28 | HN8 | 180.0° | 179.9° |
| C7 | N8 | C28 | C30 | 175.0° | 179.5° |
| C7 | N8 | C28 | O29 | 2.5° | 0.4° |
| N8 | C28 | C30 | O29 | 177.7° | 179.9° |
| N8 | C28 | C30 | N36 | 7.0° | 174.9° |
| N8 | C28 | C30 | C32 | 177.1° | 5.4° |
| HN8 | N8 | C28 | C30 | 5.0° | 0.5° |
| HN8 | N8 | C28 | O29 | 177.5° | 179.6° |
| O10 | C9 | O11 | HO11 | 0.0° | 0.0° |
| C15 | C20 | C19 | C18 | 2.9° | 0.0° |
| C15 | C20 | C19 | H20 | 180.0° | 180.0° |
| C15 | C20 | C19 | H19 | 177.1° | 179.7° |
| C20 | C15 | C21 | C22 | 1.1° | 0.2° |
| C20 | C15 | C21 | H21 | 178.9° | 179.7° |
| C15 | C21 | C22 | C18 | 0.1° | 0.0° |
| C21 | C15 | C20 | C19 | 2.5° | 0.2° |
| C21 | C15 | C20 | H20 | 177.5° | 179.8° |
| C15 | C21 | C22 | H21 | 180.0° | 179.9° |
| C15 | C21 | C22 | H22 | 179.9° | 179.7° |
| C19 | C18 | C22 | H18 | 180.0° | 179.7° |
| C18 | C19 | C20 | H19 | 180.0° | 179.7° |
| C18 | C19 | C20 | H20 | 177.1° | 179.9° |
| C19 | C18 | C22 | C21 | 0.1° | 0.3° |
| C19 | C18 | C22 | H22 | 179.9° | 180.0° |
| C22 | C18 | C19 | C20 | 1.6° | 0.3° |
| C22 | C18 | C19 | H19 | 178.4° | 180.0° |
| C18 | C22 | C21 | H22 | 180.0° | 179.7° |
| C18 | C22 | C21 | H21 | 179.9° | 180.0° |
| H18 | C18 | C19 | C20 | 178.3° | 180.0° |
| H18 | C18 | C19 | H19 | 1.7° | 0.3° |
| H18 | C18 | C22 | C21 | 179.9° | 180.0° |
| H18 | C18 | C22 | H22 | 0.1° | 0.3° |
| H19 | C19 | C20 | H20 | 2.9° | 0.3° |
| H21 | C21 | C22 | H22 | 0.1° | 0.3° |
| C28 | C30 | N36 | C32 | 175.9° | 179.7° |
| C28 | C30 | C32 | C33 | 177.4° | 180.0° |
| C28 | C30 | C32 | H32 | 2.6° | 0.1° |
| C28 | C30 | N36 | C35 | 178.7° | 179.7° |
| O29 | C28 | C30 | N36 | 170.7° | 5.0° |
| O29 | C28 | C30 | C32 | 5.2° | 174.7° |
| N36 | C30 | C32 | C33 | 1.7° | 0.3° |
| N36 | C30 | C32 | H32 | 178.3° | 179.8° |
| C30 | N36 | C35 | C34 | 1.8° | 0.5° |
| C30 | N36 | C35 | C37 | 178.9° | 179.7° |
| C30 | C32 | C33 | H32 | 180.0° | 179.9° |
| C30 | C32 | C33 | C34 | 0.2° | 0.0° |
| C30 | C32 | C33 | H33 | 179.8° | 180.0° |
| C32 | C30 | N36 | C35 | 2.8° | 0.5° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 1.2° | 0.0° |
| C32 | C33 | C34 | H34 | 178.8° | 180.0° |
| H32 | C32 | C33 | C34 | 179.8° | 180.0° |
| H32 | C32 | C33 | H33 | 0.2° | 0.1° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C37 | 179.1° | 180.0° |
| C33 | C34 | C35 | N36 | 0.2° | 0.2° |
| H33 | C33 | C34 | C35 | 178.8° | 180.0° |
| H33 | C33 | C34 | H34 | 1.2° | 0.0° |
| C34 | C35 | C37 | N36 | 179.3° | 179.8° |
| C34 | C35 | C37 | C41 | 130.7° | 120.5° |
| C34 | C35 | C37 | H37 | 10.7° | 119.5° |
| C34 | C35 | C37 | H37A | 109.3° | 0.5° |
| H34 | C34 | C35 | C37 | 0.9° | 0.0° |
| H34 | C34 | C35 | N36 | 179.8° | 179.8° |
| C35 | C37 | C41 | H37 | 120.0° | 120.0° |
| C35 | C37 | C41 | H37A | 120.0° | 120.0° |
| C35 | C37 | H37 | H37A | 117.3° | 120.0° |
| C35 | C37 | C41 | C45 | 71.9° | 68.1° |
| C35 | C37 | C41 | C44 | 174.0° | 172.0° |
| C35 | C37 | C41 | H41 | 50.4° | 51.9° |
| N36 | C35 | C37 | C41 | 50.0° | 59.3° |
| N36 | C35 | C37 | H37 | 170.0° | 60.7° |
| N36 | C35 | C37 | H37A | 70.0° | 179.3° |
| C41 | C37 | H37 | H37A | 117.3° | 120.0° |
| C37 | C41 | C45 | C44 | 117.7° | 120.0° |
| C37 | C41 | C45 | H41 | 119.1° | 120.0° |
| C37 | C41 | C44 | H41 | 118.9° | 120.0° |
| C37 | C41 | C44 | C57 | 176.4° | 180.0° |
| C37 | C41 | C44 | H44 | 56.3° | 60.0° |
| C37 | C41 | C44 | H44A | 63.7° | 60.1° |
| C37 | C41 | C45 | C48 | 169.9° | 180.0° |
| C37 | C41 | C45 | H45 | 49.9° | 60.0° |
| C37 | C41 | C45 | H45A | 70.2° | 60.0° |
| H37 | C37 | C41 | C45 | 48.1° | 51.9° |
| H37 | C37 | C41 | C44 | 66.1° | 68.1° |
| H37 | C37 | C41 | H41 | 170.4° | 171.9° |
| H37A | C37 | C41 | C45 | 168.1° | 171.9° |
| H37A | C37 | C41 | C44 | 53.9° | 51.9° |
| H37A | C37 | C41 | H41 | 69.6° | 68.1° |
| C45 | C41 | C44 | H41 | 121.8° | 120.0° |
| C45 | C41 | C44 | C57 | 57.1° | 60.0° |
| C45 | C41 | C44 | H44 | 62.9° | 60.0° |
| C45 | C41 | C44 | H44A | 177.1° | 180.0° |
| C41 | C45 | C48 | H45 | 120.0° | 120.0° |
| C41 | C45 | C48 | H45A | 120.0° | 120.0° |
| C41 | C45 | H45 | H45A | 121.0° | 120.0° |
| C41 | C45 | C48 | C47 | 72.6° | 60.0° |
| C41 | C45 | C48 | H48 | 47.4° | 60.0° |
| C41 | C45 | C48 | H48A | 167.4° | 180.0° |
| C41 | C44 | C57 | H44 | 120.0° | 120.1° |
| C41 | C44 | C57 | H44A | 120.0° | 120.0° |
| C41 | C44 | H44 | H44A | 118.6° | 120.0° |
| C44 | C41 | C45 | C48 | 72.5° | 60.0° |
| C44 | C41 | C45 | H45 | 167.6° | 180.0° |
| C44 | C41 | C45 | H45A | 47.5° | 60.0° |
| C41 | C44 | C57 | C47 | 41.5° | 60.0° |
| C41 | C44 | C57 | H57 | 161.4° | 180.0° |
| C41 | C44 | C57 | H57A | 78.6° | 59.9° |
| H41 | C41 | C44 | C57 | 64.7° | 59.9° |
| H41 | C41 | C44 | H44 | 175.3° | NaN° |
| H41 | C41 | C44 | H44A | 55.3° | 60.0° |
| H41 | C41 | C45 | C48 | 50.8° | 60.0° |
| H41 | C41 | C45 | H45 | 69.2° | 60.0° |
| H41 | C41 | C45 | H45A | 170.8° | 180.0° |
| C57 | C44 | H44 | H44A | 118.6° | 120.0° |
| C44 | C57 | C47 | C48 | 36.7° | 60.0° |
| C44 | C57 | C47 | H57 | 120.0° | 119.9° |
| C44 | C57 | C47 | H57A | 120.0° | 120.0° |
| C44 | C57 | C47 | H47 | 156.7° | 180.0° |
| C44 | C57 | C47 | H47A | 83.3° | 60.0° |
| C44 | C57 | H57 | H57A | 116.8° | 120.1° |
| H44 | C44 | C57 | C47 | 78.6° | 60.0° |
| H44 | C44 | C57 | H57 | 41.4° | 59.9° |
| H44 | C44 | C57 | H57A | 161.4° | NaN° |
| H44A | C44 | C57 | C47 | 161.4° | 180.0° |
| H44A | C44 | C57 | H57 | 78.6° | 60.1° |
| H44A | C44 | C57 | H57A | 41.4° | 60.0° |
| C48 | C45 | H45 | H45A | 121.0° | 120.0° |
| C45 | C48 | C47 | H48 | 120.0° | 120.0° |
| C45 | C48 | C47 | H48A | 120.0° | 120.0° |
| C45 | C48 | C47 | C57 | 50.7° | 60.0° |
| C45 | C48 | C47 | H47 | 170.6° | 180.0° |
| C45 | C48 | C47 | H47A | 69.3° | 60.0° |
| C45 | C48 | H48 | H48A | 119.8° | 120.0° |
| H45 | C45 | C48 | C47 | 167.4° | 180.0° |
| H45 | C45 | C48 | H48 | 72.6° | 60.0° |
| H45 | C45 | C48 | H48A | 47.4° | 60.0° |
| H45A | C45 | C48 | C47 | 47.4° | 60.1° |
| H45A | C45 | C48 | H48 | 167.4° | 180.0° |
| H45A | C45 | C48 | H48A | 72.6° | 60.0° |
| C48 | C47 | C57 | H47 | 120.0° | 120.0° |
| C48 | C47 | C57 | H47A | 120.0° | 120.0° |
| C48 | C47 | H47 | H47A | 119.8° | 120.0° |
| C47 | C48 | H48 | H48A | 119.8° | 120.0° |
| C48 | C47 | C57 | H57 | 156.7° | 179.9° |
| C48 | C47 | C57 | H57A | 83.3° | 60.0° |
| C57 | C47 | H47 | H47A | 119.7° | 120.0° |
| C57 | C47 | C48 | H48 | 69.3° | 60.0° |
| C57 | C47 | C48 | H48A | 170.6° | 180.0° |
| C47 | C57 | H57 | H57A | 116.8° | 120.0° |
| H47 | C47 | C48 | H48 | 50.7° | 60.0° |
| H47 | C47 | C48 | H48A | 69.4° | 60.0° |
| H47 | C47 | C57 | H57 | 83.3° | 60.0° |
| H47 | C47 | C57 | H57A | 36.7° | 60.0° |
| H47A | C47 | C48 | H48 | 170.7° | 180.0° |
| H47A | C47 | C48 | H48A | 50.7° | 60.0° |
| H47A | C47 | C57 | H57 | 36.7° | 59.9° |
| H47A | C47 | C57 | H57A | 156.7° | 180.0° |
