5ML
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.47Å | 1.47Å | |
| N | C4 | sing | 1.47Å | 1.46Å | |
| N | C1 | sing | 1.47Å | 1.46Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | N1 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C5 | sing | 1.40Å | 1.45Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.48Å | 1.50Å | |
| N2 | C7 | sing | 1.35Å | 1.35Å | |
| N2 | C6 | sing | 1.40Å | 1.41Å | |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | O | doub | 1.22Å | 1.22Å | |
| C6 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C19 | sing | 1.48Å | 1.49Å | |
| C19 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | N3 | sing | 1.31Å | 1.33Å | Aromatic |
| C27 | C26 | doub | 1.41Å | 1.41Å | Aromatic |
| N3 | C21 | doub | 1.34Å | 1.37Å | Aromatic |
| C26 | C21 | sing | 1.42Å | 1.42Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.42Å | Aromatic |
| C21 | C22 | sing | 1.41Å | 1.42Å | Aromatic |
| C25 | C24 | doub | 1.36Å | 1.37Å | Aromatic |
| C22 | C23 | doub | 1.36Å | 1.37Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C27 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C | H27 | sing | 1.09Å | 1.10Å | |
| C | H28 | sing | 1.09Å | 1.10Å | |
| C | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C4 | 110.7° | 111.0° |
| C | N | C1 | 110.8° | 111.0° |
| N | C | H27 | 109.5° | 109.5° |
| N | C | H28 | 109.5° | 109.5° |
| N | C | H29 | 109.5° | 109.5° |
| C4 | N | C1 | 109.5° | 110.9° |
| N | C4 | C3 | 110.9° | 109.4° |
| N | C4 | H1 | 109.1° | 109.5° |
| N | C4 | H2 | 109.1° | 109.5° |
| N | C1 | C2 | 110.7° | 109.4° |
| N | C1 | H22 | 109.2° | 109.5° |
| N | C1 | H23 | 109.1° | 109.5° |
| C4 | C3 | N1 | 110.1° | 109.4° |
| C3 | C4 | H1 | 109.1° | 109.5° |
| C3 | C4 | H2 | 109.1° | 109.5° |
| C4 | C3 | H24 | 109.3° | 109.5° |
| C4 | C3 | H25 | 109.3° | 109.5° |
| C1 | C2 | N1 | 110.3° | 109.4° |
| C1 | C2 | H20 | 109.3° | 109.5° |
| C1 | C2 | H21 | 109.3° | 109.5° |
| C2 | C1 | H22 | 109.2° | 109.5° |
| C2 | C1 | H23 | 109.2° | 109.5° |
| C3 | N1 | C2 | 109.8° | 110.9° |
| C3 | N1 | C5 | 117.7° | 111.0° |
| N1 | C3 | H24 | 109.3° | 109.4° |
| N1 | C3 | H25 | 109.3° | 109.4° |
| C13 | C12 | C11 | 120.8° | 120.0° |
| C13 | C12 | C14 | 120.8° | 119.9° |
| C12 | C13 | H7 | 109.5° | 109.5° |
| C12 | C13 | H8 | 109.5° | 109.5° |
| C12 | C13 | H9 | 109.5° | 109.5° |
| C2 | N1 | C5 | 117.4° | 111.0° |
| N1 | C2 | H20 | 109.3° | 109.5° |
| N1 | C2 | H21 | 109.2° | 109.4° |
| N1 | C5 | C18 | 120.8° | 119.9° |
| N1 | C5 | C6 | 119.1° | 120.0° |
| C12 | C11 | C10 | 121.1° | 120.3° |
| C11 | C12 | C14 | 118.3° | 120.1° |
| C12 | C11 | H6 | 119.5° | 119.8° |
| C11 | C10 | C9 | 120.0° | 120.1° |
| C11 | C10 | H5 | 120.0° | 120.0° |
| C10 | C11 | H6 | 119.5° | 119.9° |
| C12 | C14 | C8 | 121.4° | 119.8° |
| C12 | C14 | H10 | 119.3° | 120.1° |
| C10 | C9 | C8 | 120.2° | 119.8° |
| C10 | C9 | H4 | 119.9° | 120.1° |
| C9 | C10 | H5 | 120.0° | 119.9° |
| C14 | C8 | C9 | 118.9° | 119.7° |
| C14 | C8 | C7 | 123.2° | 120.1° |
| C8 | C14 | H10 | 119.3° | 120.0° |
| C9 | C8 | C7 | 117.9° | 120.2° |
| C8 | C9 | H4 | 119.9° | 120.0° |
| C18 | C5 | C6 | 119.7° | 120.1° |
| C5 | C18 | C17 | 120.5° | 120.1° |
| C5 | C18 | H19 | 119.7° | 120.0° |
| C5 | C6 | N2 | 114.8° | 120.0° |
| C5 | C6 | C15 | 118.6° | 119.9° |
| C8 | C7 | N2 | 117.5° | 120.0° |
| C8 | C7 | O | 121.5° | 120.1° |
| C7 | N2 | C6 | 128.9° | 120.0° |
| N2 | C7 | O | 120.5° | 120.0° |
| C7 | N2 | H3 | 115.6° | 120.0° |
| N2 | C6 | C15 | 125.0° | 120.1° |
| C6 | N2 | H3 | 115.5° | 120.0° |
| C18 | C17 | C16 | 121.3° | 120.1° |
| C18 | C17 | H18 | 119.3° | 120.0° |
| C17 | C18 | H19 | 119.8° | 119.9° |
| C6 | C15 | C16 | 121.9° | 119.9° |
| C6 | C15 | H11 | 119.0° | 120.1° |
| C17 | C16 | C15 | 118.0° | 120.0° |
| C17 | C16 | C19 | 120.9° | 120.0° |
| C16 | C17 | H18 | 119.4° | 119.9° |
| C15 | C16 | C19 | 121.1° | 120.0° |
| C16 | C15 | H11 | 119.1° | 120.1° |
| C16 | C19 | C20 | 122.3° | 120.2° |
| C16 | C19 | C27 | 120.8° | 120.2° |
| C20 | C19 | C27 | 116.8° | 119.6° |
| C19 | C20 | N3 | 125.2° | 121.5° |
| C19 | C20 | H17 | 117.4° | 119.2° |
| C19 | C27 | C26 | 120.8° | 117.9° |
| C19 | C27 | H12 | 119.6° | 121.1° |
| C20 | N3 | C21 | 117.8° | 121.7° |
| N3 | C20 | H17 | 117.4° | 119.3° |
| C27 | C26 | C21 | 117.5° | 119.1° |
| C27 | C26 | C25 | 123.7° | 121.3° |
| C26 | C27 | H12 | 119.6° | 121.0° |
| N3 | C21 | C26 | 121.9° | 120.1° |
| N3 | C21 | C22 | 119.1° | 120.8° |
| C21 | C26 | C25 | 118.8° | 119.6° |
| C26 | C21 | C22 | 119.0° | 119.0° |
| C26 | C25 | C24 | 120.6° | 119.6° |
| C26 | C25 | H13 | 119.7° | 120.2° |
| C21 | C22 | C23 | 120.3° | 119.8° |
| C21 | C22 | H16 | 119.9° | 120.1° |
| C25 | C24 | C23 | 120.5° | 120.9° |
| C24 | C25 | H13 | 119.7° | 120.2° |
| C25 | C24 | H14 | 119.7° | 119.5° |
| C22 | C23 | C24 | 120.8° | 121.1° |
| C22 | C23 | H15 | 119.6° | 119.5° |
| C23 | C22 | H16 | 119.9° | 120.1° |
| C23 | C24 | H14 | 119.7° | 119.6° |
| C24 | C23 | H15 | 119.6° | 119.4° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H7 | C13 | H9 | 109.5° | 109.4° |
| H8 | C13 | H9 | 109.4° | 109.5° |
| H20 | C2 | H21 | 109.5° | 109.5° |
| H22 | C1 | H23 | 109.5° | 109.4° |
| H24 | C3 | H25 | 109.5° | 109.6° |
| H27 | C | H28 | 109.5° | 109.4° |
| H27 | C | H29 | 109.4° | 109.5° |
| H28 | C | H29 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C4 | C1 | 122.4° | 123.9° |
| C | N | C4 | C3 | 179.5° | 176.8° |
| C | N | C1 | C2 | 179.9° | 176.8° |
| C | N | C4 | H1 | 60.3° | 56.8° |
| C | N | C4 | H2 | 59.3° | 63.2° |
| C | N | C1 | H22 | 59.7° | 63.2° |
| C | N | C1 | H23 | 59.9° | 56.8° |
| N | C | H27 | H28 | 120.0° | 120.0° |
| N | C | H27 | H29 | 120.0° | 120.1° |
| N | C | H28 | H29 | 120.0° | 120.0° |
| N | C4 | C3 | H1 | 120.2° | 119.9° |
| N | C4 | C3 | H2 | 120.2° | 120.0° |
| C4 | N | C1 | C2 | 57.7° | 59.3° |
| N | C4 | C3 | N1 | 58.7° | 58.4° |
| N | C4 | H1 | H2 | 119.3° | 120.0° |
| C4 | N | C1 | H22 | 177.9° | 60.7° |
| C4 | N | C1 | H23 | 62.5° | 179.3° |
| N | C4 | C3 | H24 | 178.8° | 178.3° |
| N | C4 | C3 | H25 | 61.4° | 61.5° |
| C4 | N | C | H27 | 180.0° | 60.0° |
| C4 | N | C | H28 | 60.0° | 180.0° |
| C4 | N | C | H29 | 60.0° | 60.0° |
| C1 | N | C4 | C3 | 58.1° | 59.3° |
| N | C1 | C2 | H22 | 120.2° | 120.0° |
| N | C1 | C2 | H23 | 120.2° | 120.0° |
| N | C1 | C2 | N1 | 58.1° | 58.3° |
| C1 | N | C4 | H1 | 62.1° | 179.3° |
| C1 | N | C4 | H2 | 178.3° | 60.7° |
| N | C1 | C2 | H20 | 62.0° | 178.4° |
| N | C1 | C2 | H21 | 178.2° | 61.5° |
| N | C1 | H22 | H23 | 119.4° | 120.0° |
| C1 | N | C | H27 | 58.3° | 63.8° |
| C1 | N | C | H28 | 178.3° | 56.2° |
| C1 | N | C | H29 | 61.7° | 176.2° |
| C4 | C3 | N1 | H24 | 120.1° | 119.9° |
| C4 | C3 | N1 | H25 | 120.1° | 120.0° |
| C4 | C3 | N1 | C2 | 58.0° | 59.3° |
| C4 | C3 | N1 | C5 | 164.2° | 176.8° |
| C3 | C4 | H1 | H2 | 119.4° | 120.1° |
| C4 | C3 | H24 | H25 | 119.7° | 120.1° |
| C1 | C2 | N1 | C3 | 57.8° | 59.3° |
| C1 | C2 | N1 | H20 | 120.1° | 120.0° |
| C1 | C2 | N1 | H21 | 120.1° | 119.9° |
| C1 | C2 | N1 | C5 | 164.3° | 176.8° |
| C1 | C2 | H20 | H21 | 119.7° | 120.1° |
| C2 | C1 | H22 | H23 | 119.4° | 120.0° |
| C3 | N1 | C2 | C5 | 137.9° | 123.9° |
| C3 | N1 | C5 | C18 | 23.4° | 63.9° |
| C3 | N1 | C5 | C6 | 163.6° | 116.5° |
| N1 | C3 | C4 | H1 | 61.5° | 178.4° |
| N1 | C3 | C4 | H2 | 178.9° | 61.6° |
| C3 | N1 | C2 | H20 | 62.3° | 179.3° |
| C3 | N1 | C2 | H21 | 177.9° | 60.6° |
| N1 | C3 | H24 | H25 | 119.7° | 120.0° |
| C13 | C12 | C11 | C14 | 176.0° | 179.7° |
| C13 | C12 | C11 | C10 | 174.0° | 180.0° |
| C13 | C12 | C14 | C8 | 174.5° | 179.7° |
| C13 | C12 | C11 | H6 | 6.0° | 0.3° |
| C12 | C13 | H7 | H8 | 120.0° | 120.0° |
| C12 | C13 | H7 | H9 | 120.0° | 120.0° |
| C12 | C13 | H8 | H9 | 120.0° | 120.0° |
| C13 | C12 | C14 | H10 | 5.5° | 0.3° |
| C2 | N1 | C5 | C18 | 111.2° | 60.0° |
| C2 | N1 | C5 | C6 | 61.8° | 119.6° |
| N1 | C2 | H20 | H21 | 119.6° | 120.0° |
| N1 | C2 | C1 | H22 | 178.3° | 61.6° |
| N1 | C2 | C1 | H23 | 62.0° | 178.4° |
| C2 | N1 | C3 | H24 | 178.1° | 179.2° |
| C2 | N1 | C3 | H25 | 62.1° | 60.7° |
| N1 | C5 | C18 | C6 | 173.0° | 179.6° |
| N1 | C5 | C6 | N2 | 5.4° | 0.3° |
| N1 | C5 | C18 | C17 | 173.0° | 179.7° |
| N1 | C5 | C6 | C15 | 171.6° | 179.7° |
| N1 | C5 | C18 | H19 | 6.9° | 0.4° |
| C5 | N1 | C2 | H20 | 75.6° | 56.8° |
| C5 | N1 | C2 | H21 | 44.2° | 63.3° |
| C5 | N1 | C3 | H24 | 44.1° | 56.8° |
| C5 | N1 | C3 | H25 | 75.7° | 63.2° |
| C12 | C11 | C10 | H6 | 180.0° | 179.7° |
| C12 | C11 | C10 | C9 | 0.8° | 0.0° |
| C11 | C12 | C14 | C8 | 1.6° | 0.6° |
| C12 | C11 | C10 | H5 | 179.2° | 180.0° |
| C11 | C12 | C13 | H7 | 92.0° | 90.0° |
| C11 | C12 | C13 | H8 | 148.0° | 150.0° |
| C11 | C12 | C13 | H9 | 28.0° | 30.0° |
| C11 | C12 | C14 | H10 | 178.4° | 180.0° |
| C10 | C11 | C12 | C14 | 2.0° | 0.3° |
| C11 | C10 | C9 | H5 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.9° | 0.0° |
| C11 | C10 | C9 | H4 | 179.1° | 180.0° |
| C12 | C14 | C8 | H10 | 180.0° | 179.4° |
| C12 | C14 | C8 | C9 | 0.1° | 0.6° |
| C12 | C14 | C8 | C7 | 178.8° | 179.7° |
| C14 | C12 | C11 | H6 | 178.0° | 180.0° |
| C14 | C12 | C13 | H7 | 92.0° | 89.7° |
| C14 | C12 | C13 | H8 | 28.0° | 30.3° |
| C14 | C12 | C13 | H9 | 147.9° | 150.3° |
| C10 | C9 | C8 | C14 | 1.3° | 0.3° |
| C10 | C9 | C8 | H4 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 177.6° | 180.0° |
| C9 | C10 | C11 | H6 | 179.2° | 179.7° |
| C14 | C8 | C9 | C7 | 178.9° | 179.7° |
| C14 | C8 | C7 | N2 | 41.7° | 179.8° |
| C14 | C8 | C7 | O | 146.5° | 0.4° |
| C14 | C8 | C9 | H4 | 178.7° | 179.7° |
| C9 | C8 | C7 | N2 | 137.1° | 0.1° |
| C9 | C8 | C7 | O | 34.7° | 180.0° |
| C8 | C9 | C10 | H5 | 179.1° | 180.0° |
| C9 | C8 | C14 | H10 | 180.0° | 180.0° |
| C18 | C5 | C6 | N2 | 167.7° | 180.0° |
| C5 | C18 | C17 | H19 | 180.0° | 179.9° |
| C18 | C5 | C6 | C15 | 1.5° | 0.1° |
| C5 | C18 | C17 | C16 | 0.4° | 0.1° |
| C5 | C18 | C17 | H18 | 179.6° | 180.0° |
| C5 | C6 | N2 | C7 | 132.3° | 155.3° |
| C5 | C6 | N2 | C15 | 165.2° | 180.0° |
| C6 | C5 | C18 | C17 | 0.0° | 0.1° |
| C5 | C6 | C15 | C16 | 2.7° | 0.1° |
| C5 | C6 | N2 | H3 | 47.7° | 24.8° |
| C5 | C6 | C15 | H11 | 177.3° | 180.0° |
| C6 | C5 | C18 | H19 | 180.0° | 180.0° |
| C8 | C7 | N2 | O | 171.9° | 179.9° |
| C8 | C7 | N2 | C6 | 153.2° | 174.5° |
| C8 | C7 | N2 | H3 | 26.9° | 5.4° |
| C7 | C8 | C9 | H4 | 2.4° | 0.0° |
| C7 | C8 | C14 | H10 | 1.2° | 0.3° |
| C7 | N2 | C6 | H3 | 180.0° | 179.9° |
| C7 | N2 | C6 | C15 | 32.9° | 24.8° |
| C6 | N2 | C7 | O | 35.0° | 5.6° |
| N2 | C6 | C15 | C16 | 167.4° | 180.0° |
| N2 | C6 | C15 | H11 | 12.6° | 0.1° |
| C18 | C17 | C16 | H18 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.7° | 0.0° |
| C18 | C17 | C16 | C19 | 178.1° | 180.0° |
| O | C7 | N2 | H3 | 145.0° | 174.5° |
| C6 | C15 | C16 | C17 | 2.3° | 0.0° |
| C6 | C15 | C16 | H11 | 180.0° | 179.9° |
| C6 | C15 | C16 | C19 | 176.5° | 180.0° |
| C15 | C6 | N2 | H3 | 147.1° | 155.1° |
| C17 | C16 | C15 | C19 | 178.8° | 180.0° |
| C17 | C16 | C19 | C20 | 159.3° | 179.9° |
| C17 | C16 | C19 | C27 | 19.8° | 0.0° |
| C17 | C16 | C15 | H11 | 177.8° | 180.0° |
| C16 | C17 | C18 | H19 | 179.5° | 180.0° |
| C15 | C16 | C19 | C20 | 19.5° | 0.0° |
| C15 | C16 | C19 | C27 | 161.5° | 180.0° |
| C15 | C16 | C17 | H18 | 179.3° | 180.0° |
| C16 | C19 | C20 | C27 | 179.1° | 180.0° |
| C16 | C19 | C20 | N3 | 177.7° | 180.0° |
| C16 | C19 | C27 | C26 | 179.2° | 180.0° |
| C19 | C16 | C15 | H11 | 3.4° | 0.1° |
| C16 | C19 | C27 | H12 | 0.8° | 0.0° |
| C16 | C19 | C20 | H17 | 2.3° | 0.0° |
| C19 | C16 | C17 | H18 | 1.9° | 0.0° |
| C19 | C20 | N3 | H17 | 180.0° | 179.9° |
| C20 | C19 | C27 | C26 | 0.1° | 0.1° |
| C19 | C20 | N3 | C21 | 1.6° | 0.0° |
| C20 | C19 | C27 | H12 | 179.9° | 179.9° |
| C27 | C19 | C20 | N3 | 1.4° | 0.1° |
| C19 | C27 | C26 | H12 | 180.0° | 180.0° |
| C19 | C27 | C26 | C21 | 1.2° | 0.0° |
| C19 | C27 | C26 | C25 | 179.9° | 180.0° |
| C27 | C19 | C20 | H17 | 178.6° | 180.0° |
| C20 | N3 | C21 | C26 | 0.4° | 0.0° |
| C20 | N3 | C21 | C22 | 179.2° | 180.0° |
| C27 | C26 | C21 | N3 | 0.9° | 0.0° |
| C27 | C26 | C21 | C25 | 179.0° | 180.0° |
| C27 | C26 | C21 | C22 | 177.8° | 179.9° |
| C27 | C26 | C25 | C24 | 177.7° | 180.0° |
| C27 | C26 | C25 | H13 | 2.3° | 0.0° |
| N3 | C21 | C26 | C22 | 178.8° | 180.0° |
| N3 | C21 | C26 | C25 | 179.9° | 180.0° |
| N3 | C21 | C22 | C23 | 178.9° | 180.0° |
| N3 | C21 | C22 | H16 | 1.1° | 0.1° |
| C21 | N3 | C20 | H17 | 178.3° | 180.0° |
| C21 | C26 | C25 | C24 | 1.2° | 0.0° |
| C26 | C21 | C22 | C23 | 0.1° | 0.0° |
| C21 | C26 | C27 | H12 | 178.8° | 180.0° |
| C21 | C26 | C25 | H13 | 178.8° | 180.0° |
| C26 | C21 | C22 | H16 | 179.8° | 180.0° |
| C25 | C26 | C21 | C22 | 1.2° | 0.0° |
| C26 | C25 | C24 | H13 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.2° | 0.0° |
| C25 | C26 | C27 | H12 | 0.1° | 0.0° |
| C26 | C25 | C24 | H14 | 179.8° | 180.0° |
| C21 | C22 | C23 | H16 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.9° | 0.1° |
| C21 | C22 | C23 | H15 | 179.1° | 179.9° |
| C25 | C24 | C23 | C22 | 0.9° | 0.0° |
| C25 | C24 | C23 | H14 | 180.0° | 180.0° |
| C25 | C24 | C23 | H15 | 179.1° | 179.9° |
| C22 | C23 | C24 | H15 | 180.0° | 180.0° |
| C22 | C23 | C24 | H14 | 179.1° | 180.0° |
| C23 | C24 | C25 | H13 | 179.8° | 180.0° |
| C24 | C23 | C22 | H16 | 179.1° | 180.0° |
| H1 | C4 | C3 | H24 | 58.6° | 61.7° |
| H1 | C4 | C3 | H25 | 178.4° | 58.4° |
| H2 | C4 | C3 | H24 | 61.0° | 58.3° |
| H2 | C4 | C3 | H25 | 58.8° | 178.5° |
| H4 | C9 | C10 | H5 | 0.9° | 0.0° |
| H5 | C10 | C11 | H6 | 0.8° | 0.3° |
| H7 | C13 | H8 | H9 | 120.0° | 120.0° |
| H13 | C25 | C24 | H14 | 0.2° | 0.0° |
| H14 | C24 | C23 | H15 | 0.9° | 0.0° |
| H15 | C23 | C22 | H16 | 0.9° | 0.0° |
| H18 | C17 | C18 | H19 | 0.4° | 0.1° |
| H20 | C2 | C1 | H22 | 58.2° | 58.4° |
| H20 | C2 | C1 | H23 | 177.8° | 61.6° |
| H21 | C2 | C1 | H22 | 61.6° | 178.5° |
| H21 | C2 | C1 | H23 | 58.1° | 58.5° |
| H27 | C | H28 | H29 | 119.9° | 119.9° |
