J3E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.51Å | |
| N | C1 | doub | 1.31Å | 1.34Å | Aromatic |
| N | N1 | sing | 1.40Å | 1.41Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C5 | sing | 1.41Å | 1.48Å | Aromatic |
| N1 | C3 | sing | 1.35Å | 1.35Å | Aromatic |
| C8 | C9 | sing | 1.37Å | 1.39Å | Aromatic |
| C5 | C3 | doub | 1.37Å | 1.48Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.49Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C20 | C21 | doub | 1.36Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.41Å | 1.39Å | Aromatic |
| C6 | C26 | doub | 1.40Å | 1.49Å | Aromatic |
| C18 | C19 | doub | 1.41Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.36Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C24 | sing | 1.42Å | 1.48Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.36Å | 1.39Å | Aromatic |
| C26 | C10 | sing | 1.41Å | 1.48Å | Aromatic |
| C26 | N2 | sing | 1.37Å | 1.35Å | Aromatic |
| C24 | C23 | sing | 1.40Å | 1.39Å | Aromatic |
| C24 | C15 | doub | 1.41Å | 1.49Å | Aromatic |
| C16 | C15 | sing | 1.37Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.42Å | 1.48Å | Aromatic |
| C15 | O | sing | 1.36Å | 1.37Å | |
| N2 | C25 | sing | 1.38Å | 1.35Å | Aromatic |
| O | C14 | sing | 1.43Å | 1.43Å | |
| C11 | C25 | doub | 1.36Å | 1.49Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C25 | C27 | sing | 1.47Å | 1.49Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C27 | O1 | doub | 1.22Å | 1.25Å | |
| C27 | O2 | sing | 1.35Å | 1.25Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| O2 | H14 | sing | 0.97Å | 0.95Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| N1 | H19 | sing | 0.97Å | 1.00Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C18 | H24 | sing | 1.08Å | 1.08Å | |
| C17 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | N | 126.4° | 125.9° |
| C | C1 | C5 | 126.5° | 125.9° |
| C1 | C | H20 | 109.5° | 109.5° |
| C1 | C | H21 | 109.5° | 109.5° |
| C1 | C | H22 | 109.5° | 109.5° |
| C1 | N | N1 | 110.6° | 108.5° |
| N | C1 | C5 | 107.1° | 108.2° |
| N | N1 | C3 | 110.4° | 108.2° |
| N | N1 | H19 | 124.8° | 125.9° |
| C8 | C7 | C6 | 121.7° | 120.6° |
| C7 | C8 | C9 | 122.3° | 120.8° |
| C8 | C7 | H1 | 119.1° | 119.7° |
| C7 | C8 | H2 | 118.8° | 119.7° |
| C7 | C6 | C5 | 120.7° | 120.3° |
| C7 | C6 | C26 | 118.6° | 119.6° |
| C6 | C7 | H1 | 119.2° | 119.7° |
| C1 | C5 | C3 | 105.1° | 107.5° |
| C1 | C5 | C6 | 127.5° | 126.3° |
| N1 | C3 | C5 | 106.8° | 107.6° |
| N1 | C3 | C4 | 126.6° | 126.2° |
| C3 | N1 | H19 | 124.8° | 125.9° |
| C8 | C9 | C10 | 119.2° | 120.1° |
| C9 | C8 | H2 | 118.9° | 119.6° |
| C8 | C9 | H3 | 120.4° | 120.0° |
| C3 | C5 | C6 | 127.4° | 126.2° |
| C5 | C3 | C4 | 126.6° | 126.2° |
| C5 | C6 | C26 | 120.7° | 120.2° |
| C3 | C4 | H16 | 109.5° | 109.5° |
| C3 | C4 | H17 | 109.5° | 109.5° |
| C3 | C4 | H18 | 109.5° | 109.5° |
| C21 | C20 | C19 | 119.4° | 119.6° |
| C20 | C21 | C22 | 121.4° | 121.0° |
| C21 | C20 | H11 | 120.3° | 120.2° |
| C20 | C21 | H12 | 119.3° | 119.5° |
| C20 | C19 | C18 | 121.7° | 121.2° |
| C20 | C19 | C24 | 119.1° | 119.4° |
| C19 | C20 | H11 | 120.3° | 120.2° |
| C6 | C26 | C10 | 116.7° | 119.3° |
| C6 | C26 | N2 | 134.3° | 133.2° |
| C19 | C18 | C17 | 120.6° | 119.7° |
| C18 | C19 | C24 | 119.2° | 119.4° |
| C19 | C18 | H24 | 119.7° | 120.1° |
| C18 | C17 | C16 | 122.4° | 121.1° |
| C17 | C18 | H24 | 119.7° | 120.1° |
| C18 | C17 | H25 | 118.8° | 119.4° |
| C21 | C22 | C23 | 121.3° | 121.0° |
| C22 | C21 | H12 | 119.3° | 119.5° |
| C21 | C22 | H13 | 119.4° | 119.5° |
| C19 | C24 | C23 | 119.6° | 119.4° |
| C19 | C24 | C15 | 118.2° | 119.3° |
| C17 | C16 | C15 | 121.0° | 120.9° |
| C17 | C16 | H10 | 119.5° | 119.6° |
| C16 | C17 | H25 | 118.8° | 119.5° |
| C9 | C10 | C26 | 121.5° | 119.7° |
| C9 | C10 | C11 | 132.3° | 133.3° |
| C10 | C9 | H3 | 120.4° | 120.0° |
| C22 | C23 | C24 | 119.2° | 119.7° |
| C23 | C22 | H13 | 119.4° | 119.5° |
| C22 | C23 | H23 | 120.4° | 120.2° |
| C10 | C26 | N2 | 109.0° | 107.5° |
| C26 | C10 | C11 | 106.3° | 106.9° |
| C26 | N2 | C25 | 111.0° | 108.8° |
| C26 | N2 | H15 | 124.5° | 125.6° |
| C23 | C24 | C15 | 122.2° | 121.3° |
| C24 | C23 | H23 | 120.4° | 120.2° |
| C24 | C15 | C16 | 118.6° | 119.5° |
| C24 | C15 | O | 120.7° | 120.2° |
| C16 | C15 | O | 120.7° | 120.3° |
| C15 | C16 | H10 | 119.5° | 119.5° |
| C10 | C11 | C25 | 103.0° | 107.7° |
| C10 | C11 | C12 | 128.5° | 126.1° |
| C15 | O | C14 | 120.0° | 116.9° |
| N2 | C25 | C11 | 110.7° | 109.1° |
| N2 | C25 | C27 | 129.1° | 125.4° |
| C25 | N2 | H15 | 124.5° | 125.6° |
| O | C14 | C13 | 109.5° | 109.5° |
| O | C14 | H8 | 109.5° | 109.5° |
| O | C14 | H9 | 109.5° | 109.4° |
| C25 | C11 | C12 | 128.5° | 126.1° |
| C11 | C25 | C27 | 120.1° | 125.5° |
| C11 | C12 | C13 | 109.5° | 109.5° |
| C11 | C12 | H4 | 109.5° | 109.5° |
| C11 | C12 | H5 | 109.5° | 109.5° |
| C25 | C27 | O1 | 119.0° | 120.0° |
| C25 | C27 | O2 | 119.0° | 120.0° |
| C14 | C13 | C12 | 111.0° | 109.5° |
| C14 | C13 | H6 | 109.1° | 109.4° |
| C14 | C13 | H7 | 109.1° | 109.4° |
| C13 | C14 | H8 | 109.5° | 109.5° |
| C13 | C14 | H9 | 109.5° | 109.4° |
| C13 | C12 | H4 | 109.5° | 109.5° |
| C13 | C12 | H5 | 109.5° | 109.4° |
| C12 | C13 | H6 | 109.1° | 109.5° |
| C12 | C13 | H7 | 109.1° | 109.5° |
| O1 | C27 | O2 | 122.0° | 120.0° |
| C27 | O2 | H14 | 109.5° | 117.0° |
| H4 | C12 | H5 | 109.5° | 109.4° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H16 | C4 | H17 | 109.5° | 109.5° |
| H16 | C4 | H18 | 109.4° | 109.5° |
| H17 | C4 | H18 | 109.5° | 109.4° |
| H20 | C | H21 | 109.5° | 109.5° |
| H20 | C | H22 | 109.5° | 109.4° |
| H21 | C | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | N | C5 | 179.9° | 179.8° |
| C | C1 | N | N1 | 179.9° | 179.7° |
| C | C1 | C5 | C3 | 180.0° | 179.7° |
| C | C1 | C5 | C6 | 0.1° | 0.2° |
| C1 | C | H20 | H21 | 120.0° | 120.0° |
| C1 | C | H20 | H22 | 120.0° | 120.0° |
| C1 | C | H21 | H22 | 120.0° | 120.0° |
| C1 | N | N1 | C3 | 0.0° | 0.1° |
| N | C1 | C5 | C3 | 0.0° | 0.0° |
| N | C1 | C5 | C6 | 180.0° | 180.0° |
| C1 | N | N1 | H19 | 179.9° | 180.0° |
| N | C1 | C | H20 | 0.0° | 90.3° |
| N | C1 | C | H21 | 120.0° | 29.7° |
| N | C1 | C | H22 | 120.0° | 149.7° |
| N1 | N | C1 | C5 | 0.0° | 0.1° |
| N | N1 | C3 | H19 | 180.0° | 180.0° |
| N | N1 | C3 | C5 | 0.1° | 0.0° |
| N | N1 | C3 | C4 | 180.0° | 180.0° |
| C8 | C7 | C6 | H1 | 180.0° | 179.8° |
| C7 | C8 | C9 | H2 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 180.0° | 180.0° |
| C8 | C7 | C6 | C26 | 0.0° | 0.0° |
| C7 | C8 | C9 | C10 | 0.0° | 0.0° |
| C7 | C8 | C9 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | C1 | 67.7° | 90.0° |
| C6 | C7 | C8 | C9 | 0.0° | 0.0° |
| C7 | C6 | C5 | C3 | 112.2° | 90.0° |
| C7 | C6 | C5 | C26 | 180.0° | 180.0° |
| C7 | C6 | C26 | C10 | 0.0° | 0.0° |
| C7 | C6 | C26 | N2 | 180.0° | 180.0° |
| C6 | C7 | C8 | H2 | 180.0° | 180.0° |
| C1 | C5 | C3 | N1 | 0.0° | 0.0° |
| C1 | C5 | C3 | C6 | 180.0° | 180.0° |
| C1 | C5 | C3 | C4 | 180.0° | 179.9° |
| C1 | C5 | C6 | C26 | 112.2° | 90.0° |
| C5 | C1 | C | H20 | 180.0° | 90.0° |
| C5 | C1 | C | H21 | 59.9° | 150.0° |
| C5 | C1 | C | H22 | 60.1° | 30.0° |
| N1 | C3 | C5 | C4 | 179.9° | 179.9° |
| N1 | C3 | C5 | C6 | 180.0° | 180.0° |
| N1 | C3 | C4 | H16 | 90.0° | 89.9° |
| N1 | C3 | C4 | H17 | 149.9° | 30.1° |
| N1 | C3 | C4 | H18 | 29.9° | 150.0° |
| C8 | C9 | C10 | H3 | 180.0° | 180.0° |
| C8 | C9 | C10 | C26 | 0.0° | 0.0° |
| C8 | C9 | C10 | C11 | 180.0° | 180.0° |
| C9 | C8 | C7 | H1 | 180.0° | 179.8° |
| C3 | C5 | C6 | C26 | 67.8° | 90.0° |
| C5 | C3 | C4 | H16 | 90.0° | 90.0° |
| C5 | C3 | C4 | H17 | 30.0° | 150.0° |
| C5 | C3 | C4 | H18 | 150.0° | 30.0° |
| C5 | C3 | N1 | H19 | 179.9° | 180.0° |
| C6 | C5 | C3 | C4 | 0.1° | 0.0° |
| C5 | C6 | C26 | C10 | 180.0° | 180.0° |
| C5 | C6 | C26 | N2 | 0.1° | 0.0° |
| C5 | C6 | C7 | H1 | 0.0° | 0.2° |
| C3 | C4 | H16 | H17 | 120.0° | 120.0° |
| C3 | C4 | H16 | H18 | 120.0° | 120.0° |
| C3 | C4 | H17 | H18 | 120.0° | 120.0° |
| C4 | C3 | N1 | H19 | 0.0° | 0.1° |
| C21 | C20 | C19 | H11 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 180.0° | 180.0° |
| C20 | C21 | C22 | H12 | 180.0° | 179.9° |
| C21 | C20 | C19 | C24 | 0.0° | 0.1° |
| C20 | C21 | C22 | C23 | 0.0° | 0.1° |
| C20 | C21 | C22 | H13 | 180.0° | 179.9° |
| C20 | C19 | C18 | C24 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 0.0° | 0.1° |
| C20 | C19 | C24 | C23 | 0.0° | 0.0° |
| C20 | C19 | C24 | C15 | 180.0° | 180.0° |
| C19 | C20 | C21 | H12 | 180.0° | 180.0° |
| C20 | C19 | C18 | H24 | 0.0° | 0.0° |
| C6 | C26 | C10 | C9 | 0.0° | 0.0° |
| C6 | C26 | C10 | N2 | 180.0° | 180.0° |
| C6 | C26 | C10 | C11 | 179.9° | 180.0° |
| C6 | C26 | N2 | C25 | 179.9° | 180.0° |
| C26 | C6 | C7 | H1 | 180.0° | 179.8° |
| C6 | C26 | N2 | H15 | 0.1° | 0.1° |
| C19 | C18 | C17 | H24 | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 0.0° | 0.3° |
| C18 | C19 | C24 | C23 | 180.0° | 180.0° |
| C18 | C19 | C24 | C15 | 0.0° | 0.0° |
| C18 | C19 | C20 | H11 | 0.0° | 0.1° |
| C19 | C18 | C17 | H25 | 180.0° | 180.0° |
| C17 | C18 | C19 | C24 | 0.0° | 0.2° |
| C18 | C17 | C16 | H25 | 180.0° | 179.7° |
| C18 | C17 | C16 | C15 | 0.0° | 0.0° |
| C18 | C17 | C16 | H10 | 179.9° | 180.0° |
| C21 | C22 | C23 | H13 | 180.0° | 179.8° |
| C21 | C22 | C23 | C24 | 0.0° | 0.1° |
| C22 | C21 | C20 | H11 | 180.0° | 180.0° |
| C21 | C22 | C23 | H23 | 180.0° | 179.9° |
| C19 | C24 | C23 | C22 | 0.0° | 0.0° |
| C19 | C24 | C23 | C15 | 180.0° | 180.0° |
| C19 | C24 | C15 | C16 | 0.0° | 0.2° |
| C19 | C24 | C15 | O | 180.0° | 180.0° |
| C24 | C19 | C20 | H11 | 179.9° | 180.0° |
| C19 | C24 | C23 | H23 | 180.0° | 179.9° |
| C24 | C19 | C18 | H24 | 179.9° | 179.9° |
| C17 | C16 | C15 | C24 | 0.0° | 0.2° |
| C17 | C16 | C15 | H10 | 180.0° | 180.0° |
| C17 | C16 | C15 | O | 180.0° | 180.0° |
| C16 | C17 | C18 | H24 | 180.0° | 180.0° |
| C9 | C10 | C26 | C11 | 180.0° | 180.0° |
| C9 | C10 | C26 | N2 | 180.0° | 180.0° |
| C9 | C10 | C11 | C25 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C10 | C9 | C8 | H2 | 180.0° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C15 | 180.0° | 179.9° |
| C23 | C22 | C21 | H12 | 180.0° | 180.0° |
| C10 | C26 | N2 | C25 | 0.0° | 0.0° |
| C26 | C10 | C11 | C25 | 0.0° | 0.0° |
| C26 | C10 | C11 | C12 | 179.9° | 180.0° |
| C26 | C10 | C9 | H3 | 180.0° | 180.0° |
| C10 | C26 | N2 | H15 | 179.9° | 179.9° |
| N2 | C26 | C10 | C11 | 0.0° | 0.0° |
| C26 | N2 | C25 | H15 | 180.0° | 179.9° |
| C26 | N2 | C25 | C11 | 0.0° | 0.0° |
| C26 | N2 | C25 | C27 | 180.0° | 180.0° |
| C23 | C24 | C15 | C16 | 180.0° | 179.7° |
| C23 | C24 | C15 | O | 0.0° | 0.0° |
| C24 | C23 | C22 | H13 | 180.0° | 179.9° |
| C24 | C15 | C16 | O | 180.0° | 179.7° |
| C24 | C15 | O | C14 | 169.7° | 179.8° |
| C24 | C15 | C16 | H10 | 179.9° | 179.8° |
| C15 | C24 | C23 | H23 | 0.0° | 0.1° |
| C16 | C15 | O | C14 | 10.3° | 0.1° |
| C15 | C16 | C17 | H25 | 180.0° | 179.8° |
| C10 | C11 | C25 | N2 | 0.0° | 0.0° |
| C10 | C11 | C25 | C12 | 179.9° | 180.0° |
| C10 | C11 | C25 | C27 | 179.9° | 179.9° |
| C10 | C11 | C12 | C13 | 101.6° | 90.0° |
| C11 | C10 | C9 | H3 | 0.0° | 0.0° |
| C10 | C11 | C12 | H4 | 138.4° | 150.0° |
| C10 | C11 | C12 | H5 | 18.4° | 30.0° |
| C15 | O | C14 | C13 | 179.5° | 180.0° |
| C15 | O | C14 | H8 | 59.5° | 59.9° |
| C15 | O | C14 | H9 | 60.5° | 60.1° |
| O | C15 | C16 | H10 | 0.1° | 0.1° |
| N2 | C25 | C11 | C27 | 179.9° | 179.9° |
| N2 | C25 | C11 | C12 | 179.9° | 179.9° |
| N2 | C25 | C27 | O1 | 15.8° | 180.0° |
| N2 | C25 | C27 | O2 | 164.3° | 0.1° |
| O | C14 | C13 | H8 | 120.0° | 120.1° |
| O | C14 | C13 | H9 | 120.0° | 119.9° |
| O | C14 | C13 | C12 | 46.7° | 180.0° |
| O | C14 | C13 | H6 | 73.5° | 59.9° |
| O | C14 | C13 | H7 | 166.9° | 60.0° |
| O | C14 | H8 | H9 | 120.0° | 120.0° |
| C25 | C11 | C12 | C13 | 78.3° | 89.9° |
| C11 | C25 | C27 | O1 | 164.3° | 0.1° |
| C11 | C25 | C27 | O2 | 15.7° | 180.0° |
| C25 | C11 | C12 | H4 | 41.7° | 30.1° |
| C25 | C11 | C12 | H5 | 161.7° | 150.0° |
| C11 | C25 | N2 | H15 | 180.0° | 179.9° |
| C12 | C11 | C25 | C27 | 0.0° | 0.0° |
| C11 | C12 | C13 | C14 | 78.2° | 180.0° |
| C11 | C12 | C13 | H4 | 120.0° | 120.0° |
| C11 | C12 | C13 | H5 | 120.0° | 120.1° |
| C11 | C12 | H4 | H5 | 120.0° | 120.0° |
| C11 | C12 | C13 | H6 | 161.6° | 60.0° |
| C11 | C12 | C13 | H7 | 42.1° | 60.0° |
| C25 | C27 | O1 | O2 | 179.9° | 179.9° |
| C25 | C27 | O2 | H14 | 179.9° | 180.0° |
| C27 | C25 | N2 | H15 | 0.0° | 0.2° |
| C14 | C13 | C12 | H6 | 120.2° | 120.0° |
| C14 | C13 | C12 | H7 | 120.2° | 120.0° |
| C14 | C13 | C12 | H4 | 161.8° | 60.0° |
| C14 | C13 | C12 | H5 | 41.8° | 60.0° |
| C14 | C13 | H6 | H7 | 119.3° | 119.9° |
| C13 | C14 | H8 | H9 | 120.0° | 120.0° |
| C13 | C12 | H4 | H5 | 120.0° | 119.9° |
| C12 | C13 | H6 | H7 | 119.3° | 120.1° |
| C12 | C13 | C14 | H8 | 166.7° | 60.0° |
| C12 | C13 | C14 | H9 | 73.3° | 60.0° |
| O1 | C27 | O2 | H14 | 0.0° | 0.1° |
| H1 | C7 | C8 | H2 | 0.0° | 0.2° |
| H2 | C8 | C9 | H3 | 0.0° | 0.0° |
| H4 | C12 | C13 | H6 | 41.6° | 180.0° |
| H4 | C12 | C13 | H7 | 77.9° | 60.0° |
| H5 | C12 | C13 | H6 | 78.4° | 60.0° |
| H5 | C12 | C13 | H7 | 162.1° | 179.9° |
| H6 | C13 | C14 | H8 | 46.4° | 180.0° |
| H6 | C13 | C14 | H9 | 166.5° | 60.0° |
| H7 | C13 | C14 | H8 | 73.1° | 60.0° |
| H7 | C13 | C14 | H9 | 46.9° | 179.9° |
| H10 | C16 | C17 | H25 | 0.1° | 0.2° |
| H11 | C20 | C21 | H12 | 0.0° | 0.1° |
| H12 | C21 | C22 | H13 | 0.0° | 0.1° |
| H13 | C22 | C23 | H23 | 0.1° | 0.1° |
| H16 | C4 | H17 | H18 | 120.0° | 120.0° |
| H20 | C | H21 | H22 | 120.0° | 119.9° |
| H24 | C18 | C17 | H25 | 0.0° | 0.3° |
