A6S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| N2 | C9 | sing | 1.47Å | 1.45Å | |
| N2 | C22 | sing | 1.47Å | 1.46Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | doub | 1.37Å | 1.41Å | Aromatic |
| C1 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.49Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C28 | sing | 1.53Å | 1.54Å | |
| C5 | C8 | sing | 1.47Å | 1.43Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.43Å | Aromatic |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C3 | F1 | sing | 1.35Å | 1.35Å | |
| C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C7 | doub | 1.34Å | 1.37Å | Aromatic |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C6 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | N1 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | N1 | sing | 1.37Å | 1.39Å | Aromatic |
| N1 | C10 | sing | 1.40Å | 1.41Å | |
| C10 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| C13 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C13 | C15 | sing | 1.48Å | 1.48Å | |
| C16 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| O1 | C17 | sing | 1.36Å | 1.38Å | |
| O1 | C21 | sing | 1.43Å | 1.42Å | |
| C15 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.08Å | 1.08Å | |
| C7 | H27 | sing | 1.08Å | 1.08Å | |
| C9 | H28 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| N2 | H30 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C23 | 112.1° | 109.5° |
| C24 | C25 | C26 | 110.7° | 109.5° |
| C25 | C24 | H16 | 108.8° | 109.5° |
| C25 | C24 | H17 | 108.8° | 109.5° |
| C24 | C25 | H18 | 109.2° | 109.5° |
| C24 | C25 | H19 | 109.1° | 109.5° |
| C24 | C23 | C22 | 110.1° | 109.4° |
| C24 | C23 | C28 | 109.5° | 109.5° |
| C24 | C23 | H15 | 108.7° | 109.5° |
| C23 | C24 | H16 | 108.8° | 109.5° |
| C23 | C24 | H17 | 108.8° | 109.5° |
| C9 | N2 | C22 | 109.4° | 111.0° |
| N2 | C9 | C8 | 117.0° | 109.5° |
| N2 | C9 | H28 | 107.6° | 109.4° |
| N2 | C9 | H29 | 107.6° | 109.4° |
| C9 | N2 | H30 | 109.5° | 111.0° |
| N2 | C22 | C23 | 110.1° | 109.5° |
| N2 | C22 | H13 | 109.3° | 109.5° |
| N2 | C22 | H14 | 109.3° | 109.5° |
| C22 | N2 | H30 | 109.5° | 111.0° |
| C25 | C26 | C27 | 110.1° | 109.5° |
| C26 | C25 | H18 | 109.2° | 109.5° |
| C26 | C25 | H19 | 109.2° | 109.4° |
| C25 | C26 | H20 | 109.3° | 109.5° |
| C25 | C26 | H21 | 109.3° | 109.5° |
| C2 | C1 | C5 | 121.2° | 119.8° |
| C1 | C2 | C3 | 120.1° | 120.5° |
| C2 | C1 | H1 | 119.4° | 120.1° |
| C1 | C2 | H2 | 119.9° | 119.8° |
| C1 | C5 | C8 | 134.4° | 134.0° |
| C1 | C5 | C6 | 117.5° | 120.0° |
| C5 | C1 | H1 | 119.4° | 120.1° |
| C2 | C3 | F1 | 120.2° | 119.7° |
| C2 | C3 | C4 | 119.9° | 120.6° |
| C3 | C2 | H2 | 119.9° | 119.7° |
| C9 | C8 | C5 | 128.2° | 126.5° |
| C9 | C8 | C7 | 125.3° | 126.5° |
| C8 | C9 | H28 | 107.6° | 109.5° |
| C8 | C9 | H29 | 107.6° | 109.5° |
| C22 | C23 | C28 | 111.3° | 109.5° |
| C23 | C22 | H13 | 109.3° | 109.4° |
| C23 | C22 | H14 | 109.3° | 109.5° |
| C22 | C23 | H15 | 108.7° | 109.4° |
| C23 | C28 | C27 | 111.9° | 109.5° |
| C28 | C23 | H15 | 108.6° | 109.5° |
| C23 | C28 | H24 | 108.9° | 109.5° |
| C23 | C28 | H25 | 108.8° | 109.4° |
| C8 | C5 | C6 | 108.0° | 106.1° |
| C5 | C8 | C7 | 106.5° | 107.1° |
| C5 | C6 | C4 | 121.4° | 119.4° |
| C5 | C6 | N1 | 106.1° | 107.2° |
| C26 | C27 | C28 | 110.9° | 109.5° |
| C27 | C26 | H20 | 109.3° | 109.5° |
| C27 | C26 | H21 | 109.3° | 109.4° |
| C26 | C27 | H22 | 109.1° | 109.5° |
| C26 | C27 | H23 | 109.1° | 109.5° |
| F1 | C3 | C4 | 119.9° | 119.7° |
| C3 | C4 | C6 | 119.8° | 119.8° |
| C3 | C4 | H26 | 120.1° | 120.1° |
| C8 | C7 | N1 | 110.2° | 109.9° |
| C8 | C7 | H27 | 124.9° | 125.1° |
| C28 | C27 | H22 | 109.1° | 109.4° |
| C28 | C27 | H23 | 109.1° | 109.5° |
| C27 | C28 | H24 | 108.8° | 109.5° |
| C27 | C28 | H25 | 108.8° | 109.5° |
| C4 | C6 | N1 | 132.5° | 133.5° |
| C6 | C4 | H26 | 120.1° | 120.1° |
| C6 | N1 | C7 | 109.1° | 109.8° |
| C6 | N1 | C10 | 127.1° | 125.1° |
| C7 | N1 | C10 | 123.7° | 125.1° |
| N1 | C7 | H27 | 124.9° | 125.0° |
| N1 | C10 | C11 | 120.9° | 120.8° |
| N1 | C10 | C14 | 119.9° | 120.8° |
| C11 | C10 | C14 | 119.2° | 118.4° |
| C10 | C11 | C12 | 118.0° | 119.3° |
| C10 | C11 | H3 | 121.0° | 120.4° |
| C10 | C14 | C13 | 118.8° | 119.0° |
| C10 | C14 | H5 | 120.6° | 120.5° |
| C11 | C12 | N3 | 123.0° | 121.0° |
| C12 | C11 | H3 | 121.0° | 120.3° |
| C11 | C12 | H4 | 118.5° | 119.5° |
| C14 | C13 | N3 | 122.0° | 120.6° |
| C14 | C13 | C15 | 121.3° | 119.7° |
| C13 | C14 | H5 | 120.6° | 120.5° |
| C12 | N3 | C13 | 119.0° | 121.8° |
| N3 | C12 | H4 | 118.5° | 119.6° |
| N3 | C13 | C15 | 116.6° | 119.7° |
| C13 | C15 | C16 | 120.2° | 120.1° |
| C13 | C15 | C20 | 121.3° | 120.1° |
| C15 | C16 | C17 | 121.9° | 119.8° |
| C16 | C15 | C20 | 118.5° | 119.8° |
| C15 | C16 | H6 | 119.0° | 120.1° |
| C16 | C17 | O1 | 116.9° | 120.0° |
| C16 | C17 | C18 | 118.5° | 120.1° |
| C17 | C16 | H6 | 119.0° | 120.1° |
| C17 | O1 | C21 | 118.8° | 117.0° |
| O1 | C17 | C18 | 124.5° | 120.0° |
| O1 | C21 | H10 | 109.5° | 109.5° |
| O1 | C21 | H11 | 109.5° | 109.5° |
| O1 | C21 | H12 | 109.5° | 109.5° |
| C15 | C20 | C19 | 120.4° | 120.0° |
| C15 | C20 | H9 | 119.8° | 120.0° |
| C17 | C18 | C19 | 120.4° | 120.2° |
| C17 | C18 | H7 | 119.8° | 119.9° |
| C20 | C19 | C18 | 120.2° | 120.2° |
| C20 | C19 | H8 | 119.9° | 119.9° |
| C19 | C20 | H9 | 119.8° | 120.0° |
| C19 | C18 | H7 | 119.8° | 119.9° |
| C18 | C19 | H8 | 119.9° | 119.9° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H10 | C21 | H12 | 109.5° | 109.4° |
| H11 | C21 | H12 | 109.4° | 109.5° |
| H13 | C22 | H14 | 109.5° | 109.4° |
| H16 | C24 | H17 | 109.5° | 109.5° |
| H18 | C25 | H19 | 109.5° | 109.4° |
| H20 | C26 | H21 | 109.5° | 109.5° |
| H22 | C27 | H23 | 109.5° | 109.5° |
| H24 | C28 | H25 | 109.5° | 109.4° |
| H28 | C9 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C23 | H16 | 120.4° | 120.0° |
| C25 | C24 | C23 | H17 | 120.4° | 120.0° |
| C24 | C25 | C26 | H18 | 120.2° | 120.0° |
| C24 | C25 | C26 | H19 | 120.2° | 120.0° |
| C25 | C24 | C23 | C22 | 177.9° | 180.0° |
| C25 | C24 | C23 | C28 | 55.3° | 60.0° |
| C24 | C25 | C26 | C27 | 57.0° | 60.0° |
| C25 | C24 | C23 | H15 | 63.2° | 60.0° |
| C25 | C24 | H16 | H17 | 118.8° | 120.0° |
| C24 | C25 | H18 | H19 | 119.4° | 120.0° |
| C24 | C25 | C26 | H20 | 177.1° | 180.0° |
| C24 | C25 | C26 | H21 | 63.1° | 60.0° |
| C24 | C23 | C22 | N2 | 68.6° | 65.0° |
| C23 | C24 | C25 | C26 | 57.2° | 60.0° |
| C24 | C23 | C22 | C28 | 121.6° | 120.0° |
| C24 | C23 | C22 | H15 | 118.9° | 120.0° |
| C24 | C23 | C28 | H15 | 118.5° | 120.1° |
| C24 | C23 | C28 | C27 | 55.1° | 60.0° |
| C24 | C23 | C22 | H13 | 51.4° | 175.0° |
| C24 | C23 | C22 | H14 | 171.3° | 55.1° |
| C23 | C24 | H16 | H17 | 118.8° | 120.0° |
| C23 | C24 | C25 | H18 | 63.0° | 60.0° |
| C23 | C24 | C25 | H19 | 177.3° | 180.0° |
| C24 | C23 | C28 | H24 | 65.3° | 60.0° |
| C24 | C23 | C28 | H25 | 175.4° | 180.0° |
| C9 | N2 | C22 | H30 | 120.0° | 124.0° |
| N2 | C9 | C8 | H28 | 121.1° | 120.0° |
| N2 | C9 | C8 | H29 | 121.1° | 120.0° |
| C9 | N2 | C22 | C23 | 111.7° | 180.0° |
| N2 | C9 | C8 | C5 | 57.6° | 80.0° |
| N2 | C9 | C8 | C7 | 122.7° | 100.0° |
| C9 | N2 | C22 | H13 | 128.2° | 60.0° |
| C9 | N2 | C22 | H14 | 8.4° | 60.0° |
| N2 | C9 | H28 | H29 | 116.6° | 120.0° |
| C22 | N2 | C9 | C8 | 72.7° | 180.0° |
| N2 | C22 | C23 | H13 | 120.1° | 120.0° |
| N2 | C22 | C23 | H14 | 120.1° | 120.1° |
| N2 | C22 | C23 | C28 | 169.8° | 175.0° |
| N2 | C22 | H13 | H14 | 119.7° | 120.0° |
| N2 | C22 | C23 | H15 | 50.2° | 55.0° |
| C22 | N2 | C9 | H28 | 48.4° | 60.0° |
| C22 | N2 | C9 | H29 | 166.3° | 60.0° |
| C25 | C26 | C27 | H20 | 120.1° | 120.0° |
| C25 | C26 | C27 | H21 | 120.1° | 120.0° |
| C25 | C26 | C27 | C28 | 56.9° | 60.0° |
| C26 | C25 | C24 | H16 | 63.2° | 180.0° |
| C26 | C25 | C24 | H17 | 177.6° | 60.0° |
| C26 | C25 | H18 | H19 | 119.4° | 119.9° |
| C25 | C26 | H20 | H21 | 119.7° | 120.0° |
| C25 | C26 | C27 | H22 | 63.3° | 60.0° |
| C25 | C26 | C27 | H23 | 177.1° | 180.0° |
| C2 | C1 | C5 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C2 | C1 | C5 | C8 | 179.7° | 180.0° |
| C2 | C1 | C5 | C6 | 0.1° | 0.0° |
| C1 | C2 | C3 | F1 | 179.6° | 180.0° |
| C1 | C2 | C3 | C4 | 0.5° | 0.0° |
| C5 | C1 | C2 | C3 | 0.5° | 0.0° |
| C1 | C5 | C8 | C9 | 0.1° | 0.0° |
| C1 | C5 | C8 | C6 | 179.9° | 180.0° |
| C1 | C5 | C8 | C7 | 179.9° | 180.0° |
| C1 | C5 | C6 | C4 | 0.2° | 0.0° |
| C1 | C5 | C6 | N1 | 179.8° | 180.0° |
| C5 | C1 | C2 | H2 | 179.5° | 180.0° |
| C2 | C3 | F1 | C4 | 179.9° | 180.0° |
| C2 | C3 | C4 | C6 | 0.1° | 0.0° |
| C3 | C2 | C1 | H1 | 179.5° | 179.7° |
| C2 | C3 | C4 | H26 | 179.9° | 180.0° |
| C9 | C8 | C5 | C7 | 179.8° | 180.0° |
| C9 | C8 | C5 | C6 | 180.0° | 180.0° |
| C9 | C8 | C7 | N1 | 179.8° | 180.0° |
| C9 | C8 | C7 | H27 | 0.2° | 0.0° |
| C8 | C9 | H28 | H29 | 116.6° | 120.0° |
| C8 | C9 | N2 | H30 | 47.3° | 56.0° |
| C22 | C23 | C28 | H15 | 119.6° | 120.0° |
| C22 | C23 | C28 | C27 | 177.0° | 180.0° |
| C23 | C22 | H13 | H14 | 119.7° | 120.0° |
| C22 | C23 | C24 | H16 | 57.5° | 60.0° |
| C22 | C23 | C24 | H17 | 61.7° | 60.0° |
| C22 | C23 | C28 | H24 | 56.6° | 60.0° |
| C22 | C23 | C28 | H25 | 62.7° | 60.0° |
| C23 | C22 | N2 | H30 | 8.3° | 56.0° |
| C23 | C28 | C27 | C26 | 56.8° | 60.0° |
| C23 | C28 | C27 | H24 | 120.4° | 120.0° |
| C23 | C28 | C27 | H25 | 120.4° | 120.0° |
| C28 | C23 | C22 | H13 | 70.1° | 55.0° |
| C28 | C23 | C22 | H14 | 49.7° | 64.9° |
| C28 | C23 | C24 | H16 | 65.1° | 180.0° |
| C28 | C23 | C24 | H17 | 175.7° | 60.0° |
| C23 | C28 | C27 | H22 | 63.4° | 60.0° |
| C23 | C28 | C27 | H23 | 177.0° | 180.0° |
| C23 | C28 | H24 | H25 | 118.9° | 119.9° |
| C8 | C5 | C6 | C4 | 179.9° | 180.0° |
| C8 | C5 | C6 | N1 | 0.3° | 0.0° |
| C5 | C8 | C7 | N1 | 0.0° | 0.0° |
| C8 | C5 | C1 | H1 | 0.3° | 0.3° |
| C5 | C8 | C7 | H27 | 180.0° | 179.9° |
| C5 | C8 | C9 | H28 | 178.7° | 160.0° |
| C5 | C8 | C9 | H29 | 63.5° | 40.0° |
| C5 | C6 | C4 | C3 | 0.2° | 0.0° |
| C6 | C5 | C8 | C7 | 0.2° | 0.0° |
| C5 | C6 | C4 | N1 | 179.4° | 180.0° |
| C5 | C6 | N1 | C7 | 0.3° | 0.0° |
| C5 | C6 | N1 | C10 | 179.4° | 180.0° |
| C6 | C5 | C1 | H1 | 179.9° | 179.7° |
| C5 | C6 | C4 | H26 | 179.8° | 180.0° |
| C26 | C27 | C28 | H22 | 120.2° | 120.0° |
| C26 | C27 | C28 | H23 | 120.2° | 120.0° |
| C27 | C26 | C25 | H18 | 63.2° | 60.0° |
| C27 | C26 | C25 | H19 | 177.2° | 180.0° |
| C27 | C26 | H20 | H21 | 119.7° | 120.0° |
| C26 | C27 | H22 | H23 | 119.4° | 120.0° |
| C26 | C27 | C28 | H24 | 63.6° | 60.0° |
| C26 | C27 | C28 | H25 | 177.2° | 180.0° |
| F1 | C3 | C4 | C6 | 180.0° | 180.0° |
| F1 | C3 | C2 | H2 | 0.4° | 0.0° |
| F1 | C3 | C4 | H26 | 0.0° | 0.0° |
| C3 | C4 | C6 | H26 | 180.0° | 180.0° |
| C3 | C4 | C6 | N1 | 179.6° | 180.0° |
| C4 | C3 | C2 | H2 | 179.5° | 180.0° |
| C8 | C7 | N1 | C6 | 0.2° | 0.0° |
| C8 | C7 | N1 | H27 | 180.0° | 179.9° |
| C8 | C7 | N1 | C10 | 179.3° | 180.0° |
| C7 | C8 | C9 | H28 | 1.6° | 20.0° |
| C7 | C8 | C9 | H29 | 116.2° | 140.0° |
| C27 | C28 | C23 | H15 | 63.4° | 60.0° |
| C28 | C27 | C26 | H20 | 177.0° | 180.0° |
| C28 | C27 | C26 | H21 | 63.2° | 60.0° |
| C28 | C27 | H22 | H23 | 119.3° | 120.0° |
| C27 | C28 | H24 | H25 | 118.9° | 120.0° |
| C4 | C6 | N1 | C7 | 179.8° | 180.0° |
| C4 | C6 | N1 | C10 | 1.1° | 0.0° |
| C6 | N1 | C7 | C10 | 179.1° | 180.0° |
| C6 | N1 | C10 | C11 | 122.1° | 50.0° |
| C6 | N1 | C10 | C14 | 58.2° | 130.0° |
| N1 | C6 | C4 | H26 | 0.4° | 0.0° |
| C6 | N1 | C7 | H27 | 179.8° | 180.0° |
| C7 | N1 | C10 | C11 | 59.0° | 129.9° |
| C7 | N1 | C10 | C14 | 120.7° | 50.0° |
| N1 | C10 | C11 | C14 | 179.7° | 179.9° |
| N1 | C10 | C11 | C12 | 179.7° | 180.0° |
| N1 | C10 | C14 | C13 | 179.9° | 179.5° |
| N1 | C10 | C11 | H3 | 0.3° | 0.3° |
| N1 | C10 | C14 | H5 | 0.1° | 0.2° |
| C10 | N1 | C7 | H27 | 0.7° | 0.1° |
| C10 | C11 | C12 | H3 | 180.0° | 179.7° |
| C11 | C10 | C14 | C13 | 0.3° | 0.4° |
| C10 | C11 | C12 | N3 | 0.1° | 0.3° |
| C10 | C11 | C12 | H4 | 179.8° | 179.8° |
| C11 | C10 | C14 | H5 | 179.7° | 179.7° |
| C14 | C10 | C11 | C12 | 0.0° | 0.1° |
| C10 | C14 | C13 | H5 | 180.0° | 179.3° |
| C10 | C14 | C13 | N3 | 0.6° | 0.7° |
| C10 | C14 | C13 | C15 | 179.7° | 179.8° |
| C14 | C10 | C11 | H3 | 180.0° | 179.8° |
| C11 | C12 | N3 | H4 | 180.0° | 179.9° |
| C11 | C12 | N3 | C13 | 0.1° | 0.0° |
| C14 | C13 | N3 | C12 | 0.5° | 0.5° |
| C14 | C13 | N3 | C15 | 179.1° | 179.5° |
| C14 | C13 | C15 | C16 | 1.9° | 174.2° |
| C14 | C13 | C15 | C20 | 179.0° | 5.4° |
| C12 | N3 | C13 | C15 | 179.6° | 180.0° |
| N3 | C12 | C11 | H3 | 179.9° | 180.0° |
| N3 | C13 | C15 | C16 | 177.3° | 5.3° |
| N3 | C13 | C15 | C20 | 1.9° | 175.0° |
| C13 | N3 | C12 | H4 | 179.9° | 179.9° |
| N3 | C13 | C14 | H5 | 179.4° | 180.0° |
| C13 | C15 | C16 | C20 | 179.2° | 179.6° |
| C13 | C15 | C16 | C17 | 179.6° | 180.0° |
| C13 | C15 | C20 | C19 | 179.5° | 179.7° |
| C15 | C13 | C14 | H5 | 0.3° | 0.4° |
| C13 | C15 | C16 | H6 | 0.4° | 0.1° |
| C13 | C15 | C20 | H9 | 0.5° | 0.1° |
| C15 | C16 | C17 | H6 | 180.0° | 179.9° |
| C15 | C16 | C17 | O1 | 179.9° | 179.9° |
| C15 | C16 | C17 | C18 | 0.3° | 0.1° |
| C16 | C15 | C20 | C19 | 0.3° | 0.6° |
| C16 | C15 | C20 | H9 | 179.7° | 179.7° |
| C16 | C17 | O1 | C18 | 179.9° | 180.0° |
| C16 | C17 | O1 | C21 | 179.4° | 180.0° |
| C17 | C16 | C15 | C20 | 0.4° | 0.4° |
| C16 | C17 | C18 | C19 | 0.0° | 0.0° |
| C16 | C17 | C18 | H7 | 180.0° | 180.0° |
| O1 | C17 | C18 | C19 | 179.9° | 180.0° |
| O1 | C17 | C16 | H6 | 0.1° | 0.0° |
| O1 | C17 | C18 | H7 | 0.1° | 0.0° |
| C17 | O1 | C21 | H10 | 180.0° | 180.0° |
| C17 | O1 | C21 | H11 | 60.0° | 60.0° |
| C17 | O1 | C21 | H12 | 60.0° | 60.0° |
| C21 | O1 | C17 | C18 | 0.5° | 0.0° |
| O1 | C21 | H10 | H11 | 120.0° | 120.1° |
| O1 | C21 | H10 | H12 | 120.0° | 120.0° |
| O1 | C21 | H11 | H12 | 120.0° | 120.0° |
| C15 | C20 | C19 | H9 | 180.0° | 179.7° |
| C15 | C20 | C19 | C18 | 0.1° | 0.6° |
| C20 | C15 | C16 | H6 | 179.6° | 179.7° |
| C15 | C20 | C19 | H8 | 179.9° | 179.7° |
| C17 | C18 | C19 | C20 | 0.0° | 0.3° |
| C17 | C18 | C19 | H7 | 180.0° | 180.0° |
| C18 | C17 | C16 | H6 | 179.7° | 180.0° |
| C17 | C18 | C19 | H8 | 179.9° | 180.0° |
| C20 | C19 | C18 | H8 | 180.0° | 179.7° |
| C20 | C19 | C18 | H7 | 179.9° | 179.7° |
| C18 | C19 | C20 | H9 | 179.9° | 179.7° |
| H1 | C1 | C2 | H2 | 0.5° | 0.3° |
| H3 | C11 | C12 | H4 | 0.1° | 0.1° |
| H7 | C18 | C19 | H8 | 0.1° | 0.1° |
| H8 | C19 | C20 | H9 | 0.1° | 0.1° |
| H10 | C21 | H11 | H12 | 120.0° | 119.9° |
| H13 | C22 | C23 | H15 | 170.3° | 65.0° |
| H13 | C22 | N2 | H30 | 111.8° | 64.0° |
| H14 | C22 | C23 | H15 | 69.8° | 175.1° |
| H14 | C22 | N2 | H30 | 128.4° | 176.1° |
| H15 | C23 | C24 | H16 | 176.4° | 60.0° |
| H15 | C23 | C24 | H17 | 57.2° | 180.0° |
| H15 | C23 | C28 | H24 | 176.2° | 179.9° |
| H15 | C23 | C28 | H25 | 56.9° | 60.0° |
| H16 | C24 | C25 | H18 | 176.6° | 60.0° |
| H16 | C24 | C25 | H19 | 56.9° | 60.0° |
| H17 | C24 | C25 | H18 | 57.4° | 180.0° |
| H17 | C24 | C25 | H19 | 62.3° | 60.0° |
| H18 | C25 | C26 | H20 | 56.9° | 60.0° |
| H18 | C25 | C26 | H21 | 176.7° | 180.0° |
| H19 | C25 | C26 | H20 | 62.7° | 60.0° |
| H19 | C25 | C26 | H21 | 57.1° | 60.1° |
| H20 | C26 | C27 | H22 | 56.8° | 60.0° |
| H20 | C26 | C27 | H23 | 62.8° | 60.0° |
| H21 | C26 | C27 | H22 | 176.6° | 180.0° |
| H21 | C26 | C27 | H23 | 57.0° | 60.0° |
| H22 | C27 | C28 | H24 | 176.2° | 180.0° |
| H22 | C27 | C28 | H25 | 56.9° | 59.9° |
| H23 | C27 | C28 | H24 | 56.6° | 60.0° |
| H23 | C27 | C28 | H25 | 62.6° | 60.0° |
| H28 | C9 | N2 | H30 | 168.4° | 176.1° |
| H29 | C9 | N2 | H30 | 73.8° | 63.9° |
