S56
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | C24 | sing | 1.53Å | 1.52Å | |
| C22 | N4 | sing | 1.47Å | 1.47Å | |
| N4 | C21 | sing | 1.35Å | 1.34Å | |
| C26 | O2 | sing | 1.43Å | 1.41Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C27 | O2 | sing | 1.43Å | 1.42Å | |
| C25 | N5 | sing | 1.47Å | 1.48Å | |
| C21 | O1 | doub | 1.21Å | 1.23Å | |
| C21 | C19 | sing | 1.51Å | 1.53Å | |
| C19 | C20 | sing | 1.47Å | 1.47Å | |
| C19 | C18 | sing | 1.53Å | 1.55Å | |
| N5 | C2 | sing | 1.37Å | 1.39Å | Aromatic |
| N5 | C17 | sing | 1.37Å | 1.38Å | Aromatic |
| N2 | C2 | doub | 1.33Å | 1.34Å | Aromatic |
| N2 | C1 | sing | 1.32Å | 1.33Å | Aromatic |
| C20 | N3 | trip | 1.14Å | 1.14Å | |
| C2 | C3 | sing | 1.41Å | 1.41Å | Aromatic |
| C1 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.56Å | |
| C17 | C4 | doub | 1.36Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.47Å | 1.45Å | Aromatic |
| C3 | C | doub | 1.40Å | 1.42Å | Aromatic |
| N1 | C | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.49Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C | N | sing | 1.38Å | 1.34Å | |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | O | sing | 1.36Å | 1.40Å | |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | O | sing | 1.36Å | 1.40Å | |
| C9 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| N4 | H1 | sing | 0.97Å | 1.00Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.08Å | 1.08Å | |
| N | H20 | sing | 0.97Å | 1.00Å | |
| N | H21 | sing | 0.97Å | 1.00Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C15 | H23 | sing | 1.08Å | 1.08Å | |
| C7 | H24 | sing | 1.08Å | 1.08Å | |
| C6 | H25 | sing | 1.08Å | 1.08Å | |
| C14 | H26 | sing | 1.08Å | 1.08Å | |
| C13 | H27 | sing | 1.08Å | 1.08Å | |
| C12 | H28 | sing | 1.08Å | 1.08Å | |
| C11 | H29 | sing | 1.08Å | 1.08Å | |
| C10 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C24 | 112.4° | 109.5° |
| C23 | C22 | N4 | 110.4° | 109.5° |
| C23 | C22 | H2 | 107.3° | 109.5° |
| C22 | C23 | H6 | 109.5° | 109.4° |
| C22 | C23 | H7 | 109.5° | 109.5° |
| C22 | C23 | H8 | 109.5° | 109.5° |
| C24 | C22 | N4 | 111.1° | 109.5° |
| C24 | C22 | H2 | 107.3° | 109.5° |
| C22 | C24 | H3 | 109.5° | 109.5° |
| C22 | C24 | H4 | 109.5° | 109.4° |
| C22 | C24 | H5 | 109.5° | 109.4° |
| C22 | N4 | C21 | 124.4° | 120.0° |
| C22 | N4 | H1 | 117.8° | 120.0° |
| N4 | C22 | H2 | 107.9° | 109.5° |
| N4 | C21 | O1 | 123.2° | 120.0° |
| N4 | C21 | C19 | 115.3° | 120.0° |
| C21 | N4 | H1 | 117.8° | 120.0° |
| O2 | C26 | C25 | 109.1° | 109.5° |
| C26 | O2 | C27 | 114.4° | 114.0° |
| O2 | C26 | H14 | 109.6° | 109.4° |
| O2 | C26 | H15 | 109.6° | 109.5° |
| C26 | C25 | N5 | 119.3° | 109.5° |
| C26 | C25 | H12 | 106.9° | 109.5° |
| C26 | C25 | H13 | 107.0° | 109.5° |
| C25 | C26 | H14 | 109.6° | 109.5° |
| C25 | C26 | H15 | 109.6° | 109.5° |
| O2 | C27 | H16 | 109.5° | 109.5° |
| O2 | C27 | H17 | 109.5° | 109.5° |
| O2 | C27 | H18 | 109.5° | 109.5° |
| C25 | N5 | C2 | 127.2° | 124.8° |
| C25 | N5 | C17 | 124.4° | 124.9° |
| N5 | C25 | H12 | 107.0° | 109.5° |
| N5 | C25 | H13 | 106.9° | 109.5° |
| O1 | C21 | C19 | 121.4° | 120.0° |
| C21 | C19 | C20 | 111.9° | 109.5° |
| C21 | C19 | C18 | 113.0° | 109.5° |
| C21 | C19 | H9 | 107.2° | 109.5° |
| C20 | C19 | C18 | 109.6° | 109.4° |
| C19 | C20 | N3 | 177.6° | 179.9° |
| C20 | C19 | H9 | 107.9° | 109.5° |
| C19 | C18 | C17 | 109.5° | 109.5° |
| C18 | C19 | H9 | 106.9° | 109.5° |
| C19 | C18 | H10 | 109.5° | 109.5° |
| C19 | C18 | H11 | 109.5° | 109.5° |
| C2 | N5 | C17 | 106.4° | 110.3° |
| N5 | C2 | N2 | 125.7° | 134.1° |
| N5 | C2 | C3 | 108.5° | 107.4° |
| N5 | C17 | C18 | 122.7° | 125.2° |
| N5 | C17 | C4 | 109.7° | 109.6° |
| C2 | N2 | C1 | 112.6° | 120.7° |
| N2 | C2 | C3 | 125.8° | 118.5° |
| N2 | C1 | N1 | 128.5° | 122.7° |
| N2 | C1 | H19 | 115.8° | 118.6° |
| C2 | C3 | C4 | 105.8° | 106.2° |
| C2 | C3 | C | 115.2° | 118.7° |
| C1 | N1 | C | 118.4° | 121.0° |
| N1 | C1 | H19 | 115.7° | 118.7° |
| C18 | C17 | C4 | 127.1° | 125.2° |
| C17 | C18 | H10 | 109.4° | 109.5° |
| C17 | C18 | H11 | 109.5° | 109.5° |
| C17 | C4 | C3 | 106.3° | 106.5° |
| C17 | C4 | C5 | 127.0° | 126.8° |
| C4 | C3 | C | 138.4° | 135.1° |
| C3 | C4 | C5 | 126.6° | 126.7° |
| C3 | C | N1 | 119.4° | 118.3° |
| C3 | C | N | 123.4° | 120.8° |
| N1 | C | N | 117.1° | 120.9° |
| C4 | C5 | C6 | 121.0° | 120.1° |
| C4 | C5 | C16 | 120.4° | 120.1° |
| C7 | C6 | C5 | 120.8° | 119.9° |
| C6 | C7 | C8 | 119.8° | 120.0° |
| C6 | C7 | H24 | 120.1° | 120.0° |
| C7 | C6 | H25 | 119.6° | 120.0° |
| C6 | C5 | C16 | 118.6° | 119.9° |
| C5 | C6 | H25 | 119.6° | 120.0° |
| C | N | H20 | 109.5° | 120.0° |
| C | N | H21 | 109.5° | 120.0° |
| C7 | C8 | C15 | 119.8° | 120.2° |
| C7 | C8 | O | 126.3° | 119.9° |
| C8 | C7 | H24 | 120.1° | 120.0° |
| C5 | C16 | C15 | 121.0° | 119.9° |
| C5 | C16 | H22 | 119.5° | 120.0° |
| C10 | C11 | C12 | 120.6° | 120.0° |
| C11 | C10 | C9 | 119.2° | 119.9° |
| C10 | C11 | H29 | 119.7° | 119.9° |
| C11 | C10 | H30 | 120.4° | 120.1° |
| C11 | C12 | C13 | 119.9° | 120.2° |
| C11 | C12 | H28 | 120.1° | 119.9° |
| C12 | C11 | H29 | 119.7° | 120.0° |
| C10 | C9 | O | 124.4° | 120.0° |
| C10 | C9 | C14 | 120.4° | 119.9° |
| C9 | C10 | H30 | 120.4° | 120.0° |
| C12 | C13 | C14 | 120.5° | 120.0° |
| C12 | C13 | H27 | 119.8° | 120.0° |
| C13 | C12 | H28 | 120.0° | 120.0° |
| C15 | C8 | O | 113.8° | 119.9° |
| C8 | C15 | C16 | 120.0° | 120.0° |
| C8 | C15 | H23 | 120.0° | 120.0° |
| C8 | O | C9 | 123.3° | 118.0° |
| C15 | C16 | H22 | 119.5° | 120.1° |
| C16 | C15 | H23 | 120.0° | 120.0° |
| O | C9 | C14 | 115.2° | 120.1° |
| C9 | C14 | C13 | 119.5° | 120.0° |
| C9 | C14 | H26 | 120.3° | 120.0° |
| C13 | C14 | H26 | 120.2° | 120.0° |
| C14 | C13 | H27 | 119.8° | 120.0° |
| H3 | C24 | H4 | 109.4° | 109.5° |
| H3 | C24 | H5 | 109.4° | 109.5° |
| H4 | C24 | H5 | 109.5° | 109.5° |
| H6 | C23 | H7 | 109.5° | 109.5° |
| H6 | C23 | H8 | 109.4° | 109.4° |
| H7 | C23 | H8 | 109.4° | 109.5° |
| H10 | C18 | H11 | 109.5° | 109.4° |
| H12 | C25 | H13 | 109.5° | 109.5° |
| H14 | C26 | H15 | 109.5° | 109.5° |
| H16 | C27 | H17 | 109.4° | 109.4° |
| H16 | C27 | H18 | 109.5° | 109.4° |
| H17 | C27 | H18 | 109.5° | 109.5° |
| H20 | N | H21 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C24 | N4 | 124.4° | 120.0° |
| C23 | C22 | C24 | H2 | 117.8° | 120.0° |
| C23 | C22 | N4 | H2 | 117.1° | 120.0° |
| C23 | C22 | N4 | C21 | 69.0° | 155.0° |
| C23 | C22 | N4 | H1 | 111.0° | 25.0° |
| C23 | C22 | C24 | H3 | 180.0° | 60.0° |
| C23 | C22 | C24 | H4 | 60.0° | 60.0° |
| C23 | C22 | C24 | H5 | 60.0° | 180.0° |
| C22 | C23 | H6 | H7 | 120.0° | 120.0° |
| C22 | C23 | H6 | H8 | 120.0° | 120.0° |
| C22 | C23 | H7 | H8 | 120.0° | 120.0° |
| C24 | C22 | N4 | H2 | 117.4° | 120.0° |
| C24 | C22 | N4 | C21 | 56.5° | 85.0° |
| C24 | C22 | N4 | H1 | 123.5° | 95.0° |
| C22 | C24 | H3 | H4 | 120.0° | 120.0° |
| C22 | C24 | H3 | H5 | 120.0° | 120.0° |
| C22 | C24 | H4 | H5 | 120.0° | 119.9° |
| C24 | C22 | C23 | H6 | 180.0° | 60.0° |
| C24 | C22 | C23 | H7 | 60.0° | 180.0° |
| C24 | C22 | C23 | H8 | 60.0° | 60.0° |
| C22 | N4 | C21 | H1 | 180.0° | 180.0° |
| C22 | N4 | C21 | O1 | 57.2° | 0.0° |
| C22 | N4 | C21 | C19 | 126.9° | 179.7° |
| N4 | C22 | C24 | H3 | 55.6° | 60.0° |
| N4 | C22 | C24 | H4 | 64.4° | 180.0° |
| N4 | C22 | C24 | H5 | 175.6° | 60.0° |
| N4 | C22 | C23 | H6 | 55.2° | 60.0° |
| N4 | C22 | C23 | H7 | 175.3° | 60.0° |
| N4 | C22 | C23 | H8 | 64.8° | 180.0° |
| N4 | C21 | O1 | C19 | 175.7° | 179.7° |
| N4 | C21 | C19 | C20 | 91.4° | 60.3° |
| N4 | C21 | C19 | C18 | 144.2° | 179.7° |
| C21 | N4 | C22 | H2 | 173.9° | 35.0° |
| N4 | C21 | C19 | H9 | 26.7° | 59.7° |
| O2 | C26 | C25 | H14 | 119.9° | 120.0° |
| O2 | C26 | C25 | H15 | 119.9° | 120.0° |
| O2 | C26 | C25 | N5 | 67.2° | 180.0° |
| O2 | C26 | C25 | H12 | 54.2° | 60.0° |
| O2 | C26 | C25 | H13 | 171.4° | 60.0° |
| O2 | C26 | H14 | H15 | 120.2° | 120.0° |
| C26 | O2 | C27 | H16 | 180.0° | 60.0° |
| C26 | O2 | C27 | H17 | 60.0° | 180.0° |
| C26 | O2 | C27 | H18 | 60.0° | 60.0° |
| C25 | C26 | O2 | C27 | 161.1° | 180.0° |
| C26 | C25 | N5 | H12 | 121.4° | 120.0° |
| C26 | C25 | N5 | H13 | 121.4° | 120.0° |
| C26 | C25 | N5 | C2 | 10.4° | 90.0° |
| C26 | C25 | N5 | C17 | 172.6° | 90.0° |
| C26 | C25 | H12 | H13 | 115.6° | 120.0° |
| C25 | C26 | H14 | H15 | 120.2° | 120.0° |
| C27 | O2 | C26 | H14 | 79.0° | 60.0° |
| C27 | O2 | C26 | H15 | 41.1° | 60.0° |
| O2 | C27 | H16 | H17 | 120.0° | 120.1° |
| O2 | C27 | H16 | H18 | 120.0° | 120.0° |
| O2 | C27 | H17 | H18 | 120.0° | 120.1° |
| C25 | N5 | C2 | C17 | 164.7° | 179.9° |
| C25 | N5 | C2 | N2 | 31.4° | 0.0° |
| C25 | N5 | C2 | C3 | 147.8° | 180.0° |
| C25 | N5 | C17 | C18 | 25.6° | 0.1° |
| C25 | N5 | C17 | C4 | 147.1° | 179.7° |
| N5 | C25 | H12 | H13 | 115.5° | 120.0° |
| N5 | C25 | C26 | H14 | 172.8° | 60.0° |
| N5 | C25 | C26 | H15 | 52.7° | 60.0° |
| O1 | C21 | C19 | C20 | 92.6° | 120.0° |
| O1 | C21 | C19 | C18 | 31.8° | 0.0° |
| O1 | C21 | N4 | H1 | 122.8° | 180.0° |
| O1 | C21 | C19 | H9 | 149.3° | 120.0° |
| C21 | C19 | C20 | C18 | 126.2° | 120.0° |
| C21 | C19 | C20 | H9 | 117.7° | 120.1° |
| C21 | C19 | C18 | H9 | 117.7° | 120.1° |
| C21 | C19 | C20 | N3 | 147.2° | 93.5° |
| C21 | C19 | C18 | C17 | 118.0° | 175.0° |
| C19 | C21 | N4 | H1 | 53.1° | 0.3° |
| C21 | C19 | C18 | H10 | 2.0° | 55.0° |
| C21 | C19 | C18 | H11 | 122.0° | 64.9° |
| C20 | C19 | C18 | H9 | 116.7° | 120.0° |
| C20 | C19 | C18 | C17 | 116.4° | 65.0° |
| C20 | C19 | C18 | H10 | 123.6° | 175.0° |
| C20 | C19 | C18 | H11 | 3.6° | 55.0° |
| C19 | C18 | C17 | N5 | 82.5° | 90.2° |
| C18 | C19 | C20 | N3 | 86.7° | 146.5° |
| C19 | C18 | C17 | H10 | 120.0° | 120.0° |
| C19 | C18 | C17 | H11 | 120.0° | 120.0° |
| C19 | C18 | C17 | C4 | 88.9° | 90.0° |
| C19 | C18 | H10 | H11 | 120.0° | 120.0° |
| N5 | C2 | N2 | C3 | 179.1° | 180.0° |
| N5 | C2 | N2 | C1 | 178.1° | 180.0° |
| C2 | N5 | C17 | C18 | 169.1° | 180.0° |
| C2 | N5 | C17 | C4 | 18.1° | 0.3° |
| N5 | C2 | C3 | C4 | 9.5° | 0.3° |
| N5 | C2 | C3 | C | 177.5° | 180.0° |
| C2 | N5 | C25 | H12 | 131.8° | 150.0° |
| C2 | N5 | C25 | H13 | 111.0° | 30.0° |
| C17 | N5 | C2 | N2 | 163.9° | 180.0° |
| C17 | N5 | C2 | C3 | 16.9° | 0.0° |
| N5 | C17 | C18 | C4 | 171.4° | 179.7° |
| N5 | C17 | C4 | C3 | 12.1° | 0.4° |
| N5 | C17 | C4 | C5 | 166.6° | 179.7° |
| N5 | C17 | C18 | H10 | 37.5° | 29.8° |
| N5 | C17 | C18 | H11 | 157.4° | 149.7° |
| C17 | N5 | C25 | H12 | 66.0° | 30.0° |
| C17 | N5 | C25 | H13 | 51.2° | 149.9° |
| C2 | N2 | C1 | N1 | 0.5° | 0.0° |
| N2 | C2 | C3 | C4 | 171.3° | 179.7° |
| N2 | C2 | C3 | C | 1.7° | 0.0° |
| C2 | N2 | C1 | H19 | 179.5° | 180.0° |
| C1 | N2 | C2 | C3 | 1.0° | 0.0° |
| N2 | C1 | N1 | H19 | 180.0° | 180.0° |
| N2 | C1 | N1 | C | 1.2° | 0.1° |
| N3 | C20 | C19 | H9 | 29.5° | 26.5° |
| C2 | C3 | C4 | C17 | 1.5° | 0.4° |
| C2 | C3 | C4 | C | 170.5° | 179.7° |
| C2 | C3 | C | N1 | 1.0° | 0.0° |
| C2 | C3 | C4 | C5 | 177.3° | 179.7° |
| C2 | C3 | C | N | 180.0° | 180.0° |
| C1 | N1 | C | C3 | 0.3° | 0.1° |
| C1 | N1 | C | N | 178.8° | 180.0° |
| C18 | C17 | C4 | C3 | 175.5° | 179.8° |
| C18 | C17 | C4 | C5 | 5.7° | 0.0° |
| C17 | C18 | C19 | H9 | 0.3° | 55.0° |
| C17 | C18 | H10 | H11 | 120.0° | 120.0° |
| C17 | C4 | C3 | C5 | 178.8° | 179.9° |
| C17 | C4 | C3 | C | 169.0° | 179.9° |
| C17 | C4 | C5 | C6 | 65.4° | 65.3° |
| C17 | C4 | C5 | C16 | 114.8° | 115.0° |
| C4 | C17 | C18 | H10 | 151.1° | 149.9° |
| C4 | C17 | C18 | H11 | 31.1° | 30.0° |
| C4 | C3 | C | N1 | 168.9° | 179.7° |
| C3 | C4 | C5 | C6 | 113.1° | 114.9° |
| C4 | C3 | C | N | 10.2° | 0.3° |
| C3 | C4 | C5 | C16 | 66.6° | 64.9° |
| C3 | C | N1 | N | 179.1° | 180.0° |
| C | C3 | C4 | C5 | 12.3° | 0.1° |
| C3 | C | N | H20 | 179.1° | 180.0° |
| C3 | C | N | H21 | 59.1° | 0.0° |
| C | N1 | C1 | H19 | 178.8° | 180.0° |
| N1 | C | N | H20 | 0.0° | 0.0° |
| N1 | C | N | H21 | 120.0° | 180.0° |
| C4 | C5 | C6 | C7 | 179.3° | 179.7° |
| C4 | C5 | C6 | C16 | 179.7° | 179.8° |
| C4 | C5 | C16 | C15 | 179.9° | 180.0° |
| C4 | C5 | C16 | H22 | 0.1° | 0.0° |
| C4 | C5 | C6 | H25 | 0.7° | 0.3° |
| C7 | C6 | C5 | H25 | 180.0° | 179.4° |
| C6 | C7 | C8 | H24 | 180.0° | 179.6° |
| C7 | C6 | C5 | C16 | 1.0° | 0.5° |
| C6 | C7 | C8 | C15 | 0.3° | 0.4° |
| C6 | C7 | C8 | O | 176.6° | 179.7° |
| C5 | C6 | C7 | C8 | 0.8° | 0.6° |
| C6 | C5 | C16 | C15 | 0.1° | 0.2° |
| C6 | C5 | C16 | H22 | 179.9° | 179.7° |
| C5 | C6 | C7 | H24 | 179.2° | 179.8° |
| C | N | H20 | H21 | 120.1° | 180.0° |
| C7 | C8 | C15 | O | 177.3° | 179.9° |
| C7 | C8 | C15 | C16 | 1.2° | 0.1° |
| C7 | C8 | O | C9 | 35.2° | 67.4° |
| C7 | C8 | C15 | H23 | 178.8° | 179.9° |
| C8 | C7 | C6 | H25 | 179.2° | 180.0° |
| C5 | C16 | C15 | C8 | 0.9° | 0.0° |
| C5 | C16 | C15 | H22 | 180.0° | 180.0° |
| C5 | C16 | C15 | H23 | 179.0° | 180.0° |
| C16 | C5 | C6 | H25 | 179.0° | 179.9° |
| C10 | C11 | C12 | H29 | 180.0° | 179.6° |
| C11 | C10 | C9 | H30 | 180.0° | 179.6° |
| C10 | C11 | C12 | C13 | 0.4° | 0.2° |
| C11 | C10 | C9 | O | 176.8° | 179.8° |
| C11 | C10 | C9 | C14 | 0.5° | 0.5° |
| C10 | C11 | C12 | H28 | 179.5° | 179.8° |
| C12 | C11 | C10 | C9 | 0.8° | 0.4° |
| C11 | C12 | C13 | H28 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.1° | 0.1° |
| C11 | C12 | C13 | H27 | 179.9° | 180.0° |
| C12 | C11 | C10 | H30 | 179.2° | 180.0° |
| C10 | C9 | O | C8 | 32.8° | 5.8° |
| C10 | C9 | O | C14 | 177.4° | 179.7° |
| C10 | C9 | C14 | C13 | 0.0° | 0.3° |
| C10 | C9 | C14 | H26 | 180.0° | 179.8° |
| C9 | C10 | C11 | H29 | 179.2° | 180.0° |
| C12 | C13 | C14 | C9 | 0.4° | 0.0° |
| C12 | C13 | C14 | H27 | 180.0° | 179.9° |
| C12 | C13 | C14 | H26 | 179.7° | 179.9° |
| C13 | C12 | C11 | H29 | 179.5° | 179.8° |
| C8 | C15 | C16 | H23 | 180.0° | 180.0° |
| C15 | C8 | O | C9 | 147.8° | 112.5° |
| C8 | C15 | C16 | H22 | 179.1° | 180.0° |
| C15 | C8 | C7 | H24 | 179.7° | 180.0° |
| O | C8 | C15 | C16 | 176.1° | 180.0° |
| C8 | O | C9 | C14 | 149.8° | 173.9° |
| O | C8 | C15 | H23 | 3.9° | 0.0° |
| O | C8 | C7 | H24 | 3.4° | 0.1° |
| O | C9 | C14 | C13 | 177.6° | 180.0° |
| O | C9 | C14 | H26 | 2.5° | 0.1° |
| O | C9 | C10 | H30 | 3.2° | 0.2° |
| C9 | C14 | C13 | H26 | 180.0° | 179.9° |
| C9 | C14 | C13 | H27 | 179.7° | 179.9° |
| C14 | C9 | C10 | H30 | 179.5° | 179.9° |
| C14 | C13 | C12 | H28 | 179.9° | 180.0° |
| H1 | N4 | C22 | H2 | 6.0° | 145.0° |
| H2 | C22 | C24 | H3 | 62.2° | 180.0° |
| H2 | C22 | C24 | H4 | 177.8° | 60.0° |
| H2 | C22 | C24 | H5 | 57.8° | 60.0° |
| H2 | C22 | C23 | H6 | 62.2° | 180.0° |
| H2 | C22 | C23 | H7 | 57.9° | 60.0° |
| H2 | C22 | C23 | H8 | 177.8° | 60.0° |
| H3 | C24 | H4 | H5 | 119.9° | 120.1° |
| H6 | C23 | H7 | H8 | 120.0° | 120.0° |
| H9 | C19 | C18 | H10 | 119.7° | 65.1° |
| H9 | C19 | C18 | H11 | 120.3° | 175.0° |
| H12 | C25 | C26 | H14 | 65.8° | 180.0° |
| H12 | C25 | C26 | H15 | 174.1° | 60.0° |
| H13 | C25 | C26 | H14 | 51.5° | 60.0° |
| H13 | C25 | C26 | H15 | 68.7° | 180.0° |
| H16 | C27 | H17 | H18 | 120.0° | 119.9° |
| H22 | C16 | C15 | H23 | 0.9° | 0.0° |
| H24 | C7 | C6 | H25 | 0.8° | 0.4° |
| H26 | C14 | C13 | H27 | 0.3° | 0.0° |
| H27 | C13 | C12 | H28 | 0.1° | 0.1° |
| H28 | C12 | C11 | H29 | 0.5° | 0.2° |
| H29 | C11 | C10 | H30 | 0.8° | 0.4° |
