7UG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| O1 | C12 | doub | 1.21Å | 1.25Å | |
| C21 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C13 | sing | 1.51Å | 1.52Å | |
| O2 | C12 | sing | 1.34Å | 1.25Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C13 | N | sing | 1.46Å | 1.47Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C | O | sing | 1.36Å | 1.37Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| N | C6 | sing | 1.47Å | 1.46Å | |
| N | C14 | sing | 1.35Å | 1.34Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C7 | O | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| O3 | C14 | doub | 1.22Å | 1.22Å | |
| C14 | C15 | sing | 1.48Å | 1.51Å | |
| C15 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C20 | sing | 1.37Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.37Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C22 | sing | 1.48Å | 1.50Å | |
| C22 | C29 | doub | 1.35Å | 1.40Å | Aromatic |
| C22 | C28 | sing | 1.40Å | 1.41Å | Aromatic |
| C29 | S | sing | 1.71Å | 1.73Å | Aromatic |
| C28 | C30 | doub | 1.33Å | 1.39Å | Aromatic |
| C30 | S | sing | 1.76Å | 1.72Å | Aromatic |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| O2 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C26 | C27 | 119.9° | 120.0° |
| C26 | C25 | C24 | 119.8° | 120.0° |
| C25 | C26 | H25 | 120.0° | 120.0° |
| C26 | C25 | H24 | 120.1° | 120.0° |
| C26 | C27 | C21 | 120.5° | 120.0° |
| C27 | C26 | H25 | 120.0° | 120.0° |
| C26 | C27 | H26 | 119.8° | 120.0° |
| C25 | C24 | C23 | 120.2° | 120.0° |
| C25 | C24 | H23 | 119.9° | 120.0° |
| C24 | C25 | H24 | 120.1° | 120.0° |
| C27 | C21 | C23 | 119.4° | 120.0° |
| C27 | C21 | C13 | 119.2° | 120.0° |
| C21 | C27 | H26 | 119.7° | 120.0° |
| C24 | C23 | C21 | 120.2° | 120.0° |
| C23 | C24 | H23 | 119.9° | 120.0° |
| C24 | C23 | H22 | 119.9° | 120.0° |
| O1 | C12 | O2 | 122.8° | 120.0° |
| O1 | C12 | C11 | 118.6° | 120.0° |
| C23 | C21 | C13 | 121.4° | 120.0° |
| C21 | C23 | H22 | 119.9° | 120.0° |
| C21 | C13 | N | 113.6° | 109.5° |
| C21 | C13 | H16 | 108.4° | 109.5° |
| C21 | C13 | H17 | 108.4° | 109.5° |
| O2 | C12 | C11 | 118.5° | 120.0° |
| C12 | O2 | H30 | 109.5° | 117.0° |
| C12 | C11 | C10 | 110.8° | 109.5° |
| C12 | C11 | H14 | 109.2° | 109.5° |
| C12 | C11 | H15 | 109.2° | 109.4° |
| C13 | N | C6 | 114.4° | 120.0° |
| C13 | N | C14 | 121.0° | 120.0° |
| N | C13 | H16 | 108.4° | 109.5° |
| N | C13 | H17 | 108.4° | 109.4° |
| C3 | C2 | C1 | 120.1° | 120.0° |
| C2 | C3 | C4 | 119.9° | 120.1° |
| C2 | C3 | H2 | 120.1° | 119.9° |
| C3 | C2 | H1 | 120.0° | 120.0° |
| C2 | C1 | C | 120.1° | 119.9° |
| C1 | C2 | H1 | 120.0° | 120.0° |
| C2 | C1 | H | 120.0° | 120.0° |
| C3 | C4 | C5 | 120.3° | 120.1° |
| C3 | C4 | H3 | 119.9° | 119.9° |
| C4 | C3 | H2 | 120.1° | 120.0° |
| C1 | C | C5 | 119.9° | 120.0° |
| C1 | C | O | 121.4° | 120.0° |
| C | C1 | H | 119.9° | 120.1° |
| C11 | C10 | C9 | 112.1° | 109.4° |
| C11 | C10 | H12 | 108.8° | 109.5° |
| C11 | C10 | H13 | 108.8° | 109.5° |
| C10 | C11 | H14 | 109.2° | 109.5° |
| C10 | C11 | H15 | 109.1° | 109.5° |
| C4 | C5 | C | 119.8° | 119.9° |
| C4 | C5 | C6 | 121.1° | 120.0° |
| C5 | C4 | H3 | 119.8° | 120.0° |
| C5 | C | O | 118.7° | 120.0° |
| C | C5 | C6 | 119.1° | 120.1° |
| C | O | C7 | 122.8° | 117.0° |
| C10 | C9 | C8 | 108.5° | 109.5° |
| C9 | C10 | H12 | 108.8° | 109.5° |
| C9 | C10 | H13 | 108.8° | 109.5° |
| C10 | C9 | H11 | 109.7° | 109.5° |
| C10 | C9 | H10 | 109.7° | 109.5° |
| C9 | C8 | C7 | 112.7° | 109.5° |
| C9 | C8 | H9 | 108.7° | 109.5° |
| C9 | C8 | H8 | 108.6° | 109.5° |
| C8 | C9 | H11 | 109.7° | 109.4° |
| C8 | C9 | H10 | 109.7° | 109.5° |
| C6 | N | C14 | 124.5° | 120.0° |
| N | C6 | C5 | 112.5° | 109.5° |
| N | C6 | H5 | 108.7° | 109.4° |
| N | C6 | H4 | 108.7° | 109.4° |
| N | C14 | O3 | 120.2° | 120.0° |
| N | C14 | C15 | 124.4° | 120.0° |
| C5 | C6 | H5 | 108.7° | 109.6° |
| C5 | C6 | H4 | 108.7° | 109.4° |
| O | C7 | C8 | 110.2° | 109.5° |
| O | C7 | H6 | 109.3° | 109.5° |
| O | C7 | H7 | 109.3° | 109.4° |
| C8 | C7 | H6 | 109.3° | 109.5° |
| C8 | C7 | H7 | 109.3° | 109.5° |
| C7 | C8 | H9 | 108.6° | 109.5° |
| C7 | C8 | H8 | 108.7° | 109.5° |
| O3 | C14 | C15 | 115.4° | 120.0° |
| C14 | C15 | C16 | 123.0° | 120.0° |
| C14 | C15 | C17 | 117.8° | 120.1° |
| C16 | C15 | C17 | 119.2° | 119.9° |
| C15 | C16 | C20 | 120.1° | 120.0° |
| C15 | C16 | H18 | 120.0° | 120.0° |
| C15 | C17 | C18 | 120.9° | 120.0° |
| C15 | C17 | H19 | 119.6° | 120.0° |
| C16 | C20 | C19 | 120.4° | 120.0° |
| C16 | C20 | H21 | 119.8° | 119.9° |
| C20 | C16 | H18 | 120.0° | 120.0° |
| C17 | C18 | C19 | 120.1° | 120.1° |
| C18 | C17 | H19 | 119.5° | 120.1° |
| C17 | C18 | H20 | 120.0° | 120.0° |
| C20 | C19 | C18 | 119.3° | 120.1° |
| C20 | C19 | C22 | 120.3° | 119.9° |
| C19 | C20 | H21 | 119.8° | 120.1° |
| C18 | C19 | C22 | 120.3° | 120.0° |
| C19 | C18 | H20 | 119.9° | 120.0° |
| C19 | C22 | C29 | 123.9° | 122.9° |
| C19 | C22 | C28 | 123.8° | 122.8° |
| C29 | C22 | C28 | 112.3° | 114.3° |
| C22 | C29 | S | 110.8° | 110.6° |
| C22 | C29 | H28 | 124.6° | 124.7° |
| C22 | C28 | C30 | 113.5° | 113.7° |
| C22 | C28 | H27 | 123.2° | 123.1° |
| C29 | S | C30 | 92.9° | 91.7° |
| S | C29 | H28 | 124.6° | 124.7° |
| C28 | C30 | S | 110.5° | 109.7° |
| C30 | C28 | H27 | 123.2° | 123.1° |
| C28 | C30 | H29 | 124.8° | 125.1° |
| S | C30 | H29 | 124.7° | 125.2° |
| H5 | C6 | H4 | 109.4° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H9 | C8 | H8 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H11 | C9 | H10 | 109.5° | 109.4° |
| H14 | C11 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C26 | C27 | H25 | 180.0° | 179.1° |
| C26 | C25 | C24 | H24 | 180.0° | 179.0° |
| C25 | C26 | C27 | C21 | 0.0° | 0.6° |
| C26 | C25 | C24 | C23 | 0.1° | 0.7° |
| C26 | C25 | C24 | H23 | 179.9° | 179.4° |
| C25 | C26 | C27 | H26 | 180.0° | 179.4° |
| C27 | C26 | C25 | C24 | 0.0° | 1.0° |
| C26 | C27 | C21 | H26 | 180.0° | 180.0° |
| C26 | C27 | C21 | C23 | 0.1° | 0.1° |
| C26 | C27 | C21 | C13 | 180.0° | 179.7° |
| C27 | C26 | C25 | H24 | 180.0° | 180.0° |
| C25 | C24 | C23 | H23 | 180.0° | 180.0° |
| C25 | C24 | C23 | C21 | 0.2° | 0.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C25 | C24 | C23 | H22 | 179.8° | 179.9° |
| C27 | C21 | C23 | C24 | 0.2° | 0.4° |
| C27 | C21 | C23 | C13 | 179.9° | 179.7° |
| C27 | C21 | C13 | N | 116.4° | 60.8° |
| C27 | C21 | C13 | H16 | 123.0° | 59.2° |
| C27 | C21 | C13 | H17 | 4.2° | 179.2° |
| C21 | C27 | C26 | H25 | 180.0° | 179.7° |
| C27 | C21 | C23 | H22 | 179.8° | 179.7° |
| C24 | C23 | C21 | H22 | 180.0° | 179.9° |
| C24 | C23 | C21 | C13 | 179.9° | 180.0° |
| C23 | C24 | C25 | H24 | 179.9° | 179.7° |
| O1 | C12 | O2 | C11 | 179.2° | 180.0° |
| O1 | C12 | C11 | C10 | 132.0° | 0.0° |
| O1 | C12 | C11 | H14 | 11.8° | 120.0° |
| O1 | C12 | C11 | H15 | 107.8° | 120.0° |
| O1 | C12 | O2 | H30 | 0.0° | 0.1° |
| C23 | C21 | C13 | N | 63.5° | 118.9° |
| C23 | C21 | C13 | H16 | 57.1° | 121.1° |
| C23 | C21 | C13 | H17 | 175.9° | 1.1° |
| C21 | C23 | C24 | H23 | 179.8° | 180.0° |
| C23 | C21 | C27 | H26 | 179.9° | 180.0° |
| C21 | C13 | N | H16 | 120.6° | 120.0° |
| C21 | C13 | N | H17 | 120.6° | 120.0° |
| C21 | C13 | N | C6 | 92.4° | 54.6° |
| C21 | C13 | N | C14 | 89.4° | 125.5° |
| C21 | C13 | H16 | H17 | 118.1° | 120.0° |
| C13 | C21 | C27 | H26 | 0.0° | 0.3° |
| C13 | C21 | C23 | H22 | 0.1° | 0.1° |
| O2 | C12 | C11 | C10 | 48.7° | 180.0° |
| O2 | C12 | C11 | H14 | 168.9° | 60.0° |
| O2 | C12 | C11 | H15 | 71.5° | 60.0° |
| C12 | C11 | C10 | H14 | 120.2° | 120.0° |
| C12 | C11 | C10 | H15 | 120.2° | 120.0° |
| C12 | C11 | C10 | C9 | 65.9° | 180.0° |
| C12 | C11 | C10 | H12 | 173.7° | 60.0° |
| C12 | C11 | C10 | H13 | 54.5° | 60.0° |
| C12 | C11 | H14 | H15 | 119.4° | 120.0° |
| C11 | C12 | O2 | H30 | 179.3° | 179.9° |
| C13 | N | C6 | C14 | 178.1° | 180.0° |
| C13 | N | C6 | C5 | 76.3° | 90.0° |
| C13 | N | C14 | O3 | 0.4° | 175.8° |
| C13 | N | C14 | C15 | 178.7° | 4.2° |
| C13 | N | C6 | H5 | 163.3° | 30.1° |
| C13 | N | C6 | H4 | 44.2° | 150.0° |
| N | C13 | H16 | H17 | 118.1° | 120.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 0.0° | 0.3° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C2 | C3 | C4 | H3 | 179.8° | 179.8° |
| C3 | C2 | C1 | H | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.1° |
| C2 | C1 | C | H | 180.0° | 179.7° |
| C2 | C1 | C | C5 | 0.2° | 0.6° |
| C2 | C1 | C | O | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | H3 | 180.0° | 179.7° |
| C3 | C4 | C5 | C | 0.4° | 0.3° |
| C3 | C4 | C5 | C6 | 179.9° | 179.7° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C1 | C | C5 | C4 | 0.4° | 0.6° |
| C1 | C | C5 | O | 179.8° | 179.4° |
| C1 | C | C5 | C6 | 179.8° | 179.4° |
| C1 | C | O | C7 | 0.1° | 0.0° |
| C | C1 | C2 | H1 | 180.0° | 179.8° |
| C11 | C10 | C9 | H12 | 120.4° | 120.0° |
| C11 | C10 | C9 | H13 | 120.4° | 120.0° |
| C11 | C10 | C9 | C8 | 170.8° | 180.0° |
| C11 | C10 | H12 | H13 | 118.8° | 120.0° |
| C11 | C10 | C9 | H11 | 69.3° | 60.0° |
| C11 | C10 | C9 | H10 | 51.0° | 60.0° |
| C10 | C11 | H14 | H15 | 119.4° | 120.0° |
| C4 | C5 | C | C6 | 179.8° | 180.0° |
| C4 | C5 | C | O | 179.8° | 180.0° |
| C4 | C5 | C6 | N | 27.6° | 100.0° |
| C4 | C5 | C6 | H5 | 92.9° | 20.0° |
| C4 | C5 | C6 | H4 | 148.0° | 140.1° |
| C5 | C4 | C3 | H2 | 179.8° | 179.9° |
| C | C5 | C6 | N | 152.7° | 80.0° |
| C5 | C | O | C7 | 179.8° | 179.5° |
| C | C5 | C4 | H3 | 179.6° | 180.0° |
| C | C5 | C6 | H5 | 86.9° | 160.0° |
| C | C5 | C6 | H4 | 32.2° | 40.0° |
| C5 | C | C1 | H | 179.8° | 179.7° |
| O | C | C5 | C6 | 0.1° | 0.0° |
| C | O | C7 | C8 | 168.9° | 180.0° |
| C | O | C7 | H6 | 71.0° | 59.9° |
| C | O | C7 | H7 | 48.8° | 60.0° |
| O | C | C1 | H | 0.0° | 0.3° |
| C10 | C9 | C8 | H11 | 119.9° | 120.0° |
| C10 | C9 | C8 | H10 | 119.9° | 120.1° |
| C10 | C9 | C8 | C7 | 161.3° | 180.0° |
| C10 | C9 | C8 | H9 | 78.3° | 60.0° |
| C10 | C9 | C8 | H8 | 40.8° | 60.0° |
| C9 | C10 | H12 | H13 | 118.8° | 120.0° |
| C10 | C9 | H11 | H10 | 120.5° | 120.1° |
| C9 | C10 | C11 | H14 | 54.3° | 60.0° |
| C9 | C10 | C11 | H15 | 173.9° | 60.0° |
| C9 | C8 | C7 | O | 66.0° | 180.0° |
| C9 | C8 | C7 | H9 | 120.5° | 120.0° |
| C9 | C8 | C7 | H8 | 120.5° | 120.0° |
| C9 | C8 | C7 | H6 | 54.1° | 60.0° |
| C9 | C8 | C7 | H7 | 173.9° | 60.0° |
| C9 | C8 | H9 | H8 | 118.5° | 120.0° |
| C8 | C9 | C10 | H12 | 50.4° | 60.0° |
| C8 | C9 | C10 | H13 | 68.8° | 60.0° |
| C8 | C9 | H11 | H10 | 120.4° | 120.0° |
| N | C6 | C5 | H5 | 120.5° | 120.0° |
| N | C6 | C5 | H4 | 120.5° | 120.0° |
| C6 | N | C14 | O3 | 178.4° | 4.2° |
| C6 | N | C14 | C15 | 0.7° | 175.8° |
| N | C6 | H5 | H4 | 118.6° | 120.0° |
| C6 | N | C13 | H16 | 146.9° | 174.6° |
| C6 | N | C13 | H17 | 28.2° | 65.4° |
| C14 | N | C6 | C5 | 105.7° | 90.0° |
| N | C14 | O3 | C15 | 179.1° | 179.9° |
| N | C14 | C15 | C16 | 61.1° | 135.0° |
| N | C14 | C15 | C17 | 120.8° | 45.2° |
| C14 | N | C6 | H5 | 14.8° | 149.9° |
| C14 | N | C6 | H4 | 133.9° | 30.0° |
| C14 | N | C13 | H16 | 31.2° | 5.4° |
| C14 | N | C13 | H17 | 150.0° | 114.5° |
| C6 | C5 | C4 | H3 | 0.2° | 0.0° |
| C5 | C6 | H5 | H4 | 118.6° | 120.0° |
| O | C7 | C8 | H6 | 120.1° | 120.0° |
| O | C7 | C8 | H7 | 120.1° | 120.0° |
| O | C7 | H6 | H7 | 119.7° | 119.9° |
| O | C7 | C8 | H9 | 54.5° | 60.0° |
| O | C7 | C8 | H8 | 173.6° | 60.0° |
| C8 | C7 | H6 | H7 | 119.7° | 120.0° |
| C7 | C8 | H9 | H8 | 118.5° | 120.0° |
| C7 | C8 | C9 | H11 | 41.4° | 60.0° |
| C7 | C8 | C9 | H10 | 78.9° | 59.9° |
| O3 | C14 | C15 | C16 | 119.8° | 45.1° |
| O3 | C14 | C15 | C17 | 58.3° | 134.7° |
| C14 | C15 | C16 | C17 | 178.1° | 179.8° |
| C14 | C15 | C16 | C20 | 179.0° | 179.8° |
| C14 | C15 | C17 | C18 | 178.9° | 179.8° |
| C14 | C15 | C17 | H19 | 1.1° | 0.2° |
| C14 | C15 | C16 | H18 | 1.0° | 0.3° |
| C15 | C16 | C20 | H18 | 180.0° | 180.0° |
| C16 | C15 | C17 | C18 | 0.7° | 0.0° |
| C15 | C16 | C20 | C19 | 0.4° | 0.0° |
| C16 | C15 | C17 | H19 | 179.3° | 180.0° |
| C15 | C16 | C20 | H21 | 179.7° | 180.0° |
| C17 | C15 | C16 | C20 | 0.9° | 0.0° |
| C15 | C17 | C18 | H19 | 180.0° | 180.0° |
| C15 | C17 | C18 | C19 | 0.1° | 0.0° |
| C15 | C17 | C18 | H20 | 179.9° | 180.0° |
| C17 | C15 | C16 | H18 | 179.1° | 180.0° |
| C16 | C20 | C19 | H21 | 180.0° | 180.0° |
| C16 | C20 | C19 | C18 | 0.3° | 0.0° |
| C16 | C20 | C19 | C22 | 179.3° | 179.9° |
| C17 | C18 | C19 | C20 | 0.4° | 0.0° |
| C17 | C18 | C19 | H20 | 180.0° | 180.0° |
| C17 | C18 | C19 | C22 | 179.4° | 180.0° |
| C20 | C19 | C18 | C22 | 179.0° | 180.0° |
| C20 | C19 | C22 | C29 | 16.2° | 0.0° |
| C20 | C19 | C22 | C28 | 162.4° | 179.7° |
| C20 | C19 | C18 | H20 | 179.6° | 180.0° |
| C19 | C20 | C16 | H18 | 179.6° | 180.0° |
| C18 | C19 | C22 | C29 | 164.8° | 180.0° |
| C18 | C19 | C22 | C28 | 16.6° | 0.2° |
| C19 | C18 | C17 | H19 | 179.9° | 180.0° |
| C18 | C19 | C20 | H21 | 179.7° | 180.0° |
| C19 | C22 | C29 | C28 | 178.7° | 179.7° |
| C19 | C22 | C29 | S | 179.3° | 179.7° |
| C19 | C22 | C28 | C30 | 179.4° | 179.8° |
| C22 | C19 | C20 | H21 | 0.7° | 0.0° |
| C19 | C22 | C28 | H27 | 0.6° | 0.3° |
| C22 | C19 | C18 | H20 | 0.6° | 0.0° |
| C19 | C22 | C29 | H28 | 0.7° | 0.3° |
| C22 | C29 | S | H28 | 180.0° | 180.0° |
| C29 | C22 | C28 | C30 | 0.7° | 0.0° |
| C22 | C29 | S | C30 | 0.3° | 0.0° |
| C29 | C22 | C28 | H27 | 179.3° | 180.0° |
| C28 | C22 | C29 | S | 0.6° | 0.0° |
| C22 | C28 | C30 | H27 | 180.0° | 180.0° |
| C22 | C28 | C30 | S | 0.5° | 0.0° |
| C28 | C22 | C29 | H28 | 179.5° | 180.0° |
| C22 | C28 | C30 | H29 | 179.5° | 180.0° |
| C29 | S | C30 | C28 | 0.1° | 0.0° |
| C29 | S | C30 | H29 | 179.9° | 180.0° |
| C28 | C30 | S | H29 | 180.0° | 179.9° |
| S | C30 | C28 | H27 | 179.5° | 180.0° |
| C30 | S | C29 | H28 | 179.8° | 180.0° |
| H3 | C4 | C3 | H2 | 0.2° | 0.2° |
| H6 | C7 | C8 | H9 | 174.6° | 60.0° |
| H6 | C7 | C8 | H8 | 66.3° | 180.0° |
| H7 | C7 | C8 | H9 | 65.6° | 180.0° |
| H7 | C7 | C8 | H8 | 53.5° | 60.0° |
| H9 | C8 | C9 | H11 | 161.9° | 180.0° |
| H9 | C8 | C9 | H10 | 41.6° | 60.0° |
| H8 | C8 | C9 | H11 | 79.1° | 60.0° |
| H8 | C8 | C9 | H10 | 160.6° | 179.9° |
| H12 | C10 | C9 | H11 | 170.3° | 180.0° |
| H12 | C10 | C9 | H10 | 69.4° | 60.0° |
| H12 | C10 | C11 | H14 | 66.1° | 180.0° |
| H12 | C10 | C11 | H15 | 53.5° | 60.0° |
| H13 | C10 | C9 | H11 | 51.1° | 60.0° |
| H13 | C10 | C9 | H10 | 171.4° | 180.0° |
| H13 | C10 | C11 | H14 | 174.7° | 60.0° |
| H13 | C10 | C11 | H15 | 65.7° | NaN° |
| H19 | C17 | C18 | H20 | 0.1° | 0.0° |
| H21 | C20 | C16 | H18 | 0.3° | 0.0° |
| H23 | C24 | C25 | H24 | 0.1° | 0.4° |
| H23 | C24 | C23 | H22 | 0.2° | 0.1° |
| H25 | C26 | C27 | H26 | 0.0° | 0.3° |
| H25 | C26 | C25 | H24 | 0.0° | 1.0° |
| H27 | C28 | C30 | H29 | 0.5° | 0.1° |
| H2 | C3 | C2 | H1 | 0.1° | 0.0° |
| H1 | C2 | C1 | H | 0.0° | 0.1° |
