WBA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C15 | doub | 1.22Å | 1.23Å | |
| S | C18 | sing | 1.71Å | 1.72Å | Aromatic |
| S | C16 | sing | 1.76Å | 1.71Å | Aromatic |
| O1 | C24 | sing | 1.36Å | 1.36Å | |
| C15 | C16 | sing | 1.47Å | 1.48Å | |
| C15 | N2 | sing | 1.35Å | 1.34Å | |
| C18 | N3 | doub | 1.29Å | 1.29Å | Aromatic |
| C16 | C17 | doub | 1.36Å | 1.37Å | Aromatic |
| O2 | C22 | doub | 1.22Å | 1.23Å | |
| C1 | N2 | sing | 1.47Å | 1.45Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C19 | C | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| N | C2 | doub | 1.31Å | 1.32Å | Aromatic |
| N | C3 | sing | 1.34Å | 1.37Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.50Å | |
| C21 | N4 | sing | 1.47Å | 1.46Å | |
| C22 | N4 | sing | 1.35Å | 1.33Å | |
| C22 | C23 | sing | 1.47Å | 1.50Å | |
| N3 | C17 | sing | 1.31Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | N1 | sing | 1.35Å | 1.36Å | Aromatic |
| C23 | C28 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.36Å | 1.37Å | Aromatic |
| N1 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.47Å | |
| C28 | C27 | sing | 1.38Å | 1.37Å | Aromatic |
| C28 | F | sing | 1.35Å | 1.35Å | |
| C5 | C10 | doub | 1.41Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.36Å | 1.36Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.42Å | Aromatic |
| C9 | C8 | doub | 1.41Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.42Å | 1.42Å | Aromatic |
| C7 | C14 | sing | 1.41Å | 1.42Å | Aromatic |
| C8 | C11 | sing | 1.41Å | 1.42Å | Aromatic |
| C14 | C13 | doub | 1.36Å | 1.36Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.36Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C26 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å | |
| O1 | H16 | sing | 0.97Å | 0.95Å | |
| N4 | H17 | sing | 0.97Å | 1.00Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| N1 | H24 | sing | 0.97Å | 1.00Å | |
| C12 | H26 | sing | 1.08Å | 1.08Å | |
| C6 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C15 | C16 | 120.9° | 120.0° |
| O | C15 | N2 | 123.4° | 120.0° |
| C18 | S | C16 | 89.1° | 90.3° |
| S | C18 | N3 | 116.4° | 110.4° |
| S | C18 | H23 | 121.8° | 124.8° |
| S | C16 | C15 | 119.7° | 126.1° |
| S | C16 | C17 | 109.0° | 107.7° |
| O1 | C24 | C25 | 121.4° | 120.1° |
| O1 | C24 | C23 | 118.6° | 120.1° |
| C24 | O1 | H16 | 109.5° | 114.0° |
| C16 | C15 | N2 | 115.6° | 120.0° |
| C15 | C16 | C17 | 131.3° | 126.1° |
| C15 | N2 | C1 | 123.0° | 120.0° |
| C15 | N2 | H22 | 118.5° | 120.0° |
| C18 | N3 | C17 | 108.9° | 117.4° |
| N3 | C18 | H23 | 121.8° | 124.9° |
| C16 | C17 | N3 | 116.5° | 114.1° |
| C16 | C17 | H13 | 121.7° | 122.9° |
| O2 | C22 | N4 | 122.5° | 120.0° |
| O2 | C22 | C23 | 119.8° | 120.0° |
| N2 | C1 | C | 109.3° | 109.5° |
| N2 | C1 | C2 | 112.4° | 109.5° |
| N2 | C1 | H8 | 108.3° | 109.4° |
| C1 | N2 | H22 | 118.5° | 120.1° |
| C | C1 | C2 | 111.6° | 109.5° |
| C1 | C | C19 | 114.3° | 109.4° |
| C | C1 | H8 | 107.3° | 109.5° |
| C1 | C | H20 | 108.3° | 109.5° |
| C1 | C | H21 | 108.2° | 109.5° |
| C1 | C2 | N | 121.3° | 125.5° |
| C1 | C2 | N1 | 127.0° | 125.6° |
| C2 | C1 | H8 | 107.7° | 109.4° |
| C | C19 | C20 | 111.2° | 109.5° |
| C | C19 | H18 | 109.1° | 109.5° |
| C | C19 | H19 | 109.0° | 109.5° |
| C19 | C | H20 | 108.3° | 109.4° |
| C19 | C | H21 | 108.3° | 109.4° |
| C19 | C20 | C21 | 112.0° | 109.5° |
| C19 | C20 | H6 | 108.8° | 109.4° |
| C19 | C20 | H7 | 108.8° | 109.5° |
| C20 | C19 | H18 | 109.0° | 109.5° |
| C20 | C19 | H19 | 109.1° | 109.5° |
| C2 | N | C3 | 105.0° | 109.5° |
| N | C2 | N1 | 111.7° | 109.0° |
| N | C3 | C4 | 111.2° | 107.9° |
| N | C3 | H9 | 124.4° | 126.0° |
| C25 | C24 | C23 | 120.0° | 119.7° |
| C24 | C25 | C26 | 120.3° | 120.2° |
| C24 | C25 | H1 | 119.9° | 119.9° |
| C24 | C23 | C22 | 118.0° | 120.2° |
| C24 | C23 | C28 | 117.4° | 119.6° |
| C20 | C21 | N4 | 111.9° | 109.5° |
| C20 | C21 | H4 | 108.9° | 109.5° |
| C20 | C21 | H5 | 108.9° | 109.5° |
| C21 | C20 | H6 | 108.8° | 109.5° |
| C21 | C20 | H7 | 108.8° | 109.5° |
| C21 | N4 | C22 | 120.4° | 120.0° |
| N4 | C21 | H4 | 108.9° | 109.4° |
| N4 | C21 | H5 | 108.9° | 109.5° |
| C21 | N4 | H17 | 119.8° | 120.0° |
| N4 | C22 | C23 | 117.7° | 120.0° |
| C22 | N4 | H17 | 119.8° | 120.0° |
| C22 | C23 | C28 | 124.4° | 120.2° |
| N3 | C17 | H13 | 121.7° | 122.9° |
| C25 | C26 | C27 | 120.7° | 120.5° |
| C26 | C25 | H1 | 119.9° | 119.9° |
| C25 | C26 | H14 | 119.7° | 119.8° |
| C2 | N1 | C4 | 107.6° | 107.1° |
| C2 | N1 | H24 | 126.2° | 126.4° |
| C23 | C28 | C27 | 123.4° | 119.9° |
| C23 | C28 | F | 118.4° | 120.1° |
| C3 | C4 | N1 | 104.5° | 106.5° |
| C3 | C4 | C5 | 130.4° | 126.7° |
| C4 | C3 | H9 | 124.4° | 126.1° |
| N1 | C4 | C5 | 125.1° | 126.8° |
| C4 | N1 | H24 | 126.2° | 126.5° |
| C26 | C27 | C28 | 118.2° | 120.2° |
| C27 | C26 | H14 | 119.6° | 119.7° |
| C26 | C27 | H15 | 120.9° | 119.9° |
| C4 | C5 | C10 | 120.2° | 119.7° |
| C4 | C5 | C6 | 120.2° | 119.8° |
| C27 | C28 | F | 118.2° | 120.1° |
| C28 | C27 | H15 | 120.9° | 119.9° |
| C10 | C5 | C6 | 119.5° | 120.5° |
| C5 | C10 | C9 | 120.9° | 120.8° |
| C5 | C10 | H3 | 119.5° | 119.6° |
| C5 | C6 | C7 | 121.2° | 119.5° |
| C5 | C6 | H27 | 119.4° | 120.2° |
| C10 | C9 | C8 | 121.1° | 120.0° |
| C9 | C10 | H3 | 119.6° | 119.6° |
| C10 | C9 | H11 | 119.4° | 120.0° |
| C6 | C7 | C8 | 118.8° | 119.5° |
| C6 | C7 | C14 | 122.5° | 121.2° |
| C7 | C6 | H27 | 119.4° | 120.3° |
| C9 | C8 | C7 | 118.5° | 119.7° |
| C9 | C8 | C11 | 122.9° | 121.1° |
| C8 | C9 | H11 | 119.5° | 120.0° |
| C8 | C7 | C14 | 118.6° | 119.4° |
| C7 | C8 | C11 | 118.7° | 119.3° |
| C7 | C14 | C13 | 120.8° | 119.7° |
| C7 | C14 | H2 | 119.6° | 120.2° |
| C8 | C11 | C12 | 120.7° | 119.7° |
| C8 | C11 | H10 | 119.6° | 120.1° |
| C14 | C13 | C12 | 120.6° | 121.0° |
| C13 | C14 | H2 | 119.6° | 120.2° |
| C14 | C13 | H12 | 119.7° | 119.5° |
| C11 | C12 | C13 | 120.6° | 121.0° |
| C12 | C11 | H10 | 119.6° | 120.1° |
| C11 | C12 | H26 | 119.7° | 119.5° |
| C12 | C13 | H12 | 119.7° | 119.6° |
| C13 | C12 | H26 | 119.7° | 119.5° |
| H4 | C21 | H5 | 109.4° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.4° |
| H20 | C | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C15 | C16 | S | 4.0° | 180.0° |
| O | C15 | C16 | N2 | 177.8° | 180.0° |
| O | C15 | C16 | C17 | 174.2° | 0.0° |
| O | C15 | N2 | C1 | 4.4° | 0.0° |
| O | C15 | N2 | H22 | 175.6° | 179.9° |
| C18 | S | C16 | C15 | 178.5° | 180.0° |
| S | C18 | N3 | H23 | 180.0° | 179.7° |
| C18 | S | C16 | C17 | 0.0° | 0.0° |
| S | C18 | N3 | C17 | 0.1° | 0.5° |
| S | C16 | C15 | C17 | 178.1° | 179.9° |
| S | C16 | C15 | N2 | 178.2° | 0.0° |
| C16 | S | C18 | N3 | 0.1° | 0.3° |
| S | C16 | C17 | N3 | 0.0° | 0.2° |
| S | C16 | C17 | H13 | 180.0° | 180.0° |
| C16 | S | C18 | H23 | 179.9° | 180.0° |
| O1 | C24 | C25 | C23 | 178.3° | 180.0° |
| O1 | C24 | C23 | C22 | 3.4° | 0.2° |
| O1 | C24 | C25 | C26 | 177.9° | 180.0° |
| O1 | C24 | C23 | C28 | 179.0° | 179.5° |
| O1 | C24 | C25 | H1 | 2.1° | 0.3° |
| C16 | C15 | N2 | C1 | 173.4° | 180.0° |
| C15 | C16 | C17 | N3 | 178.3° | 179.7° |
| C15 | C16 | C17 | H13 | 1.7° | 0.0° |
| C16 | C15 | N2 | H22 | 6.6° | 0.0° |
| N2 | C15 | C16 | C17 | 3.7° | 180.0° |
| C15 | N2 | C1 | H22 | 180.0° | 180.0° |
| C15 | N2 | C1 | C | 130.5° | 60.0° |
| C15 | N2 | C1 | C2 | 105.0° | 60.0° |
| C15 | N2 | C1 | H8 | 13.9° | 180.0° |
| C18 | N3 | C17 | C16 | 0.1° | 0.5° |
| C18 | N3 | C17 | H13 | 179.9° | 179.8° |
| C16 | C17 | N3 | H13 | 180.0° | 179.8° |
| O2 | C22 | C23 | C24 | 51.8° | 90.7° |
| O2 | C22 | N4 | C21 | 3.4° | 0.1° |
| O2 | C22 | N4 | C23 | 179.7° | 179.9° |
| O2 | C22 | C23 | C28 | 123.5° | 90.0° |
| O2 | C22 | N4 | H17 | 176.6° | 180.0° |
| N2 | C1 | C | C2 | 124.9° | 120.0° |
| N2 | C1 | C | H8 | 117.3° | 120.0° |
| N2 | C1 | C2 | H8 | 119.2° | 119.9° |
| N2 | C1 | C | C19 | 171.2° | 65.0° |
| N2 | C1 | C2 | N | 136.3° | 175.3° |
| N2 | C1 | C2 | N1 | 46.1° | 4.9° |
| N2 | C1 | C | H20 | 50.5° | 55.0° |
| N2 | C1 | C | H21 | 68.1° | 175.1° |
| C | C1 | C2 | H8 | 117.6° | 120.1° |
| C1 | C | C19 | H20 | 120.7° | 120.0° |
| C1 | C | C19 | H21 | 120.7° | 120.0° |
| C1 | C | C19 | C20 | 177.8° | 180.0° |
| C | C1 | C2 | N | 100.5° | 55.3° |
| C | C1 | C2 | N1 | 77.1° | 125.0° |
| C1 | C | C19 | H18 | 57.5° | 60.0° |
| C1 | C | C19 | H19 | 62.0° | 60.0° |
| C1 | C | H20 | H21 | 117.8° | 120.1° |
| C | C1 | N2 | H22 | 49.5° | 120.1° |
| C2 | C1 | C | C19 | 63.9° | 175.0° |
| C1 | C2 | N | N1 | 177.9° | 179.8° |
| C1 | C2 | N | C3 | 177.4° | 179.8° |
| C1 | C2 | N1 | C4 | 177.1° | 180.0° |
| C2 | C1 | C | H20 | 175.4° | 65.1° |
| C2 | C1 | C | H21 | 56.8° | 55.0° |
| C2 | C1 | N2 | H22 | 75.0° | 119.9° |
| C1 | C2 | N1 | H24 | 2.9° | 0.0° |
| C | C19 | C20 | H18 | 120.3° | 120.0° |
| C | C19 | C20 | H19 | 120.2° | 120.0° |
| C | C19 | C20 | C21 | 179.6° | 180.0° |
| C | C19 | C20 | H6 | 59.2° | 60.0° |
| C | C19 | C20 | H7 | 60.0° | 60.0° |
| C19 | C | C1 | H8 | 53.9° | 55.0° |
| C | C19 | H18 | H19 | 119.2° | 120.0° |
| C19 | C | H20 | H21 | 117.8° | 120.0° |
| C19 | C20 | C21 | H6 | 120.4° | 120.0° |
| C19 | C20 | C21 | H7 | 120.4° | 120.0° |
| C19 | C20 | C21 | N4 | 179.2° | 180.0° |
| C19 | C20 | C21 | H4 | 58.9° | 60.0° |
| C19 | C20 | C21 | H5 | 60.4° | 60.0° |
| C19 | C20 | H6 | H7 | 118.8° | 120.0° |
| C20 | C19 | H18 | H19 | 119.2° | 120.0° |
| C20 | C19 | C | H20 | 61.6° | 60.0° |
| C20 | C19 | C | H21 | 57.1° | 60.0° |
| C2 | N | C3 | C4 | 0.2° | 0.2° |
| N | C2 | N1 | C4 | 0.7° | 0.2° |
| N | C2 | C1 | H8 | 17.1° | 64.7° |
| C2 | N | C3 | H9 | 179.8° | 179.8° |
| N | C2 | N1 | H24 | 179.3° | 179.7° |
| C3 | N | C2 | N1 | 0.6° | 0.0° |
| N | C3 | C4 | H9 | 180.0° | 179.6° |
| N | C3 | C4 | N1 | 0.2° | 0.4° |
| N | C3 | C4 | C5 | 178.6° | 179.6° |
| C25 | C24 | C23 | C22 | 174.9° | 179.7° |
| C24 | C25 | C26 | H1 | 180.0° | 179.7° |
| C25 | C24 | C23 | C28 | 0.7° | 0.5° |
| C24 | C25 | C26 | C27 | 0.9° | 0.3° |
| C24 | C25 | C26 | H14 | 179.1° | 179.7° |
| C25 | C24 | O1 | H16 | 157.9° | 90.0° |
| C24 | C23 | C22 | N4 | 127.9° | 89.2° |
| C24 | C23 | C22 | C28 | 175.3° | 179.2° |
| C23 | C24 | C25 | C26 | 0.4° | 0.1° |
| C24 | C23 | C28 | C27 | 1.3° | 0.8° |
| C24 | C23 | C28 | F | 178.6° | 179.3° |
| C23 | C24 | C25 | H1 | 179.6° | 179.7° |
| C23 | C24 | O1 | H16 | 20.4° | 90.0° |
| C20 | C21 | N4 | H4 | 120.4° | 120.0° |
| C20 | C21 | N4 | H5 | 120.4° | 120.0° |
| C20 | C21 | N4 | C22 | 170.4° | 180.0° |
| C20 | C21 | H4 | H5 | 118.9° | 120.0° |
| C21 | C20 | H6 | H7 | 118.9° | 120.0° |
| C20 | C21 | N4 | H17 | 9.6° | 0.1° |
| C21 | C20 | C19 | H18 | 60.1° | 60.0° |
| C21 | C20 | C19 | H19 | 59.4° | 60.0° |
| C21 | N4 | C22 | H17 | 180.0° | 179.9° |
| C21 | N4 | C22 | C23 | 176.9° | 180.0° |
| N4 | C21 | H4 | H5 | 118.9° | 120.0° |
| N4 | C21 | C20 | H6 | 60.4° | 60.0° |
| N4 | C21 | C20 | H7 | 58.9° | 60.1° |
| N4 | C22 | C23 | C28 | 56.8° | 90.0° |
| C22 | N4 | C21 | H4 | 69.2° | 60.1° |
| C22 | N4 | C21 | H5 | 50.0° | 59.9° |
| C22 | C23 | C28 | C27 | 174.0° | 180.0° |
| C22 | C23 | C28 | F | 6.1° | 0.1° |
| C23 | C22 | N4 | H17 | 3.1° | 0.1° |
| C17 | N3 | C18 | H23 | 179.9° | 179.8° |
| C25 | C26 | C27 | H14 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.4° | 0.0° |
| C25 | C26 | C27 | H15 | 179.6° | 179.9° |
| C2 | N1 | C4 | C3 | 0.5° | 0.4° |
| C2 | N1 | C4 | H24 | 180.0° | 180.0° |
| C2 | N1 | C4 | C5 | 179.0° | 179.6° |
| N1 | C2 | C1 | H8 | 165.4° | 115.0° |
| C23 | C28 | C27 | C26 | 0.7° | 0.5° |
| C23 | C28 | C27 | F | 179.9° | 179.9° |
| C23 | C28 | C27 | H15 | 179.2° | 179.5° |
| C3 | C4 | N1 | C5 | 178.5° | 180.0° |
| C3 | C4 | C5 | C10 | 12.4° | 180.0° |
| C3 | C4 | C5 | C6 | 167.0° | 0.7° |
| C3 | C4 | N1 | H24 | 179.5° | 179.6° |
| N1 | C4 | C5 | C10 | 165.8° | 0.0° |
| N1 | C4 | C5 | C6 | 14.8° | 179.3° |
| N1 | C4 | C3 | H9 | 179.8° | 179.9° |
| C26 | C27 | C28 | H15 | 180.0° | 180.0° |
| C26 | C27 | C28 | F | 179.1° | 179.6° |
| C27 | C26 | C25 | H1 | 179.1° | 180.0° |
| C4 | C5 | C10 | C6 | 179.4° | 179.3° |
| C4 | C5 | C10 | C9 | 179.2° | 180.0° |
| C4 | C5 | C6 | C7 | 179.1° | 180.0° |
| C4 | C5 | C10 | H3 | 0.8° | 0.1° |
| C5 | C4 | C3 | H9 | 1.4° | 0.0° |
| C5 | C4 | N1 | H24 | 1.0° | 0.4° |
| C4 | C5 | C6 | H27 | 0.9° | 0.1° |
| C28 | C27 | C26 | H14 | 179.6° | 180.0° |
| F | C28 | C27 | H15 | 0.9° | 0.4° |
| C5 | C10 | C9 | H3 | 180.0° | 179.8° |
| C10 | C5 | C6 | C7 | 0.3° | 0.7° |
| C5 | C10 | C9 | C8 | 0.3° | 0.1° |
| C5 | C10 | C9 | H11 | 179.7° | 180.0° |
| C10 | C5 | C6 | H27 | 179.7° | 179.2° |
| C6 | C5 | C10 | C9 | 0.2° | 0.6° |
| C5 | C6 | C7 | H27 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.1° | 0.0° |
| C5 | C6 | C7 | C14 | 178.4° | 179.5° |
| C6 | C5 | C10 | H3 | 179.8° | 179.2° |
| C10 | C9 | C8 | H11 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.6° | 0.8° |
| C10 | C9 | C8 | C11 | 178.1° | 180.0° |
| C6 | C7 | C8 | C9 | 0.5° | 0.8° |
| C6 | C7 | C8 | C14 | 178.4° | 179.5° |
| C6 | C7 | C8 | C11 | 178.2° | 180.0° |
| C6 | C7 | C14 | C13 | 177.8° | 179.5° |
| C6 | C7 | C14 | H2 | 2.1° | 0.3° |
| C9 | C8 | C7 | C11 | 178.8° | 179.2° |
| C9 | C8 | C7 | C14 | 178.9° | 179.8° |
| C9 | C8 | C11 | C12 | 178.2° | 180.0° |
| C8 | C9 | C10 | H3 | 179.7° | 180.0° |
| C9 | C8 | C11 | H10 | 1.8° | 0.1° |
| C8 | C7 | C14 | C13 | 0.5° | 0.0° |
| C7 | C8 | C11 | C12 | 0.5° | 0.8° |
| C8 | C7 | C14 | H2 | 179.5° | 179.8° |
| C7 | C8 | C11 | H10 | 179.5° | 179.3° |
| C7 | C8 | C9 | H11 | 179.4° | 179.3° |
| C8 | C7 | C6 | H27 | 179.9° | 179.9° |
| C14 | C7 | C8 | C11 | 0.1° | 0.5° |
| C7 | C14 | C13 | H2 | 180.0° | 179.8° |
| C7 | C14 | C13 | C12 | 0.2° | 0.2° |
| C7 | C14 | C13 | H12 | 179.8° | 179.7° |
| C14 | C7 | C6 | H27 | 1.6° | 0.6° |
| C8 | C11 | C12 | H10 | 180.0° | 179.9° |
| C8 | C11 | C12 | C13 | 0.8° | 0.6° |
| C11 | C8 | C9 | H11 | 1.9° | 0.1° |
| C8 | C11 | C12 | H26 | 179.2° | 179.4° |
| C14 | C13 | C12 | C11 | 0.5° | 0.1° |
| C14 | C13 | C12 | H12 | 180.0° | 180.0° |
| C14 | C13 | C12 | H26 | 179.5° | 180.0° |
| C11 | C12 | C13 | H26 | 180.0° | 180.0° |
| C11 | C12 | C13 | H12 | 179.5° | 180.0° |
| C12 | C13 | C14 | H2 | 179.8° | 180.0° |
| C13 | C12 | C11 | H10 | 179.2° | 179.5° |
| H1 | C25 | C26 | H14 | 0.9° | 0.1° |
| H2 | C14 | C13 | H12 | 0.2° | 0.1° |
| H3 | C10 | C9 | H11 | 0.3° | 0.2° |
| H4 | C21 | C20 | H6 | 179.2° | 59.9° |
| H4 | C21 | C20 | H7 | 61.5° | 180.0° |
| H4 | C21 | N4 | H17 | 110.8° | 120.0° |
| H5 | C21 | C20 | H6 | 60.0° | 179.9° |
| H5 | C21 | C20 | H7 | 179.3° | 60.0° |
| H5 | C21 | N4 | H17 | 130.0° | 120.0° |
| H6 | C20 | C19 | H18 | 179.5° | 180.0° |
| H6 | C20 | C19 | H19 | 61.0° | 60.0° |
| H7 | C20 | C19 | H18 | 60.3° | 60.0° |
| H7 | C20 | C19 | H19 | 179.8° | 179.9° |
| H8 | C1 | C | H20 | 66.8° | 174.9° |
| H8 | C1 | C | H21 | 174.6° | 65.0° |
| H8 | C1 | N2 | H22 | 166.2° | 0.0° |
| H10 | C11 | C12 | H26 | 0.8° | 0.5° |
| H12 | C13 | C12 | H26 | 0.5° | 0.0° |
| H14 | C26 | C27 | H15 | 0.4° | 0.0° |
| H18 | C19 | C | H20 | 178.2° | 60.0° |
| H18 | C19 | C | H21 | 63.2° | 179.9° |
| H19 | C19 | C | H20 | 58.7° | 180.0° |
| H19 | C19 | C | H21 | 177.3° | 60.0° |
