KUE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C21 | C20 | sing | 1.54Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | C15 | sing | 1.41Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.47Å | 1.47Å | |
| C23 | N3 | sing | 1.45Å | 1.48Å | |
| O2 | C9 | doub | 1.22Å | 1.23Å | |
| C20 | C19 | sing | 1.52Å | 1.51Å | |
| C15 | C8 | sing | 1.46Å | 1.47Å | |
| C9 | N2 | sing | 1.35Å | 1.34Å | |
| C19 | C18 | sing | 1.54Å | 1.52Å | |
| N3 | S | sing | 1.66Å | 1.64Å | |
| N3 | C17 | sing | 1.47Å | 1.48Å | |
| O3 | C6 | doub | 1.21Å | 1.23Å | |
| O | S | doub | 1.42Å | 1.43Å | |
| C4 | O1 | sing | 1.43Å | 1.45Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| O1 | C3 | sing | 1.36Å | 1.37Å | |
| C1 | C | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| C8 | N1 | doub | 1.30Å | 1.29Å | |
| N2 | N1 | sing | 1.40Å | 1.39Å | |
| C6 | N | sing | 1.35Å | 1.35Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C | S | sing | 1.76Å | 1.76Å | |
| C5 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | N | sing | 1.40Å | 1.41Å | |
| S | O4 | doub | 1.42Å | 1.42Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.08Å | 1.08Å | |
| C2 | H26 | sing | 1.08Å | 1.08Å | |
| C1 | H27 | sing | 1.08Å | 1.08Å | |
| N | H28 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 120.5° | 120.7° |
| C12 | C13 | C14 | 120.3° | 120.8° |
| C13 | C12 | H8 | 119.7° | 119.7° |
| C12 | C13 | H9 | 119.8° | 119.6° |
| C12 | C11 | C10 | 119.7° | 119.5° |
| C12 | C11 | H7 | 120.2° | 120.3° |
| C11 | C12 | H8 | 119.8° | 119.6° |
| C13 | C14 | C15 | 119.7° | 119.5° |
| C14 | C13 | H9 | 119.8° | 119.6° |
| C13 | C14 | H10 | 120.2° | 120.2° |
| C11 | C10 | C15 | 120.0° | 119.8° |
| C11 | C10 | C9 | 121.2° | 121.9° |
| C10 | C11 | H7 | 120.2° | 120.2° |
| C22 | C21 | C20 | 120.4° | 109.7° |
| C21 | C22 | C23 | 114.1° | 109.4° |
| C21 | C22 | H13 | 108.3° | 109.6° |
| C21 | C22 | H14 | 108.3° | 109.5° |
| C22 | C21 | H15 | 106.7° | 109.4° |
| C22 | C21 | H16 | 106.7° | 109.4° |
| C21 | C20 | C19 | 118.5° | 110.8° |
| C20 | C21 | H15 | 106.7° | 109.4° |
| C20 | C21 | H16 | 106.6° | 109.5° |
| C21 | C20 | H17 | 107.2° | 109.2° |
| C21 | C20 | H18 | 107.2° | 109.2° |
| C22 | C23 | N3 | 115.2° | 108.4° |
| C22 | C23 | H11 | 108.0° | 109.7° |
| C22 | C23 | H12 | 108.0° | 109.7° |
| C23 | C22 | H13 | 108.3° | 109.5° |
| C23 | C22 | H14 | 108.3° | 109.5° |
| C14 | C15 | C10 | 119.8° | 119.6° |
| C14 | C15 | C8 | 122.3° | 121.8° |
| C15 | C14 | H10 | 120.1° | 120.2° |
| C15 | C10 | C9 | 118.6° | 118.3° |
| C10 | C15 | C8 | 117.7° | 118.5° |
| C10 | C9 | O2 | 123.3° | 120.6° |
| C10 | C9 | N2 | 115.6° | 118.7° |
| C23 | N3 | S | 118.2° | 120.3° |
| C23 | N3 | C17 | 119.7° | 119.3° |
| N3 | C23 | H11 | 108.0° | 109.7° |
| N3 | C23 | H12 | 108.0° | 109.6° |
| O2 | C9 | N2 | 121.0° | 120.7° |
| C20 | C19 | C18 | 114.8° | 109.4° |
| C19 | C20 | H17 | 107.2° | 109.3° |
| C19 | C20 | H18 | 107.2° | 109.2° |
| C20 | C19 | H19 | 108.1° | 109.5° |
| C20 | C19 | H20 | 108.1° | 109.5° |
| C15 | C8 | C7 | 121.1° | 119.9° |
| C15 | C8 | N1 | 123.1° | 120.1° |
| C9 | N2 | N1 | 128.2° | 121.8° |
| C9 | N2 | H6 | 115.9° | 119.1° |
| C19 | C18 | C17 | 115.7° | 109.3° |
| C18 | C19 | H19 | 108.1° | 109.5° |
| C18 | C19 | H20 | 108.1° | 109.4° |
| C19 | C18 | H21 | 107.9° | 109.5° |
| C19 | C18 | H22 | 107.9° | 109.5° |
| S | N3 | C17 | 116.0° | 120.4° |
| N3 | S | O | 107.4° | 106.4° |
| N3 | S | C | 106.0° | 107.2° |
| N3 | S | O4 | 107.3° | 106.3° |
| N3 | C17 | C18 | 114.0° | 108.8° |
| N3 | C17 | H23 | 108.3° | 109.5° |
| N3 | C17 | H24 | 108.4° | 109.6° |
| O3 | C6 | N | 123.2° | 120.0° |
| O3 | C6 | C7 | 121.5° | 120.0° |
| O | S | C | 108.4° | 106.4° |
| O | S | O4 | 119.0° | 123.2° |
| C4 | O1 | C3 | 117.3° | 117.0° |
| O1 | C4 | H1 | 109.5° | 109.4° |
| O1 | C4 | H2 | 109.5° | 109.5° |
| O1 | C4 | H3 | 109.5° | 109.5° |
| C1 | C2 | C3 | 120.2° | 120.0° |
| C2 | C1 | C | 119.6° | 120.2° |
| C1 | C2 | H26 | 119.9° | 120.0° |
| C2 | C1 | H27 | 120.2° | 119.9° |
| C2 | C3 | O1 | 124.9° | 120.1° |
| C2 | C3 | C5 | 120.3° | 119.9° |
| C3 | C2 | H26 | 119.9° | 120.0° |
| O1 | C3 | C5 | 114.8° | 120.0° |
| C1 | C | C16 | 121.7° | 120.1° |
| C1 | C | S | 118.9° | 119.9° |
| C | C1 | H27 | 120.2° | 119.9° |
| C3 | C5 | C16 | 119.3° | 119.8° |
| C3 | C5 | N | 117.2° | 120.2° |
| C7 | C8 | N1 | 115.7° | 120.0° |
| C8 | C7 | C6 | 113.1° | 109.5° |
| C8 | C7 | H4 | 108.6° | 109.5° |
| C8 | C7 | H5 | 108.6° | 109.5° |
| C8 | N1 | N2 | 116.6° | 122.7° |
| N1 | N2 | H6 | 115.9° | 119.1° |
| N | C6 | C7 | 115.3° | 120.0° |
| C6 | N | C5 | 125.3° | 120.0° |
| C6 | N | H28 | 117.4° | 120.0° |
| C6 | C7 | H4 | 108.6° | 109.5° |
| C6 | C7 | H5 | 108.6° | 109.4° |
| C16 | C | S | 119.3° | 119.9° |
| C | C16 | C5 | 118.9° | 120.0° |
| C | C16 | H25 | 120.6° | 119.9° |
| C | S | O4 | 108.1° | 106.4° |
| C16 | C5 | N | 123.6° | 120.1° |
| C5 | C16 | H25 | 120.5° | 120.0° |
| C5 | N | H28 | 117.4° | 120.0° |
| C17 | C18 | H21 | 107.9° | 109.5° |
| C17 | C18 | H22 | 107.9° | 109.5° |
| C18 | C17 | H23 | 108.3° | 109.4° |
| C18 | C17 | H24 | 108.3° | 109.9° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H1 | C4 | H3 | 109.5° | 109.4° |
| H2 | C4 | H3 | 109.5° | 109.4° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H11 | C23 | H12 | 109.5° | 109.7° |
| H13 | C22 | H14 | 109.5° | 109.4° |
| H15 | C21 | H16 | 109.4° | 109.4° |
| H17 | C20 | H18 | 109.5° | 109.2° |
| H19 | C19 | H20 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.4° |
| H23 | C17 | H24 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H8 | 180.0° | 180.0° |
| C12 | C13 | C14 | H9 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 1.4° | 0.0° |
| C12 | C13 | C14 | C15 | 1.0° | 0.1° |
| C13 | C12 | C11 | H7 | 178.6° | 180.0° |
| C12 | C13 | C14 | H10 | 179.0° | 179.9° |
| C11 | C12 | C13 | C14 | 2.5° | 0.0° |
| C12 | C11 | C10 | H7 | 180.0° | 180.0° |
| C12 | C11 | C10 | C15 | 1.2° | 0.0° |
| C12 | C11 | C10 | C9 | 175.7° | 180.0° |
| C11 | C12 | C13 | H9 | 177.5° | 180.0° |
| C13 | C14 | C15 | H10 | 180.0° | 179.8° |
| C13 | C14 | C15 | C10 | 1.6° | 0.1° |
| C13 | C14 | C15 | C8 | 174.1° | 180.0° |
| C14 | C13 | C12 | H8 | 177.5° | 180.0° |
| C11 | C10 | C15 | C14 | 2.7° | 0.0° |
| C11 | C10 | C15 | C9 | 174.6° | 180.0° |
| C11 | C10 | C9 | O2 | 4.4° | 0.1° |
| C11 | C10 | C15 | C8 | 173.2° | 180.0° |
| C11 | C10 | C9 | N2 | 173.6° | 180.0° |
| C10 | C11 | C12 | H8 | 178.6° | 180.0° |
| C22 | C21 | C20 | H15 | 121.6° | 120.1° |
| C22 | C21 | C20 | H16 | 121.6° | 120.1° |
| C21 | C22 | C23 | H13 | 120.7° | 120.1° |
| C21 | C22 | C23 | H14 | 120.7° | 120.0° |
| C21 | C22 | C23 | N3 | 62.1° | 77.7° |
| C22 | C21 | C20 | C19 | 22.0° | 44.4° |
| C21 | C22 | C23 | H11 | 177.1° | 42.0° |
| C21 | C22 | C23 | H12 | 58.7° | 162.6° |
| C21 | C22 | H13 | H14 | 117.9° | 120.1° |
| C22 | C21 | H15 | H16 | 115.1° | 119.8° |
| C22 | C21 | C20 | H17 | 99.3° | 76.0° |
| C22 | C21 | C20 | H18 | 143.2° | 164.7° |
| C20 | C21 | C22 | C23 | 78.4° | 72.9° |
| C21 | C20 | C19 | H17 | 121.3° | 120.4° |
| C21 | C20 | C19 | H18 | 121.3° | 120.3° |
| C21 | C20 | C19 | C18 | 92.3° | 113.7° |
| C20 | C21 | C22 | H13 | 42.3° | 167.1° |
| C20 | C21 | C22 | H14 | 161.0° | 47.1° |
| C20 | C21 | H15 | H16 | 115.0° | 119.9° |
| C21 | C20 | H17 | H18 | 115.9° | 119.4° |
| C21 | C20 | C19 | H19 | 146.9° | 126.3° |
| C21 | C20 | C19 | H20 | 28.4° | 6.2° |
| C22 | C23 | N3 | H11 | 120.8° | 119.7° |
| C22 | C23 | N3 | H12 | 120.8° | 119.8° |
| C22 | C23 | N3 | S | 161.1° | 136.6° |
| C22 | C23 | N3 | C17 | 47.5° | 43.6° |
| C22 | C23 | H11 | H12 | 117.4° | 120.6° |
| C23 | C22 | H13 | H14 | 117.9° | 120.0° |
| C23 | C22 | C21 | H15 | 43.2° | 47.2° |
| C23 | C22 | C21 | H16 | 160.1° | 167.0° |
| C14 | C15 | C10 | C8 | 175.9° | 180.0° |
| C14 | C15 | C10 | C9 | 177.3° | 180.0° |
| C14 | C15 | C8 | C7 | 1.9° | 0.0° |
| C14 | C15 | C8 | N1 | 176.1° | 180.0° |
| C15 | C14 | C13 | H9 | 179.0° | 179.9° |
| C15 | C10 | C9 | O2 | 179.0° | 180.0° |
| C15 | C10 | C9 | N2 | 1.0° | 0.0° |
| C10 | C15 | C8 | C7 | 177.6° | 180.0° |
| C10 | C15 | C8 | N1 | 0.3° | 0.0° |
| C15 | C10 | C11 | H7 | 178.8° | 180.0° |
| C10 | C15 | C14 | H10 | 178.4° | 179.9° |
| C10 | C9 | O2 | N2 | 177.9° | 179.9° |
| C9 | C10 | C15 | C8 | 1.5° | 0.0° |
| C10 | C9 | N2 | N1 | 0.7° | 0.0° |
| C10 | C9 | N2 | H6 | 179.3° | 180.0° |
| C9 | C10 | C11 | H7 | 4.3° | 0.0° |
| C23 | N3 | S | C17 | 152.4° | 179.7° |
| C23 | N3 | S | O | 58.3° | 23.8° |
| C23 | N3 | S | C | 57.3° | 89.7° |
| C23 | N3 | S | O4 | 172.7° | 156.7° |
| C23 | N3 | C17 | C18 | 103.4° | 111.6° |
| N3 | C23 | H11 | H12 | 117.4° | 120.5° |
| N3 | C23 | C22 | H13 | 58.6° | 162.2° |
| N3 | C23 | C22 | H14 | 177.2° | 42.3° |
| C23 | N3 | C17 | H23 | 17.2° | 7.9° |
| C23 | N3 | C17 | H24 | 135.9° | 128.2° |
| O2 | C9 | N2 | N1 | 177.3° | 180.0° |
| O2 | C9 | N2 | H6 | 2.7° | 0.0° |
| C20 | C19 | C18 | H19 | 120.8° | 120.0° |
| C20 | C19 | C18 | H20 | 120.8° | 119.9° |
| C20 | C19 | C18 | C17 | 76.8° | 77.8° |
| C19 | C20 | C21 | H15 | 143.5° | 164.5° |
| C19 | C20 | C21 | H16 | 99.6° | 75.7° |
| C19 | C20 | H17 | H18 | 115.9° | 119.3° |
| C20 | C19 | H19 | H20 | 117.6° | 120.1° |
| C20 | C19 | C18 | H21 | 44.1° | 42.1° |
| C20 | C19 | C18 | H22 | 162.3° | 162.2° |
| C15 | C8 | C7 | N1 | 178.1° | 180.0° |
| C15 | C8 | N1 | N2 | 1.3° | 0.0° |
| C15 | C8 | C7 | C6 | 76.2° | 180.0° |
| C15 | C8 | C7 | H4 | 163.2° | 60.0° |
| C15 | C8 | C7 | H5 | 44.3° | 60.0° |
| C8 | C15 | C14 | H10 | 5.9° | 0.1° |
| C9 | N2 | N1 | C8 | 1.9° | 0.0° |
| C9 | N2 | N1 | H6 | 180.0° | 180.0° |
| C19 | C18 | C17 | N3 | 72.1° | 72.5° |
| C19 | C18 | C17 | H21 | 120.9° | 120.0° |
| C19 | C18 | C17 | H22 | 120.9° | 120.0° |
| C18 | C19 | C20 | H17 | 28.9° | 6.7° |
| C18 | C19 | C20 | H18 | 146.4° | 126.0° |
| C18 | C19 | H19 | H20 | 117.6° | 120.0° |
| C19 | C18 | H21 | H22 | 117.2° | 120.1° |
| C19 | C18 | C17 | H23 | 48.5° | 47.0° |
| C19 | C18 | C17 | H24 | 167.2° | 167.5° |
| N3 | S | O | C | 114.0° | 114.1° |
| N3 | S | O | O4 | 122.0° | 122.9° |
| N3 | S | C | C1 | 137.8° | 89.5° |
| N3 | S | C | C16 | 43.1° | 90.0° |
| N3 | S | C | O4 | 114.8° | 113.5° |
| S | N3 | C17 | C18 | 104.6° | 68.7° |
| S | N3 | C23 | H11 | 78.1° | 16.9° |
| S | N3 | C23 | H12 | 40.3° | 103.6° |
| S | N3 | C17 | H23 | 134.7° | 171.8° |
| S | N3 | C17 | H24 | 16.1° | 51.5° |
| C17 | N3 | S | O | 149.3° | 156.5° |
| C17 | N3 | S | C | 95.1° | 90.0° |
| C17 | N3 | S | O4 | 20.3° | 23.6° |
| N3 | C17 | C18 | H23 | 120.6° | 119.6° |
| N3 | C17 | C18 | H24 | 120.7° | 120.0° |
| C17 | N3 | C23 | H11 | 73.3° | 163.3° |
| C17 | N3 | C23 | H12 | 168.4° | 76.2° |
| N3 | C17 | C18 | H21 | 48.8° | 47.5° |
| N3 | C17 | C18 | H22 | 167.0° | 167.5° |
| N3 | C17 | H23 | H24 | 118.0° | 120.2° |
| O3 | C6 | C7 | C8 | 21.1° | 0.1° |
| O3 | C6 | N | C7 | 178.4° | 179.9° |
| O3 | C6 | N | C5 | 14.2° | 5.6° |
| O3 | C6 | C7 | H4 | 99.4° | 120.0° |
| O3 | C6 | C7 | H5 | 141.7° | 120.0° |
| O3 | C6 | N | H28 | 165.8° | 174.4° |
| O | S | C | C1 | 22.8° | 157.0° |
| O | S | C | C16 | 158.1° | 23.5° |
| O | S | C | O4 | 130.3° | 133.0° |
| C4 | O1 | C3 | C2 | 4.0° | 0.0° |
| C4 | O1 | C3 | C5 | 174.2° | 180.0° |
| O1 | C4 | H1 | H2 | 120.0° | 120.0° |
| O1 | C4 | H1 | H3 | 120.0° | 120.0° |
| O1 | C4 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H26 | 180.0° | 179.8° |
| C1 | C2 | C3 | O1 | 178.4° | 180.0° |
| C2 | C1 | C | H27 | 180.0° | 179.7° |
| C1 | C2 | C3 | C5 | 0.3° | 0.1° |
| C2 | C1 | C | C16 | 1.6° | 0.5° |
| C2 | C1 | C | S | 177.5° | 180.0° |
| C2 | C3 | O1 | C5 | 178.2° | 179.9° |
| C3 | C2 | C1 | C | 1.4° | 0.2° |
| C2 | C3 | C5 | C16 | 0.7° | 0.1° |
| C2 | C3 | C5 | N | 179.4° | 179.7° |
| C3 | C2 | C1 | H27 | 178.6° | 180.0° |
| O1 | C3 | C5 | C16 | 177.6° | 180.0° |
| O1 | C3 | C5 | N | 1.1° | 0.3° |
| C3 | O1 | C4 | H1 | 180.0° | 180.0° |
| C3 | O1 | C4 | H2 | 60.0° | 60.0° |
| C3 | O1 | C4 | H3 | 60.0° | 60.0° |
| O1 | C3 | C2 | H26 | 1.6° | 0.2° |
| C1 | C | C16 | S | 179.0° | 179.5° |
| C1 | C | C16 | C5 | 0.6° | 0.5° |
| C1 | C | S | O4 | 107.4° | 24.0° |
| C1 | C | C16 | H25 | 179.3° | 179.5° |
| C | C1 | C2 | H26 | 178.6° | 180.0° |
| C3 | C5 | N | C6 | 160.0° | 155.5° |
| C3 | C5 | C16 | C | 0.5° | 0.2° |
| C3 | C5 | C16 | N | 178.7° | 179.7° |
| C3 | C5 | C16 | H25 | 179.5° | 179.8° |
| C5 | C3 | C2 | H26 | 179.7° | 179.7° |
| C3 | C5 | N | H28 | 20.0° | 24.5° |
| C7 | C8 | N1 | N2 | 179.3° | 180.0° |
| C8 | C7 | C6 | N | 157.3° | 180.0° |
| C8 | C7 | C6 | H4 | 120.5° | 120.0° |
| C8 | C7 | C6 | H5 | 120.5° | 120.0° |
| C8 | C7 | H4 | H5 | 118.3° | 120.0° |
| N1 | C8 | C7 | C6 | 101.9° | 0.1° |
| N1 | C8 | C7 | H4 | 18.7° | 120.0° |
| N1 | C8 | C7 | H5 | 137.6° | 120.0° |
| C8 | N1 | N2 | H6 | 178.1° | 180.0° |
| C6 | N | C5 | C16 | 21.3° | 24.8° |
| C6 | N | C5 | H28 | 180.0° | 180.0° |
| N | C6 | C7 | H4 | 82.1° | 59.9° |
| N | C6 | C7 | H5 | 36.8° | 60.0° |
| C7 | C6 | N | C5 | 167.4° | 174.5° |
| C6 | C7 | H4 | H5 | 118.3° | 119.9° |
| C7 | C6 | N | H28 | 12.6° | 5.5° |
| C | C16 | C5 | H25 | 180.0° | 180.0° |
| C | C16 | C5 | N | 179.2° | 180.0° |
| C16 | C | S | O4 | 71.7° | 156.5° |
| C16 | C | C1 | H27 | 178.4° | 179.7° |
| S | C | C16 | C5 | 178.4° | 179.9° |
| S | C | C16 | H25 | 1.6° | 0.0° |
| S | C | C1 | H27 | 2.5° | 0.2° |
| C16 | C5 | N | H28 | 158.7° | 155.2° |
| N | C5 | C16 | H25 | 0.9° | 0.0° |
| C17 | C18 | C19 | H19 | 162.4° | 162.1° |
| C17 | C18 | C19 | H20 | 44.0° | 42.1° |
| C17 | C18 | H21 | H22 | 117.2° | 120.1° |
| C18 | C17 | H23 | H24 | 118.0° | 120.6° |
| H1 | C4 | H2 | H3 | 120.0° | 120.0° |
| H7 | C11 | C12 | H8 | 1.4° | 0.0° |
| H8 | C12 | C13 | H9 | 2.5° | 0.0° |
| H9 | C13 | C14 | H10 | 1.0° | 0.1° |
| H11 | C23 | C22 | H13 | 62.2° | 78.0° |
| H11 | C23 | C22 | H14 | 56.4° | 162.0° |
| H12 | C23 | C22 | H13 | 179.4° | 42.5° |
| H12 | C23 | C22 | H14 | 62.0° | 77.4° |
| H13 | C22 | C21 | H15 | 163.9° | 72.8° |
| H13 | C22 | C21 | H16 | 79.2° | 47.0° |
| H14 | C22 | C21 | H15 | 77.5° | 167.2° |
| H14 | C22 | C21 | H16 | 39.4° | 73.0° |
| H15 | C21 | C20 | H17 | 22.2° | 44.1° |
| H15 | C21 | C20 | H18 | 95.2° | 75.3° |
| H16 | C21 | C20 | H17 | 139.1° | 163.9° |
| H16 | C21 | C20 | H18 | 21.7° | 44.6° |
| H17 | C20 | C19 | H19 | 91.8° | 113.3° |
| H17 | C20 | C19 | H20 | 149.7° | 126.6° |
| H18 | C20 | C19 | H19 | 25.6° | 6.0° |
| H18 | C20 | C19 | H20 | 92.8° | 114.1° |
| H19 | C19 | C18 | H21 | 76.7° | 77.9° |
| H19 | C19 | C18 | H22 | 41.5° | 42.1° |
| H20 | C19 | C18 | H21 | 164.9° | 162.1° |
| H20 | C19 | C18 | H22 | 76.9° | 77.9° |
| H21 | C18 | C17 | H23 | 169.4° | 167.0° |
| H21 | C18 | C17 | H24 | 71.9° | 72.5° |
| H22 | C18 | C17 | H23 | 72.3° | 72.9° |
| H22 | C18 | C17 | H24 | 46.4° | 47.5° |
| H26 | C2 | C1 | H27 | 1.4° | 0.2° |
