096
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | C6 | sing | 1.84Å | 1.75Å | |
| S | C5 | sing | 1.84Å | 1.77Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C8 | N1 | sing | 1.40Å | 1.42Å | |
| N1 | C7 | sing | 1.33Å | 1.35Å | |
| N1 | C5 | sing | 1.47Å | 1.48Å | |
| O1 | C2 | sing | 1.36Å | 1.37Å | |
| C2 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C12 | sing | 1.32Å | 1.35Å | Aromatic |
| O2 | C7 | doub | 1.21Å | 1.22Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | N3 | sing | 1.47Å | 1.47Å | |
| C17 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C16 | sing | 1.47Å | 1.46Å | |
| O3 | C23 | sing | 1.36Å | 1.37Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C19 | N4 | sing | 1.47Å | 1.46Å | |
| C18 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | C20 | sing | 1.47Å | 1.46Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | C6 | sing | 1.52Å | 1.51Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | S | C5 | 98.8° | 94.2° |
| S | C6 | C7 | 103.5° | 102.2° |
| S | C6 | H6 | 111.5° | 110.9° |
| S | C6 | H6A | 111.5° | 110.9° |
| S | C5 | N1 | 103.4° | 103.1° |
| S | C5 | C4 | 113.5° | 110.7° |
| S | C5 | H5 | 113.5° | 110.7° |
| O1 | C1 | H1 | 109.5° | 109.4° |
| O1 | C1 | H1A | 109.4° | 109.5° |
| O1 | C1 | H1B | 109.5° | 109.5° |
| C1 | O1 | C2 | 122.1° | 117.0° |
| H1 | C1 | H1A | 109.5° | 109.4° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| C8 | N1 | C7 | 120.1° | 121.0° |
| C8 | N1 | C5 | 122.6° | 121.0° |
| N1 | C8 | C9 | 121.0° | 120.5° |
| N1 | C8 | C12 | 120.6° | 120.4° |
| C7 | N1 | C5 | 117.2° | 118.0° |
| N1 | C7 | O2 | 125.3° | 121.8° |
| N1 | C7 | C6 | 115.4° | 116.4° |
| N1 | C5 | C4 | 116.1° | 110.7° |
| N1 | C5 | H5 | 110.8° | 110.8° |
| O1 | C2 | C23 | 119.9° | 120.1° |
| O1 | C2 | C3 | 120.5° | 120.0° |
| C23 | C2 | C3 | 119.6° | 119.8° |
| C2 | C23 | O3 | 120.7° | 120.1° |
| C2 | C23 | C22 | 119.4° | 119.9° |
| C2 | C3 | C4 | 121.8° | 120.0° |
| C2 | C3 | H3 | 119.1° | 120.0° |
| C11 | N2 | C12 | 121.2° | 121.8° |
| N2 | C11 | C10 | 120.4° | 120.9° |
| N2 | C11 | H11 | 119.8° | 119.5° |
| N2 | C12 | C8 | 121.1° | 120.6° |
| N2 | C12 | H12 | 119.4° | 119.7° |
| O2 | C7 | C6 | 119.3° | 121.8° |
| C4 | C3 | H3 | 119.1° | 120.0° |
| C3 | C4 | C13 | 118.0° | 120.1° |
| C3 | C4 | C5 | 120.9° | 119.9° |
| C21 | N3 | C17 | 121.5° | 110.9° |
| C21 | N3 | C16 | 120.2° | 111.0° |
| N3 | C21 | C20 | 106.6° | 109.3° |
| N3 | C21 | H21 | 110.4° | 109.4° |
| N3 | C21 | H21A | 110.4° | 109.5° |
| C17 | N3 | C16 | 118.3° | 111.0° |
| N3 | C17 | C18 | 108.4° | 109.4° |
| N3 | C17 | H17 | 109.8° | 109.5° |
| N3 | C17 | H17A | 109.8° | 109.5° |
| N3 | C16 | C15 | 105.6° | 109.4° |
| N3 | C16 | H16 | 110.8° | 109.5° |
| N3 | C16 | H16A | 110.7° | 109.5° |
| C23 | O3 | HO3 | 109.5° | 114.0° |
| O3 | C23 | C22 | 119.9° | 120.1° |
| C13 | C4 | C5 | 121.1° | 119.9° |
| C4 | C13 | C22 | 120.1° | 120.1° |
| C4 | C13 | C14 | 122.5° | 120.0° |
| C4 | C5 | H5 | 100.0° | 110.7° |
| C19 | N4 | C18 | 119.3° | 111.0° |
| C19 | N4 | C20 | 118.7° | 111.0° |
| N4 | C19 | H19 | 109.5° | 109.5° |
| N4 | C19 | H19A | 109.5° | 109.4° |
| N4 | C19 | H19B | 109.5° | 109.4° |
| C18 | N4 | C20 | 122.0° | 110.9° |
| N4 | C18 | C17 | 107.8° | 109.4° |
| N4 | C18 | H18 | 110.0° | 109.5° |
| N4 | C18 | H18A | 110.1° | 109.5° |
| N4 | C20 | C21 | 107.4° | 109.4° |
| N4 | C20 | H20 | 110.2° | 109.5° |
| N4 | C20 | H20A | 110.2° | 109.5° |
| C7 | C6 | H6 | 111.5° | 110.8° |
| C7 | C6 | H6A | 111.5° | 111.0° |
| H6 | C6 | H6A | 107.3° | 110.7° |
| C9 | C8 | C12 | 118.4° | 119.1° |
| C8 | C9 | C10 | 119.4° | 118.3° |
| C8 | C9 | H9 | 120.3° | 120.9° |
| C8 | C12 | H12 | 119.5° | 119.7° |
| C10 | C9 | H9 | 120.3° | 120.8° |
| C9 | C10 | C11 | 119.5° | 119.3° |
| C9 | C10 | H10 | 120.2° | 120.3° |
| C11 | C10 | H10 | 120.3° | 120.4° |
| C10 | C11 | H11 | 119.8° | 119.6° |
| C22 | C13 | C14 | 117.4° | 119.9° |
| C13 | C22 | C23 | 121.1° | 120.0° |
| C13 | C22 | H22 | 119.5° | 120.0° |
| C13 | C14 | C15 | 107.7° | 109.5° |
| C13 | C14 | H14 | 110.1° | 109.5° |
| C13 | C14 | H14A | 110.1° | 109.4° |
| C15 | C14 | H14 | 110.1° | 109.5° |
| C15 | C14 | H14A | 110.1° | 109.5° |
| C14 | C15 | C16 | 113.2° | 109.5° |
| C14 | C15 | H15 | 108.3° | 109.5° |
| C14 | C15 | H15A | 108.2° | 109.5° |
| H14 | C14 | H14A | 108.8° | 109.5° |
| C16 | C15 | H15 | 108.2° | 109.5° |
| C16 | C15 | H15A | 108.2° | 109.5° |
| C15 | C16 | H16 | 110.8° | 109.5° |
| C15 | C16 | H16A | 110.8° | 109.5° |
| H15 | C15 | H15A | 110.7° | 109.5° |
| H16 | C16 | H16A | 108.2° | 109.5° |
| C18 | C17 | H17 | 109.8° | 109.5° |
| C18 | C17 | H17A | 109.8° | 109.5° |
| C17 | C18 | H18 | 110.0° | 109.5° |
| C17 | C18 | H18A | 110.0° | 109.5° |
| H17 | C17 | H17A | 109.1° | 109.5° |
| H18 | C18 | H18A | 108.9° | 109.5° |
| H19 | C19 | H19A | 109.4° | 109.5° |
| H19 | C19 | H19B | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| C21 | C20 | H20 | 110.2° | 109.5° |
| C21 | C20 | H20A | 110.2° | 109.5° |
| C20 | C21 | H21 | 110.4° | 109.5° |
| C20 | C21 | H21A | 110.4° | 109.5° |
| H20 | C20 | H20A | 108.7° | 109.5° |
| H21 | C21 | H21A | 108.5° | 109.5° |
| C23 | C22 | H22 | 119.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S | C6 | C7 | N1 | 6.7° | 16.1° |
| C6 | S | C5 | N1 | 12.0° | 22.0° |
| S | C6 | C7 | O2 | 173.9° | 163.8° |
| C6 | S | C5 | C4 | 138.6° | 140.3° |
| C6 | S | C5 | H5 | 108.1° | 96.5° |
| S | C6 | C7 | H6 | 120.0° | 118.2° |
| S | C6 | C7 | H6A | 120.0° | 118.3° |
| S | C6 | H6 | H6A | 122.4° | 123.5° |
| S | C5 | N1 | C8 | 171.9° | 163.3° |
| S | C5 | N1 | C7 | 9.9° | 16.8° |
| S | C5 | N1 | C4 | 125.0° | 118.4° |
| S | C5 | N1 | H5 | 121.9° | 118.4° |
| S | C5 | C4 | C3 | 104.4° | 78.4° |
| S | C5 | C4 | C13 | 76.5° | 101.6° |
| S | C5 | C4 | H5 | 121.2° | 123.1° |
| C5 | S | C6 | C7 | 10.9° | 21.5° |
| C5 | S | C6 | H6 | 109.1° | 96.7° |
| C5 | S | C6 | H6A | 130.9° | 139.9° |
| O1 | C1 | H1 | H1A | 120.0° | 119.9° |
| O1 | C1 | H1 | H1B | 120.0° | 120.0° |
| O1 | C1 | H1A | H1B | 120.0° | 120.1° |
| C1 | O1 | C2 | C23 | 96.2° | 180.0° |
| C1 | O1 | C2 | C3 | 84.5° | 0.2° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | O1 | C2 | 180.0° | 60.1° |
| H1A | C1 | O1 | C2 | 60.0° | 180.0° |
| H1B | C1 | O1 | C2 | 60.0° | 59.9° |
| C8 | N1 | C7 | C5 | 178.2° | 180.0° |
| N1 | C8 | C12 | N2 | 179.4° | 180.0° |
| C8 | N1 | C7 | O2 | 1.1° | 0.3° |
| C8 | N1 | C5 | C4 | 46.9° | 44.9° |
| C8 | N1 | C5 | H5 | 66.2° | 78.3° |
| C8 | N1 | C7 | C6 | 179.5° | 179.6° |
| N1 | C8 | C9 | C12 | 179.6° | 179.9° |
| N1 | C8 | C9 | C10 | 179.2° | 180.0° |
| N1 | C8 | C9 | H9 | 0.8° | 0.0° |
| N1 | C8 | C12 | H12 | 0.6° | 0.0° |
| N1 | C7 | O2 | C6 | 179.4° | 179.9° |
| C7 | N1 | C5 | C4 | 134.9° | 135.2° |
| C7 | N1 | C5 | H5 | 112.0° | 101.7° |
| N1 | C7 | C6 | H6 | 113.3° | 102.1° |
| N1 | C7 | C6 | H6A | 126.7° | 134.4° |
| C7 | N1 | C8 | C9 | 48.7° | 118.6° |
| C7 | N1 | C8 | C12 | 130.9° | 61.5° |
| C5 | N1 | C7 | O2 | 177.1° | 179.7° |
| N1 | C5 | C4 | C3 | 15.3° | 35.2° |
| N1 | C5 | C4 | C13 | 163.9° | 144.8° |
| N1 | C5 | C4 | H5 | 119.2° | 123.2° |
| C5 | N1 | C7 | C6 | 2.3° | 0.4° |
| C5 | N1 | C8 | C9 | 133.2° | 61.4° |
| C5 | N1 | C8 | C12 | 47.3° | 118.6° |
| O1 | C2 | C23 | C3 | 179.3° | 179.8° |
| O1 | C2 | C3 | C4 | 179.8° | 179.9° |
| O1 | C2 | C3 | H3 | 0.2° | 0.1° |
| O1 | C2 | C23 | O3 | 0.5° | 0.1° |
| O1 | C2 | C23 | C22 | 179.5° | 179.7° |
| C23 | C2 | C3 | C4 | 0.5° | 0.3° |
| C23 | C2 | C3 | H3 | 179.5° | 179.8° |
| C2 | C23 | O3 | C22 | 179.9° | 179.8° |
| C2 | C23 | O3 | HO3 | 180.0° | 90.0° |
| C2 | C23 | C22 | C13 | 0.0° | 0.4° |
| C2 | C23 | C22 | H22 | 180.0° | 179.7° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C3 | C2 | C23 | O3 | 179.8° | 179.7° |
| C2 | C3 | C4 | C13 | 0.6° | 0.0° |
| C2 | C3 | C4 | C5 | 179.8° | 180.0° |
| C3 | C2 | C23 | C22 | 0.2° | 0.5° |
| C11 | N2 | C12 | C8 | 0.0° | 0.1° |
| N2 | C11 | C10 | C9 | 0.2° | 0.0° |
| N2 | C11 | C10 | H11 | 180.0° | 180.0° |
| N2 | C11 | C10 | H10 | 179.8° | 180.0° |
| C11 | N2 | C12 | H12 | 180.0° | 180.0° |
| N2 | C12 | C8 | C9 | 0.2° | 0.1° |
| N2 | C12 | C8 | H12 | 180.0° | 179.9° |
| C12 | N2 | C11 | C10 | 0.0° | 0.1° |
| C12 | N2 | C11 | H11 | 180.0° | 179.9° |
| O2 | C7 | C6 | H6 | 66.1° | 78.0° |
| O2 | C7 | C6 | H6A | 53.9° | 45.5° |
| C3 | C4 | C13 | C5 | 179.2° | 180.0° |
| C3 | C4 | C5 | H5 | 134.4° | 158.4° |
| C3 | C4 | C13 | C22 | 0.4° | 0.1° |
| C3 | C4 | C13 | C14 | 179.8° | 180.0° |
| H3 | C3 | C4 | C13 | 179.3° | 180.0° |
| H3 | C3 | C4 | C5 | 0.2° | 0.0° |
| C21 | N3 | C17 | C16 | 179.9° | 123.9° |
| N3 | C21 | C20 | N4 | 57.5° | 58.4° |
| C21 | N3 | C16 | C15 | 62.8° | 46.2° |
| C21 | N3 | C16 | H16 | 57.3° | 166.2° |
| C21 | N3 | C16 | H16A | 177.3° | 73.7° |
| C21 | N3 | C17 | C18 | 12.7° | 59.3° |
| C21 | N3 | C17 | H17 | 132.7° | 60.7° |
| C21 | N3 | C17 | H17A | 107.3° | 179.3° |
| N3 | C21 | C20 | H21 | 120.0° | 119.9° |
| N3 | C21 | C20 | H21A | 120.0° | 120.0° |
| N3 | C21 | C20 | H20 | 177.6° | 178.4° |
| N3 | C21 | C20 | H20A | 62.5° | 61.5° |
| N3 | C21 | H21 | H21A | 121.2° | 120.1° |
| N3 | C17 | C18 | N4 | 53.4° | 58.4° |
| C17 | N3 | C16 | C15 | 117.3° | 170.0° |
| C17 | N3 | C16 | H16 | 122.6° | 70.0° |
| C17 | N3 | C16 | H16A | 2.6° | 50.0° |
| N3 | C17 | C18 | H17 | 120.0° | 119.9° |
| N3 | C17 | C18 | H17A | 120.0° | 120.0° |
| N3 | C17 | H17 | H17A | 120.5° | 120.0° |
| N3 | C17 | C18 | H18 | 173.4° | 61.6° |
| N3 | C17 | C18 | H18A | 66.6° | 178.4° |
| C17 | N3 | C21 | C20 | 44.3° | 59.3° |
| C17 | N3 | C21 | H21 | 164.3° | 179.3° |
| C17 | N3 | C21 | H21A | 75.6° | 60.7° |
| N3 | C16 | C15 | C14 | 149.5° | 180.0° |
| N3 | C16 | C15 | H16 | 120.0° | 120.0° |
| N3 | C16 | C15 | H16A | 120.0° | 120.0° |
| N3 | C16 | C15 | H15 | 90.5° | 60.0° |
| N3 | C16 | C15 | H15A | 29.5° | 60.0° |
| N3 | C16 | H16 | H16A | 121.5° | 120.0° |
| C16 | N3 | C17 | C18 | 167.4° | 176.8° |
| C16 | N3 | C17 | H17 | 47.4° | 63.2° |
| C16 | N3 | C17 | H17A | 72.6° | 56.8° |
| C16 | N3 | C21 | C20 | 135.6° | 176.8° |
| C16 | N3 | C21 | H21 | 15.6° | 56.9° |
| C16 | N3 | C21 | H21A | 104.5° | 63.2° |
| O3 | C23 | C22 | C13 | 180.0° | 179.8° |
| O3 | C23 | C22 | H22 | 0.0° | 0.1° |
| HO3 | O3 | C23 | C22 | 0.1° | 89.8° |
| C13 | C4 | C5 | H5 | 44.7° | 21.6° |
| C4 | C13 | C22 | C14 | 179.4° | 179.9° |
| C4 | C13 | C14 | C15 | 120.5° | 85.0° |
| C4 | C13 | C14 | H14 | 0.5° | 155.0° |
| C4 | C13 | C14 | H14A | 119.5° | 35.0° |
| C4 | C13 | C22 | C23 | 0.1° | 0.2° |
| C4 | C13 | C22 | H22 | 179.9° | 180.0° |
| C5 | C4 | C13 | C22 | 179.6° | 179.9° |
| C5 | C4 | C13 | C14 | 1.0° | 0.0° |
| C19 | N4 | C18 | C20 | 180.0° | 123.9° |
| C19 | N4 | C18 | C17 | 140.4° | 176.8° |
| C19 | N4 | C18 | H18 | 20.4° | 63.3° |
| C19 | N4 | C18 | H18A | 99.6° | 56.8° |
| N4 | C19 | H19 | H19A | 120.0° | 120.0° |
| N4 | C19 | H19 | H19B | 120.0° | 120.0° |
| N4 | C19 | H19A | H19B | 120.0° | 119.9° |
| C19 | N4 | C20 | C21 | 162.6° | 176.8° |
| C19 | N4 | C20 | H20 | 42.6° | 56.8° |
| C19 | N4 | C20 | H20A | 77.3° | 63.2° |
| N4 | C18 | C17 | H18 | 120.0° | 120.0° |
| N4 | C18 | C17 | H18A | 120.0° | 120.0° |
| N4 | C18 | C17 | H17 | 173.4° | 61.6° |
| N4 | C18 | C17 | H17A | 66.6° | 178.3° |
| N4 | C18 | H18 | H18A | 120.7° | 120.1° |
| C18 | N4 | C19 | H19 | 180.0° | 176.2° |
| C18 | N4 | C19 | H19A | 60.0° | 56.2° |
| C18 | N4 | C19 | H19B | 60.0° | 63.8° |
| C18 | N4 | C20 | C21 | 17.3° | 59.3° |
| C18 | N4 | C20 | H20 | 137.3° | 179.3° |
| C18 | N4 | C20 | H20A | 102.7° | 60.7° |
| C20 | N4 | C18 | C17 | 39.6° | 59.3° |
| C20 | N4 | C18 | H18 | 159.6° | 60.6° |
| C20 | N4 | C18 | H18A | 80.4° | 179.3° |
| C20 | N4 | C19 | H19 | 0.0° | 60.0° |
| C20 | N4 | C19 | H19A | 120.0° | 180.0° |
| C20 | N4 | C19 | H19B | 120.0° | 60.1° |
| N4 | C20 | C21 | H20 | 120.0° | 120.0° |
| N4 | C20 | C21 | H20A | 120.0° | 120.0° |
| N4 | C20 | H20 | H20A | 120.8° | 120.0° |
| N4 | C20 | C21 | H21 | 177.5° | 178.3° |
| N4 | C20 | C21 | H21A | 62.4° | 61.6° |
| C7 | C6 | H6 | H6A | 122.4° | 123.7° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.4° | 0.0° |
| C8 | C9 | C10 | H10 | 179.6° | 180.0° |
| C9 | C8 | C12 | H12 | 179.8° | 180.0° |
| C12 | C8 | C9 | C10 | 0.4° | 0.0° |
| C12 | C8 | C9 | H9 | 179.6° | 179.9° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | H11 | 179.8° | 180.0° |
| H9 | C9 | C10 | C11 | 179.6° | 180.0° |
| H9 | C9 | C10 | H10 | 0.4° | 0.0° |
| H10 | C10 | C11 | H11 | 0.2° | 0.0° |
| C22 | C13 | C14 | C15 | 58.9° | 94.9° |
| C22 | C13 | C14 | H14 | 178.9° | 25.1° |
| C22 | C13 | C14 | H14A | 61.1° | 145.1° |
| C13 | C22 | C23 | H22 | 180.0° | 179.9° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14A | 120.7° | 120.0° |
| C13 | C14 | C15 | C16 | 144.2° | 180.0° |
| C13 | C14 | C15 | H15 | 95.8° | 60.0° |
| C13 | C14 | C15 | H15A | 24.2° | 60.0° |
| C14 | C13 | C22 | C23 | 179.6° | 179.8° |
| C14 | C13 | C22 | H22 | 0.5° | 0.1° |
| C15 | C14 | H14 | H14A | 120.7° | 120.0° |
| C14 | C15 | C16 | H15 | 120.0° | 120.0° |
| C14 | C15 | C16 | H15A | 120.0° | 120.0° |
| C14 | C15 | H15 | H15A | 118.4° | 120.0° |
| C14 | C15 | C16 | H16 | 90.5° | 60.0° |
| C14 | C15 | C16 | H16A | 29.5° | 60.0° |
| H14 | C14 | C15 | C16 | 24.2° | 60.0° |
| H14 | C14 | C15 | H15 | 144.2° | 180.0° |
| H14 | C14 | C15 | H15A | 95.8° | 60.0° |
| H14A | C14 | C15 | C16 | 95.8° | 60.0° |
| H14A | C14 | C15 | H15 | 24.2° | 60.0° |
| H14A | C14 | C15 | H15A | 144.2° | NaN° |
| C16 | C15 | H15 | H15A | 118.5° | 120.0° |
| C15 | C16 | H16 | H16A | 121.6° | 120.0° |
| H15 | C15 | C16 | H16 | 29.5° | 60.0° |
| H15 | C15 | C16 | H16A | 149.5° | 180.0° |
| H15A | C15 | C16 | H16 | 149.5° | 180.0° |
| H15A | C15 | C16 | H16A | 90.5° | 60.0° |
| C18 | C17 | H17 | H17A | 120.5° | 120.1° |
| C17 | C18 | H18 | H18A | 120.7° | 120.0° |
| H17 | C17 | C18 | H18 | 66.6° | 178.5° |
| H17 | C17 | C18 | H18A | 53.4° | 58.4° |
| H17A | C17 | C18 | H18 | 53.4° | 58.4° |
| H17A | C17 | C18 | H18A | 173.4° | 61.6° |
| H19 | C19 | H19A | H19B | 120.0° | 120.1° |
| C21 | C20 | H20 | H20A | 120.8° | 120.1° |
| C20 | C21 | H21 | H21A | 121.2° | 120.1° |
| H20 | C20 | C21 | H21 | 62.5° | 61.7° |
| H20 | C20 | C21 | H21A | 57.6° | 58.4° |
| H20A | C20 | C21 | H21 | 57.5° | 58.4° |
| H20A | C20 | C21 | H21A | 177.6° | 178.4° |
