J3F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | sing | 1.53Å | 1.49Å | |
| C23 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C20 | sing | 1.39Å | 1.36Å | |
| N3 | C25 | sing | 1.46Å | 1.47Å | |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C20 | C21 | sing | 1.40Å | 1.41Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C22 | doub | 1.36Å | 1.36Å | Aromatic |
| C19 | C17 | sing | 1.39Å | 1.37Å | Aromatic |
| C22 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | O4 | sing | 1.35Å | 1.38Å | |
| C13 | N2 | sing | 1.47Å | 1.46Å | |
| C18 | C14 | sing | 1.47Å | 1.42Å | |
| O4 | C16 | sing | 1.34Å | 1.39Å | |
| C14 | N2 | sing | 1.38Å | 1.45Å | |
| C14 | C15 | doub | 1.38Å | 1.40Å | |
| N2 | C12 | sing | 1.46Å | 1.45Å | |
| C16 | C15 | sing | 1.40Å | 1.45Å | |
| C16 | O5 | doub | 1.22Å | 1.22Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| C11 | O3 | sing | 1.43Å | 1.40Å | |
| O3 | C8 | sing | 1.36Å | 1.35Å | |
| C8 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.49Å | |
| S1 | C3 | sing | 1.83Å | 1.81Å | |
| S1 | C1 | sing | 1.77Å | 1.76Å | |
| C4 | C3 | sing | 1.53Å | 1.48Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C1 | O1 | doub | 1.22Å | 1.21Å | |
| C1 | N1 | sing | 1.33Å | 1.37Å | |
| C2 | N1 | sing | 1.32Å | 1.37Å | |
| C2 | O2 | doub | 1.21Å | 1.20Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | N3 | 112.9° | 109.4° |
| C23 | C24 | H22 | 109.5° | 109.4° |
| C23 | C24 | H23 | 109.5° | 109.5° |
| C23 | C24 | H24 | 109.5° | 109.4° |
| C24 | C23 | H21 | 108.6° | 109.5° |
| C24 | C23 | H20 | 108.6° | 109.4° |
| C23 | N3 | C20 | 119.9° | 120.0° |
| C23 | N3 | C25 | 119.1° | 120.0° |
| N3 | C23 | H21 | 108.6° | 109.5° |
| N3 | C23 | H20 | 108.6° | 109.5° |
| C20 | N3 | C25 | 120.9° | 120.0° |
| N3 | C20 | C21 | 119.6° | 119.8° |
| N3 | C20 | C19 | 122.0° | 119.8° |
| N3 | C25 | C26 | 115.9° | 109.5° |
| N3 | C25 | H25 | 107.8° | 109.5° |
| N3 | C25 | H26 | 107.8° | 109.4° |
| C25 | C26 | H27 | 109.5° | 109.5° |
| C25 | C26 | H28 | 109.4° | 109.4° |
| C25 | C26 | H29 | 109.5° | 109.5° |
| C26 | C25 | H25 | 107.8° | 109.5° |
| C26 | C25 | H26 | 107.8° | 109.4° |
| C21 | C20 | C19 | 118.5° | 120.4° |
| C20 | C21 | C22 | 120.8° | 120.4° |
| C20 | C21 | H18 | 119.6° | 119.8° |
| C20 | C19 | C17 | 120.0° | 119.8° |
| C20 | C19 | H17 | 120.0° | 120.1° |
| C21 | C22 | C18 | 121.0° | 119.8° |
| C22 | C21 | H18 | 119.6° | 119.8° |
| C21 | C22 | H19 | 119.5° | 120.1° |
| C19 | C17 | C18 | 121.7° | 119.4° |
| C19 | C17 | O4 | 116.7° | 120.7° |
| C17 | C19 | H17 | 120.0° | 120.1° |
| C22 | C18 | C17 | 118.0° | 120.2° |
| C22 | C18 | C14 | 123.3° | 121.0° |
| C18 | C22 | H19 | 119.5° | 120.1° |
| C18 | C17 | O4 | 121.6° | 120.0° |
| C17 | C18 | C14 | 118.7° | 118.8° |
| C17 | O4 | C16 | 122.0° | 121.9° |
| C13 | N2 | C14 | 124.8° | 120.0° |
| C13 | N2 | C12 | 113.8° | 120.0° |
| N2 | C13 | H13 | 109.5° | 109.5° |
| N2 | C13 | H14 | 109.5° | 109.5° |
| N2 | C13 | H15 | 109.5° | 109.4° |
| C18 | C14 | N2 | 119.5° | 121.1° |
| C18 | C14 | C15 | 119.3° | 117.8° |
| O4 | C16 | C15 | 116.9° | 121.9° |
| O4 | C16 | O5 | 116.7° | 119.1° |
| N2 | C14 | C15 | 121.2° | 121.1° |
| C14 | N2 | C12 | 121.4° | 120.0° |
| C14 | C15 | C16 | 121.6° | 119.6° |
| C14 | C15 | H16 | 119.2° | 120.2° |
| N2 | C12 | C11 | 105.5° | 109.5° |
| N2 | C12 | H12 | 110.4° | 109.5° |
| N2 | C12 | H11 | 110.5° | 109.5° |
| C15 | C16 | O5 | 126.3° | 119.0° |
| C16 | C15 | H16 | 119.2° | 120.2° |
| C12 | C11 | O3 | 102.2° | 109.5° |
| C12 | C11 | H10 | 111.2° | 109.5° |
| C12 | C11 | H9 | 111.2° | 109.5° |
| C11 | C12 | H12 | 110.5° | 109.5° |
| C11 | C12 | H11 | 110.5° | 109.5° |
| C11 | O3 | C8 | 120.9° | 117.0° |
| O3 | C11 | H10 | 111.3° | 109.4° |
| O3 | C11 | H9 | 111.2° | 109.5° |
| O3 | C8 | C7 | 126.3° | 120.1° |
| O3 | C8 | C9 | 111.4° | 120.1° |
| C7 | C8 | C9 | 121.8° | 119.9° |
| C8 | C7 | C6 | 118.3° | 120.0° |
| C8 | C7 | H6 | 120.8° | 120.0° |
| C8 | C9 | C10 | 119.0° | 120.0° |
| C8 | C9 | H7 | 120.5° | 120.0° |
| C7 | C6 | C5 | 121.1° | 120.0° |
| C7 | C6 | H5 | 119.5° | 120.0° |
| C6 | C7 | H6 | 120.9° | 120.0° |
| C9 | C10 | C5 | 120.7° | 120.1° |
| C9 | C10 | H8 | 119.6° | 120.0° |
| C10 | C9 | H7 | 120.5° | 120.1° |
| C6 | C5 | C10 | 119.1° | 120.1° |
| C6 | C5 | C4 | 120.6° | 120.0° |
| C5 | C6 | H5 | 119.4° | 120.0° |
| C10 | C5 | C4 | 120.2° | 119.9° |
| C5 | C10 | H8 | 119.6° | 119.9° |
| C5 | C4 | C3 | 112.5° | 109.5° |
| C5 | C4 | H4 | 108.7° | 109.5° |
| C5 | C4 | H3 | 108.7° | 109.4° |
| C3 | S1 | C1 | 92.0° | 94.3° |
| S1 | C3 | C4 | 112.5° | 110.6° |
| S1 | C3 | C2 | 106.5° | 103.0° |
| S1 | C3 | H2 | 107.2° | 110.9° |
| S1 | C1 | O1 | 123.4° | 126.1° |
| S1 | C1 | N1 | 112.0° | 107.7° |
| C4 | C3 | C2 | 108.3° | 110.7° |
| C3 | C4 | H4 | 108.7° | 109.5° |
| C3 | C4 | H3 | 108.7° | 109.5° |
| C4 | C3 | H2 | 111.3° | 110.6° |
| C3 | C2 | N1 | 113.0° | 113.8° |
| C3 | C2 | O2 | 121.6° | 123.1° |
| C2 | C3 | H2 | 110.9° | 110.7° |
| O1 | C1 | N1 | 124.5° | 126.2° |
| C1 | N1 | C2 | 116.2° | 121.2° |
| C1 | N1 | H1 | 121.9° | 119.4° |
| N1 | C2 | O2 | 125.4° | 123.1° |
| C2 | N1 | H1 | 121.9° | 119.3° |
| H4 | C4 | H3 | 109.5° | 109.4° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H13 | C13 | H15 | 109.5° | 109.4° |
| H14 | C13 | H15 | 109.4° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.5° |
| H22 | C24 | H24 | 109.5° | 109.5° |
| H23 | C24 | H24 | 109.5° | 109.5° |
| H27 | C26 | H28 | 109.5° | 109.5° |
| H27 | C26 | H29 | 109.5° | 109.5° |
| H28 | C26 | H29 | 109.5° | 109.5° |
| H10 | C11 | H9 | 109.5° | 109.4° |
| H12 | C12 | H11 | 109.5° | 109.5° |
| H21 | C23 | H20 | 109.4° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | N3 | H21 | 120.5° | 120.0° |
| C24 | C23 | N3 | H20 | 120.5° | 119.9° |
| C24 | C23 | N3 | C20 | 99.7° | 90.0° |
| C24 | C23 | N3 | C25 | 79.0° | 90.0° |
| C23 | C24 | H22 | H23 | 120.0° | 120.0° |
| C23 | C24 | H22 | H24 | 120.0° | 119.9° |
| C23 | C24 | H23 | H24 | 120.0° | 119.9° |
| C24 | C23 | H21 | H20 | 118.4° | 120.0° |
| C23 | N3 | C20 | C25 | 178.7° | 179.9° |
| C23 | N3 | C25 | C26 | 13.4° | 90.0° |
| C23 | N3 | C20 | C21 | 57.5° | 180.0° |
| C23 | N3 | C20 | C19 | 121.4° | 0.0° |
| N3 | C23 | C24 | H22 | 180.0° | 60.0° |
| N3 | C23 | C24 | H23 | 60.0° | 60.0° |
| N3 | C23 | C24 | H24 | 60.0° | 180.0° |
| N3 | C23 | H21 | H20 | 118.4° | 120.1° |
| C23 | N3 | C25 | H25 | 134.3° | 30.1° |
| C23 | N3 | C25 | H26 | 107.6° | 150.1° |
| C20 | N3 | C25 | C26 | 167.9° | 89.9° |
| N3 | C20 | C21 | C19 | 178.9° | 180.0° |
| N3 | C20 | C21 | C22 | 179.6° | 180.0° |
| N3 | C20 | C19 | C17 | 179.6° | 180.0° |
| N3 | C20 | C21 | H18 | 0.4° | 0.1° |
| N3 | C20 | C19 | H17 | 0.4° | 0.0° |
| C20 | N3 | C23 | H21 | 139.7° | 150.0° |
| C20 | N3 | C23 | H20 | 20.8° | 29.9° |
| C20 | N3 | C25 | H25 | 46.9° | 150.0° |
| C20 | N3 | C25 | H26 | 71.2° | 30.0° |
| N3 | C25 | C26 | H25 | 120.9° | 120.0° |
| N3 | C25 | C26 | H26 | 120.9° | 120.0° |
| C25 | N3 | C20 | C21 | 121.3° | 0.0° |
| C25 | N3 | C20 | C19 | 59.8° | 180.0° |
| N3 | C25 | C26 | H27 | 180.0° | 60.0° |
| N3 | C25 | C26 | H28 | 60.0° | 60.0° |
| N3 | C25 | C26 | H29 | 60.0° | 180.0° |
| C25 | N3 | C23 | H21 | 41.5° | 30.0° |
| C25 | N3 | C23 | H20 | 160.4° | 150.0° |
| N3 | C25 | H25 | H26 | 117.0° | 120.0° |
| C25 | C26 | H27 | H28 | 120.0° | 120.0° |
| C25 | C26 | H27 | H29 | 120.0° | 120.0° |
| C25 | C26 | H28 | H29 | 120.0° | 120.0° |
| C26 | C25 | H25 | H26 | 117.1° | 120.0° |
| C20 | C21 | C22 | H18 | 180.0° | 179.9° |
| C21 | C20 | C19 | C17 | 1.5° | 0.0° |
| C20 | C21 | C22 | C18 | 0.3° | 0.0° |
| C20 | C21 | C22 | H19 | 179.7° | 180.0° |
| C21 | C20 | C19 | H17 | 178.5° | 180.0° |
| C19 | C20 | C21 | C22 | 1.4° | 0.0° |
| C20 | C19 | C17 | H17 | 180.0° | 180.0° |
| C20 | C19 | C17 | C18 | 0.4° | 0.1° |
| C20 | C19 | C17 | O4 | 178.3° | 179.9° |
| C19 | C20 | C21 | H18 | 178.6° | 180.0° |
| C21 | C22 | C18 | H19 | 180.0° | 180.0° |
| C21 | C22 | C18 | C17 | 0.8° | 0.1° |
| C21 | C22 | C18 | C14 | 177.3° | 179.7° |
| C19 | C17 | C18 | C22 | 0.7° | 0.1° |
| C19 | C17 | C18 | O4 | 177.7° | 179.9° |
| C19 | C17 | C18 | C14 | 177.4° | 179.7° |
| C19 | C17 | O4 | C16 | 177.8° | 179.7° |
| C22 | C18 | C17 | C14 | 176.7° | 179.8° |
| C22 | C18 | C17 | O4 | 177.0° | 179.9° |
| C22 | C18 | C14 | N2 | 2.3° | 0.3° |
| C22 | C18 | C14 | C15 | 176.8° | 179.7° |
| C18 | C22 | C21 | H18 | 179.7° | 180.0° |
| C18 | C17 | O4 | C16 | 0.0° | 0.1° |
| C17 | C18 | C14 | N2 | 178.7° | 179.9° |
| C17 | C18 | C14 | C15 | 0.3° | 0.1° |
| C17 | C18 | C22 | H19 | 179.2° | 180.0° |
| C18 | C17 | C19 | H17 | 179.6° | 179.9° |
| O4 | C17 | C18 | C14 | 0.3° | 0.2° |
| C17 | O4 | C16 | C15 | 0.4° | 0.1° |
| C17 | O4 | C16 | O5 | 177.9° | 180.0° |
| O4 | C17 | C19 | H17 | 1.7° | 0.1° |
| C13 | N2 | C14 | C18 | 11.7° | 114.5° |
| C13 | N2 | C14 | C12 | 179.0° | 180.0° |
| C13 | N2 | C14 | C15 | 167.3° | 65.5° |
| C13 | N2 | C12 | C11 | 51.4° | 90.0° |
| N2 | C13 | H13 | H14 | 120.0° | 120.0° |
| N2 | C13 | H13 | H15 | 120.0° | 120.0° |
| N2 | C13 | H14 | H15 | 120.0° | 120.0° |
| C13 | N2 | C12 | H12 | 170.7° | 30.0° |
| C13 | N2 | C12 | H11 | 68.0° | 150.0° |
| C18 | C14 | N2 | C15 | 179.0° | 180.0° |
| C18 | C14 | N2 | C12 | 169.3° | 65.5° |
| C18 | C14 | C15 | C16 | 0.1° | 0.3° |
| C18 | C14 | C15 | H16 | 179.9° | 180.0° |
| C14 | C18 | C22 | H19 | 2.7° | 0.3° |
| O4 | C16 | C15 | C14 | 0.4° | 0.3° |
| O4 | C16 | C15 | O5 | 177.2° | 179.9° |
| O4 | C16 | C15 | H16 | 179.6° | 179.9° |
| N2 | C14 | C15 | C16 | 179.1° | 179.7° |
| C14 | N2 | C12 | C11 | 129.5° | 90.0° |
| C14 | N2 | C13 | H13 | 180.0° | 35.1° |
| C14 | N2 | C13 | H14 | 60.0° | 85.0° |
| C14 | N2 | C13 | H15 | 60.0° | 155.0° |
| N2 | C14 | C15 | H16 | 0.9° | 0.1° |
| C14 | N2 | C12 | H12 | 10.2° | 150.0° |
| C14 | N2 | C12 | H11 | 111.1° | 30.0° |
| C15 | C14 | N2 | C12 | 11.7° | 114.5° |
| C14 | C15 | C16 | H16 | 180.0° | 179.7° |
| C14 | C15 | C16 | O5 | 177.6° | 179.7° |
| N2 | C12 | C11 | H12 | 119.4° | 120.0° |
| N2 | C12 | C11 | H11 | 119.4° | 120.0° |
| N2 | C12 | C11 | O3 | 143.3° | 65.0° |
| C12 | N2 | C13 | H13 | 0.9° | 145.0° |
| C12 | N2 | C13 | H14 | 119.1° | 95.0° |
| C12 | N2 | C13 | H15 | 120.9° | 25.0° |
| N2 | C12 | C11 | H10 | 97.8° | 55.0° |
| N2 | C12 | C11 | H9 | 24.5° | 175.0° |
| N2 | C12 | H12 | H11 | 121.8° | 120.0° |
| O5 | C16 | C15 | H16 | 2.3° | 0.0° |
| C12 | C11 | O3 | H10 | 118.8° | 120.0° |
| C12 | C11 | O3 | H9 | 118.8° | 120.0° |
| C12 | C11 | O3 | C8 | 147.7° | 180.0° |
| C12 | C11 | H10 | H9 | 123.4° | 120.0° |
| C11 | C12 | H12 | H11 | 121.8° | 120.0° |
| C11 | O3 | C8 | C7 | 46.9° | 180.0° |
| C11 | O3 | C8 | C9 | 141.5° | 0.0° |
| O3 | C11 | H10 | H9 | 123.4° | 120.0° |
| O3 | C11 | C12 | H12 | 24.0° | 175.0° |
| O3 | C11 | C12 | H11 | 97.3° | 55.0° |
| O3 | C8 | C7 | C9 | 170.9° | 180.0° |
| O3 | C8 | C7 | C6 | 171.9° | 180.0° |
| O3 | C8 | C9 | C10 | 174.0° | 179.7° |
| O3 | C8 | C7 | H6 | 8.2° | 0.0° |
| O3 | C8 | C9 | H7 | 6.0° | 0.1° |
| C8 | O3 | C11 | H10 | 93.5° | 60.0° |
| C8 | O3 | C11 | H9 | 28.9° | 60.0° |
| C8 | C7 | C6 | H6 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 1.9° | 0.3° |
| C8 | C7 | C6 | C5 | 0.8° | 0.0° |
| C8 | C7 | C6 | H5 | 179.2° | 180.0° |
| C7 | C8 | C9 | H7 | 178.1° | 180.0° |
| C9 | C8 | C7 | C6 | 1.0° | 0.0° |
| C8 | C9 | C10 | H7 | 180.0° | 179.6° |
| C8 | C9 | C10 | C5 | 1.0° | 0.6° |
| C9 | C8 | C7 | H6 | 179.0° | 179.9° |
| C8 | C9 | C10 | H8 | 179.0° | 179.7° |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| C7 | C6 | C5 | C10 | 1.6° | 0.3° |
| C7 | C6 | C5 | C4 | 175.4° | 180.0° |
| C9 | C10 | C5 | C6 | 0.7° | 0.6° |
| C9 | C10 | C5 | H8 | 180.0° | 179.6° |
| C9 | C10 | C5 | C4 | 176.4° | 179.7° |
| C6 | C5 | C10 | C4 | 177.1° | 179.7° |
| C6 | C5 | C4 | C3 | 90.6° | 90.0° |
| C6 | C5 | C4 | H4 | 149.0° | 149.9° |
| C6 | C5 | C4 | H3 | 29.8° | 30.0° |
| C5 | C6 | C7 | H6 | 179.2° | 179.9° |
| C6 | C5 | C10 | H8 | 179.3° | 179.8° |
| C10 | C5 | C4 | C3 | 86.4° | 90.3° |
| C10 | C5 | C4 | H4 | 34.0° | 29.7° |
| C10 | C5 | C4 | H3 | 153.1° | 149.7° |
| C10 | C5 | C6 | H5 | 178.4° | 179.7° |
| C5 | C10 | C9 | H7 | 179.0° | 179.7° |
| C5 | C4 | C3 | S1 | 72.1° | 71.5° |
| C5 | C4 | C3 | H4 | 120.4° | 120.0° |
| C5 | C4 | C3 | H3 | 120.4° | 120.0° |
| C5 | C4 | C3 | C2 | 170.5° | 175.0° |
| C5 | C4 | H4 | H3 | 118.6° | 119.9° |
| C4 | C5 | C6 | H5 | 4.6° | 0.0° |
| C4 | C5 | C10 | H8 | 3.6° | 0.1° |
| C5 | C4 | C3 | H2 | 48.3° | 51.9° |
| S1 | C3 | C4 | C2 | 117.5° | 113.5° |
| S1 | C3 | C4 | H2 | 120.3° | 123.4° |
| S1 | C3 | C2 | H2 | 116.4° | 118.7° |
| C3 | S1 | C1 | O1 | 176.9° | 179.9° |
| C3 | S1 | C1 | N1 | 3.9° | 0.2° |
| S1 | C3 | C2 | N1 | 4.8° | 0.1° |
| S1 | C3 | C2 | O2 | 173.1° | 179.9° |
| S1 | C3 | C4 | H4 | 167.5° | 168.5° |
| S1 | C3 | C4 | H3 | 48.4° | 48.5° |
| C1 | S1 | C3 | C4 | 123.3° | 118.3° |
| C1 | S1 | C3 | C2 | 4.8° | 0.0° |
| S1 | C1 | O1 | N1 | 179.1° | 179.9° |
| S1 | C1 | N1 | C2 | 1.7° | 0.3° |
| S1 | C1 | N1 | H1 | 178.3° | 180.0° |
| C1 | S1 | C3 | H2 | 114.0° | 118.5° |
| C4 | C3 | C2 | H2 | 122.4° | 123.1° |
| C4 | C3 | C2 | N1 | 126.1° | 118.4° |
| C4 | C3 | C2 | O2 | 51.9° | 61.6° |
| C3 | C4 | H4 | H3 | 118.7° | 120.0° |
| C3 | C2 | N1 | C1 | 2.2° | 0.3° |
| C3 | C2 | N1 | O2 | 177.9° | 180.0° |
| C3 | C2 | N1 | H1 | 177.8° | 180.0° |
| C2 | C3 | C4 | H4 | 50.0° | 55.0° |
| C2 | C3 | C4 | H3 | 69.1° | 65.0° |
| O1 | C1 | N1 | C2 | 179.2° | 179.8° |
| O1 | C1 | N1 | H1 | 0.9° | 0.1° |
| C1 | N1 | C2 | H1 | 180.0° | 179.7° |
| C1 | N1 | C2 | O2 | 175.6° | 179.7° |
| N1 | C2 | C3 | H2 | 111.5° | 118.5° |
| O2 | C2 | N1 | H1 | 4.3° | 0.0° |
| O2 | C2 | C3 | H2 | 70.5° | 61.5° |
| H4 | C4 | C3 | H2 | 72.2° | 68.1° |
| H3 | C4 | C3 | H2 | 168.7° | 171.9° |
| H5 | C6 | C7 | H6 | 0.8° | 0.1° |
| H8 | C10 | C9 | H7 | 1.0° | 0.1° |
| H13 | C13 | H14 | H15 | 120.0° | 120.0° |
| H18 | C21 | C22 | H19 | 0.3° | 0.0° |
| H22 | C24 | H23 | H24 | 120.0° | 120.1° |
| H22 | C24 | C23 | H21 | 59.5° | 180.0° |
| H22 | C24 | C23 | H20 | 59.5° | 60.0° |
| H23 | C24 | C23 | H21 | 60.5° | 60.0° |
| H23 | C24 | C23 | H20 | 179.5° | 180.0° |
| H24 | C24 | C23 | H21 | 179.5° | 60.0° |
| H24 | C24 | C23 | H20 | 60.5° | 60.0° |
| H27 | C26 | H28 | H29 | 120.0° | 120.0° |
| H27 | C26 | C25 | H25 | 59.1° | 180.0° |
| H27 | C26 | C25 | H26 | 59.1° | 60.0° |
| H28 | C26 | C25 | H25 | 179.1° | 60.0° |
| H28 | C26 | C25 | H26 | 60.9° | 180.0° |
| H29 | C26 | C25 | H25 | 60.9° | 60.0° |
| H29 | C26 | C25 | H26 | 179.1° | 60.0° |
| H10 | C11 | C12 | H12 | 142.8° | 65.0° |
| H10 | C11 | C12 | H11 | 21.6° | 175.0° |
| H9 | C11 | C12 | H12 | 94.8° | 55.0° |
| H9 | C11 | C12 | H11 | 143.9° | 65.0° |
