YF2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| N1 | C3 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.36Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C10 | C9 | sing | 1.38Å | 1.35Å | Aromatic |
| C12 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C8 | C2 | sing | 1.51Å | 1.56Å | |
| C9 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | N3 | sing | 1.46Å | 1.47Å | |
| C22 | N5 | sing | 1.37Å | 1.36Å | |
| C22 | C21 | doub | 1.35Å | 1.30Å | |
| N5 | C23 | sing | 1.34Å | 1.38Å | |
| C21 | C20 | sing | 1.46Å | 1.41Å | |
| N3 | C30 | sing | 1.37Å | 1.37Å | Aromatic |
| N3 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | O1 | doub | 1.22Å | 1.25Å | |
| C23 | C19 | sing | 1.41Å | 1.41Å | |
| C30 | C29 | doub | 1.34Å | 1.36Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C28 | sing | 1.41Å | 1.41Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C16 | sing | 1.46Å | 1.43Å | Aromatic |
| C19 | N4 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.48Å | 1.47Å | |
| C16 | C17 | doub | 1.36Å | 1.37Å | Aromatic |
| C29 | C28 | sing | 1.46Å | 1.43Å | Aromatic |
| C15 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C28 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
| N4 | C17 | sing | 1.36Å | 1.34Å | Aromatic |
| N4 | C18 | sing | 1.47Å | 1.47Å | |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | N6 | sing | 1.40Å | 1.44Å | |
| N6 | S1 | sing | 1.66Å | 1.64Å | |
| O2 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | C26 | sing | 1.81Å | 1.77Å | |
| S1 | O3 | doub | 1.42Å | 1.42Å | |
| C26 | C27 | sing | 1.53Å | 1.49Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| N5 | H19 | sing | 0.97Å | 1.00Å | |
| C24 | H20 | sing | 1.08Å | 1.08Å | |
| N6 | H21 | sing | 0.97Å | 1.00Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C7 | C6 | 124.9° | 120.8° |
| C7 | N1 | C3 | 116.9° | 121.7° |
| N1 | C7 | H7 | 117.6° | 119.6° |
| C7 | C6 | C5 | 117.5° | 119.1° |
| C7 | C6 | H6 | 121.2° | 120.4° |
| C6 | C7 | H7 | 117.5° | 119.6° |
| N1 | C3 | C2 | 116.9° | 119.6° |
| N1 | C3 | C4 | 121.2° | 120.8° |
| C6 | C5 | C4 | 119.1° | 118.5° |
| C6 | C5 | H5 | 120.5° | 120.8° |
| C5 | C6 | H6 | 121.3° | 120.5° |
| C10 | C11 | C12 | 117.8° | 118.4° |
| C11 | C10 | C9 | 119.0° | 119.2° |
| C11 | C10 | H9 | 120.5° | 120.4° |
| C10 | C11 | H10 | 121.1° | 120.8° |
| C11 | C12 | C8 | 120.3° | 119.2° |
| C12 | C11 | H10 | 121.1° | 120.8° |
| C11 | C12 | H11 | 119.8° | 120.4° |
| C1 | C2 | C3 | 103.5° | 109.5° |
| C1 | C2 | C8 | 112.3° | 109.4° |
| C1 | C2 | N3 | 110.3° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C10 | C9 | N2 | 124.6° | 120.8° |
| C10 | C9 | H8 | 117.7° | 119.6° |
| C9 | C10 | H9 | 120.5° | 120.4° |
| C12 | C8 | N2 | 121.3° | 120.7° |
| C12 | C8 | C2 | 122.5° | 119.7° |
| C8 | C12 | H11 | 119.9° | 120.4° |
| C2 | C3 | C4 | 121.7° | 119.6° |
| C3 | C2 | C8 | 115.0° | 109.5° |
| C3 | C2 | N3 | 110.9° | 109.5° |
| C3 | C4 | C5 | 120.0° | 119.1° |
| C3 | C4 | H4 | 120.0° | 120.4° |
| N2 | C8 | C2 | 116.1° | 119.6° |
| C8 | N2 | C9 | 117.1° | 121.7° |
| C8 | C2 | N3 | 104.8° | 109.5° |
| N2 | C9 | H8 | 117.7° | 119.6° |
| C5 | C4 | H4 | 120.0° | 120.4° |
| C4 | C5 | H5 | 120.4° | 120.8° |
| C2 | N3 | C30 | 125.5° | 125.1° |
| C2 | N3 | C13 | 125.4° | 125.1° |
| N5 | C22 | C21 | 122.6° | 121.0° |
| C22 | N5 | C23 | 124.9° | 122.3° |
| N5 | C22 | H18 | 118.7° | 119.5° |
| C22 | N5 | H19 | 117.5° | 118.8° |
| C22 | C21 | C20 | 118.2° | 118.8° |
| C22 | C21 | H17 | 120.9° | 120.5° |
| C21 | C22 | H18 | 118.7° | 119.5° |
| N5 | C23 | O1 | 119.7° | 119.8° |
| N5 | C23 | C19 | 112.2° | 120.3° |
| C23 | N5 | H19 | 117.5° | 118.9° |
| C21 | C20 | C19 | 118.6° | 119.0° |
| C21 | C20 | C16 | 134.8° | 134.8° |
| C20 | C21 | H17 | 120.9° | 120.7° |
| C30 | N3 | C13 | 108.0° | 109.8° |
| N3 | C30 | C29 | 110.2° | 109.9° |
| N3 | C30 | H28 | 124.9° | 125.0° |
| N3 | C13 | C14 | 131.9° | 133.2° |
| N3 | C13 | C28 | 107.7° | 107.2° |
| O1 | C23 | C19 | 128.1° | 119.8° |
| C23 | C19 | C20 | 122.9° | 118.6° |
| C23 | C19 | N4 | 129.1° | 134.0° |
| C30 | C29 | C28 | 107.5° | 107.0° |
| C30 | C29 | H27 | 126.2° | 126.5° |
| C29 | C30 | H28 | 124.9° | 125.1° |
| C13 | C14 | C15 | 119.3° | 120.0° |
| C14 | C13 | C28 | 120.4° | 119.6° |
| C13 | C14 | H12 | 120.3° | 120.0° |
| C14 | C15 | C16 | 119.0° | 119.8° |
| C14 | C15 | C24 | 120.8° | 120.4° |
| C15 | C14 | H12 | 120.4° | 120.0° |
| C13 | C28 | C29 | 106.6° | 106.1° |
| C13 | C28 | C25 | 120.0° | 120.1° |
| C19 | C20 | C16 | 106.5° | 106.3° |
| C20 | C19 | N4 | 107.7° | 107.4° |
| C20 | C16 | C15 | 128.3° | 126.7° |
| C20 | C16 | C17 | 106.1° | 106.5° |
| C19 | N4 | C17 | 108.8° | 110.2° |
| C19 | N4 | C18 | 125.3° | 124.9° |
| C15 | C16 | C17 | 125.6° | 126.7° |
| C16 | C15 | C24 | 120.2° | 119.8° |
| C16 | C17 | N4 | 110.8° | 109.6° |
| C16 | C17 | H13 | 124.6° | 125.2° |
| C29 | C28 | C25 | 133.4° | 133.8° |
| C28 | C29 | H27 | 126.2° | 126.5° |
| C15 | C24 | C25 | 120.8° | 120.2° |
| C15 | C24 | H20 | 119.6° | 119.9° |
| C28 | C25 | C24 | 118.6° | 119.7° |
| C28 | C25 | N6 | 116.7° | 120.2° |
| C17 | N4 | C18 | 125.8° | 124.9° |
| N4 | C17 | H13 | 124.6° | 125.2° |
| N4 | C18 | H14 | 109.5° | 109.5° |
| N4 | C18 | H15 | 109.5° | 109.5° |
| N4 | C18 | H16 | 109.5° | 109.5° |
| C24 | C25 | N6 | 124.6° | 120.2° |
| C25 | C24 | H20 | 119.6° | 119.9° |
| C25 | N6 | S1 | 121.8° | 119.9° |
| C25 | N6 | H21 | 106.3° | 120.0° |
| N6 | S1 | O2 | 110.8° | 104.3° |
| N6 | S1 | C26 | 106.0° | 104.5° |
| N6 | S1 | O3 | 104.5° | 104.2° |
| S1 | N6 | H21 | 106.3° | 120.1° |
| O2 | S1 | C26 | 109.3° | 110.6° |
| O2 | S1 | O3 | 117.8° | 121.0° |
| C26 | S1 | O3 | 107.7° | 110.5° |
| S1 | C26 | C27 | 113.3° | 109.5° |
| S1 | C26 | H22 | 108.5° | 109.4° |
| S1 | C26 | H23 | 108.5° | 109.5° |
| C27 | C26 | H22 | 108.5° | 109.4° |
| C27 | C26 | H23 | 108.5° | 109.5° |
| C26 | C27 | H26 | 109.5° | 109.4° |
| C26 | C27 | H24 | 109.5° | 109.4° |
| C26 | C27 | H25 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.4° | 109.4° |
| H14 | C18 | H16 | 109.5° | 109.4° |
| H15 | C18 | H16 | 109.4° | 109.5° |
| H22 | C26 | H23 | 109.5° | 109.5° |
| H26 | C27 | H24 | 109.4° | 109.5° |
| H26 | C27 | H25 | 109.4° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C7 | C6 | H7 | 180.0° | 179.6° |
| N1 | C7 | C6 | C5 | 6.9° | 0.2° |
| C7 | N1 | C3 | C2 | 173.6° | 179.7° |
| C7 | N1 | C3 | C4 | 1.7° | 0.6° |
| N1 | C7 | C6 | H6 | 173.1° | 179.7° |
| C6 | C7 | N1 | C3 | 6.8° | 0.6° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 1.7° | 0.0° |
| C7 | C6 | C5 | H5 | 178.3° | 180.0° |
| N1 | C3 | C2 | C1 | 87.7° | 136.2° |
| N1 | C3 | C2 | C4 | 175.3° | 179.7° |
| N1 | C3 | C2 | C8 | 35.3° | 103.8° |
| N1 | C3 | C4 | C5 | 3.0° | 0.3° |
| N1 | C3 | C2 | N3 | 154.0° | 16.2° |
| N1 | C3 | C4 | H4 | 177.1° | 179.7° |
| C3 | N1 | C7 | H7 | 173.2° | 179.9° |
| C6 | C5 | C4 | C3 | 2.9° | 0.0° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | H4 | 177.1° | 180.0° |
| C5 | C6 | C7 | H7 | 173.1° | 179.8° |
| C10 | C11 | C12 | H10 | 180.0° | 179.8° |
| C11 | C10 | C9 | H9 | 180.0° | 180.0° |
| C10 | C11 | C12 | C8 | 2.9° | 0.6° |
| C11 | C10 | C9 | N2 | 0.2° | 0.0° |
| C11 | C10 | C9 | H8 | 179.8° | 180.0° |
| C10 | C11 | C12 | H11 | 177.1° | 180.0° |
| C12 | C11 | C10 | C9 | 1.4° | 0.3° |
| C11 | C12 | C8 | H11 | 180.0° | 179.4° |
| C11 | C12 | C8 | N2 | 2.9° | 0.6° |
| C11 | C12 | C8 | C2 | 178.8° | 179.7° |
| C12 | C11 | C10 | H9 | 178.6° | 179.7° |
| C1 | C2 | C8 | C12 | 132.9° | 75.3° |
| C1 | C2 | C3 | C8 | 122.9° | 120.0° |
| C1 | C2 | C3 | N3 | 118.3° | 120.0° |
| C1 | C2 | C3 | C4 | 87.6° | 44.0° |
| C1 | C2 | C8 | N2 | 50.9° | 105.0° |
| C1 | C2 | C8 | N3 | 119.8° | 120.0° |
| C1 | C2 | N3 | C30 | 23.7° | 5.2° |
| C1 | C2 | N3 | C13 | 169.3° | 174.4° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H1 | 120.0° | 120.0° |
| C2 | C1 | H3 | H1 | 120.0° | 120.0° |
| C10 | C9 | N2 | C8 | 0.3° | 0.0° |
| C10 | C9 | N2 | H8 | 180.0° | 180.0° |
| C9 | C10 | C11 | H10 | 178.6° | 180.0° |
| C12 | C8 | C2 | C3 | 14.8° | 44.7° |
| C12 | C8 | N2 | C2 | 176.2° | 179.7° |
| C12 | C8 | N2 | C9 | 1.2° | 0.3° |
| C12 | C8 | C2 | N3 | 107.3° | 164.7° |
| C8 | C12 | C11 | H10 | 177.1° | 179.7° |
| C3 | C2 | C8 | N2 | 169.0° | 135.0° |
| C3 | C2 | C8 | N3 | 122.1° | 120.0° |
| C2 | C3 | C4 | C5 | 178.0° | 180.0° |
| C3 | C2 | N3 | C30 | 137.8° | 114.8° |
| C3 | C2 | N3 | C13 | 55.2° | 65.6° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C3 | C2 | C1 | H1 | 60.0° | 60.0° |
| C2 | C3 | C4 | H4 | 2.0° | 0.0° |
| C4 | C3 | C2 | C8 | 149.5° | 75.9° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | N3 | 30.7° | 164.1° |
| C3 | C4 | C5 | H5 | 177.1° | 180.0° |
| N2 | C8 | C2 | N3 | 68.9° | 15.0° |
| C8 | N2 | C9 | H8 | 179.7° | 180.0° |
| N2 | C8 | C12 | H11 | 177.1° | 180.0° |
| C2 | C8 | N2 | C9 | 177.4° | 180.0° |
| C8 | C2 | N3 | C30 | 97.5° | 125.2° |
| C8 | C2 | N3 | C13 | 69.5° | 54.4° |
| C8 | C2 | C1 | H2 | 55.3° | 60.0° |
| C8 | C2 | C1 | H3 | 175.3° | 60.0° |
| C8 | C2 | C1 | H1 | 64.7° | 180.0° |
| C2 | C8 | C12 | H11 | 1.2° | 0.3° |
| N2 | C9 | C10 | H9 | 179.8° | 180.0° |
| C4 | C5 | C6 | H6 | 178.3° | 180.0° |
| C2 | N3 | C30 | C13 | 168.9° | 179.7° |
| C2 | N3 | C30 | C29 | 170.3° | 179.9° |
| C2 | N3 | C13 | C14 | 11.4° | 0.1° |
| C2 | N3 | C13 | C28 | 169.4° | 180.0° |
| N3 | C2 | C1 | H2 | 61.3° | 60.0° |
| N3 | C2 | C1 | H3 | 58.7° | 180.0° |
| N3 | C2 | C1 | H1 | 178.7° | 60.0° |
| C2 | N3 | C30 | H28 | 9.7° | 0.1° |
| N5 | C22 | C21 | H18 | 180.0° | 179.8° |
| C22 | N5 | C23 | H19 | 180.0° | 179.8° |
| N5 | C22 | C21 | C20 | 7.6° | 0.1° |
| C22 | N5 | C23 | O1 | 176.5° | 180.0° |
| C22 | N5 | C23 | C19 | 1.6° | 0.5° |
| N5 | C22 | C21 | H17 | 172.4° | 180.0° |
| C21 | C22 | N5 | C23 | 4.6° | 0.2° |
| C22 | C21 | C20 | H17 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 7.9° | 0.1° |
| C22 | C21 | C20 | C16 | 173.0° | 179.5° |
| C21 | C22 | N5 | H19 | 175.4° | 180.0° |
| N5 | C23 | O1 | C19 | 177.7° | 179.5° |
| N5 | C23 | C19 | C20 | 2.2° | 0.5° |
| N5 | C23 | C19 | N4 | 175.4° | 179.9° |
| C23 | N5 | C22 | H18 | 175.4° | 180.0° |
| C21 | C20 | C19 | C23 | 5.4° | 0.2° |
| C21 | C20 | C19 | C16 | 179.4° | 179.6° |
| C21 | C20 | C19 | N4 | 179.9° | 179.9° |
| C21 | C20 | C16 | C15 | 0.3° | 0.2° |
| C21 | C20 | C16 | C17 | 178.8° | 180.0° |
| C20 | C21 | C22 | H18 | 172.4° | 179.8° |
| N3 | C30 | C29 | H28 | 180.0° | 179.8° |
| C30 | N3 | C13 | C14 | 179.7° | 179.7° |
| C30 | N3 | C13 | C28 | 0.5° | 0.3° |
| N3 | C30 | C29 | C28 | 1.7° | 0.4° |
| N3 | C30 | C29 | H27 | 178.3° | 179.8° |
| C13 | N3 | C30 | C29 | 1.4° | 0.4° |
| N3 | C13 | C14 | C28 | 179.1° | 180.0° |
| N3 | C13 | C14 | C15 | 177.7° | 180.0° |
| N3 | C13 | C28 | C29 | 0.5° | 0.0° |
| N3 | C13 | C28 | C25 | 179.8° | 180.0° |
| N3 | C13 | C14 | H12 | 2.2° | 0.0° |
| C13 | N3 | C30 | H28 | 178.6° | 179.8° |
| O1 | C23 | C19 | C20 | 175.7° | 180.0° |
| O1 | C23 | C19 | N4 | 2.4° | 0.4° |
| O1 | C23 | N5 | H19 | 3.5° | 0.2° |
| C23 | C19 | C20 | N4 | 174.5° | 179.7° |
| C23 | C19 | C20 | C16 | 175.2° | 179.9° |
| C23 | C19 | N4 | C17 | 173.2° | 179.9° |
| C23 | C19 | N4 | C18 | 4.4° | 0.1° |
| C19 | C23 | N5 | H19 | 178.4° | 179.7° |
| C30 | C29 | C28 | C13 | 1.3° | 0.2° |
| C30 | C29 | C28 | H27 | 180.0° | 179.8° |
| C30 | C29 | C28 | C25 | 179.0° | 179.7° |
| C13 | C14 | C15 | H12 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 176.2° | 180.0° |
| C14 | C13 | C28 | C29 | 178.8° | 180.0° |
| C13 | C14 | C15 | C24 | 3.0° | 0.0° |
| C14 | C13 | C28 | C25 | 0.9° | 0.1° |
| C15 | C14 | C13 | C28 | 3.2° | 0.0° |
| C14 | C15 | C16 | C20 | 41.2° | 129.8° |
| C14 | C15 | C16 | C24 | 179.2° | 180.0° |
| C14 | C15 | C16 | C17 | 137.0° | 50.0° |
| C14 | C15 | C24 | C25 | 0.6° | 0.0° |
| C14 | C15 | C24 | H20 | 179.4° | 179.9° |
| C13 | C28 | C29 | C25 | 179.6° | 179.9° |
| C13 | C28 | C25 | C24 | 1.5° | 0.1° |
| C13 | C28 | C25 | N6 | 177.3° | 180.0° |
| C28 | C13 | C14 | H12 | 176.9° | 180.0° |
| C13 | C28 | C29 | H27 | 178.7° | 180.0° |
| C19 | C20 | C16 | C15 | 179.5° | 179.8° |
| C19 | C20 | C16 | C17 | 2.0° | 0.4° |
| C20 | C19 | N4 | C17 | 0.9° | 0.3° |
| C20 | C19 | N4 | C18 | 178.4° | 179.7° |
| C19 | C20 | C21 | H17 | 172.1° | 180.0° |
| C16 | C20 | C19 | N4 | 0.7° | 0.4° |
| C20 | C16 | C15 | C17 | 178.2° | 179.8° |
| C20 | C16 | C15 | C24 | 138.0° | 50.2° |
| C20 | C16 | C17 | N4 | 2.7° | 0.2° |
| C20 | C16 | C17 | H13 | 177.3° | 179.8° |
| C16 | C20 | C21 | H17 | 7.1° | 0.5° |
| C19 | N4 | C17 | C16 | 2.3° | 0.0° |
| C19 | N4 | C17 | C18 | 177.5° | 180.0° |
| C19 | N4 | C17 | H13 | 177.7° | 180.0° |
| C19 | N4 | C18 | H14 | 180.0° | 90.0° |
| C19 | N4 | C18 | H15 | 60.0° | 29.9° |
| C19 | N4 | C18 | H16 | 60.0° | 150.0° |
| C15 | C16 | C17 | N4 | 178.8° | 180.0° |
| C16 | C15 | C24 | C25 | 178.6° | 180.0° |
| C16 | C15 | C14 | H12 | 3.8° | 0.0° |
| C15 | C16 | C17 | H13 | 1.2° | 0.0° |
| C16 | C15 | C24 | H20 | 1.4° | 0.1° |
| C17 | C16 | C15 | C24 | 43.8° | 130.0° |
| C16 | C17 | N4 | H13 | 180.0° | 180.0° |
| C16 | C17 | N4 | C18 | 179.8° | 180.0° |
| C29 | C28 | C25 | C24 | 178.9° | 180.0° |
| C29 | C28 | C25 | N6 | 3.1° | 0.1° |
| C28 | C29 | C30 | H28 | 178.3° | 179.8° |
| C15 | C24 | C25 | C28 | 1.6° | 0.0° |
| C15 | C24 | C25 | H20 | 180.0° | 179.9° |
| C15 | C24 | C25 | N6 | 177.1° | 179.9° |
| C24 | C15 | C14 | H12 | 177.0° | 180.0° |
| C28 | C25 | C24 | N6 | 175.5° | 179.9° |
| C28 | C25 | N6 | S1 | 160.5° | 144.8° |
| C28 | C25 | C24 | H20 | 178.4° | 179.9° |
| C28 | C25 | N6 | H21 | 77.8° | 35.2° |
| C25 | C28 | C29 | H27 | 0.9° | 0.1° |
| C17 | N4 | C18 | H14 | 2.9° | 90.0° |
| C17 | N4 | C18 | H15 | 122.9° | 150.1° |
| C17 | N4 | C18 | H16 | 117.2° | 30.0° |
| C18 | N4 | C17 | H13 | 0.2° | 0.0° |
| N4 | C18 | H14 | H15 | 120.0° | 120.0° |
| N4 | C18 | H14 | H16 | 120.0° | 120.1° |
| N4 | C18 | H15 | H16 | 120.0° | 120.1° |
| C24 | C25 | N6 | S1 | 15.0° | 35.3° |
| C24 | C25 | N6 | H21 | 106.7° | 144.7° |
| C25 | N6 | S1 | H21 | 121.7° | 179.9° |
| C25 | N6 | S1 | O2 | 41.3° | 56.1° |
| C25 | N6 | S1 | C26 | 77.2° | 60.0° |
| C25 | N6 | S1 | O3 | 169.1° | 176.0° |
| N6 | C25 | C24 | H20 | 2.9° | 0.0° |
| N6 | S1 | O2 | C26 | 116.5° | 111.8° |
| N6 | S1 | O2 | O3 | 120.2° | 116.7° |
| N6 | S1 | C26 | O3 | 111.4° | 111.6° |
| N6 | S1 | C26 | C27 | 61.5° | 180.0° |
| N6 | S1 | C26 | H22 | 178.0° | 60.1° |
| N6 | S1 | C26 | H23 | 59.1° | 60.0° |
| O2 | S1 | C26 | O3 | 129.1° | 136.8° |
| O2 | S1 | C26 | C27 | 179.0° | 68.4° |
| O2 | S1 | N6 | H21 | 163.0° | 123.9° |
| O2 | S1 | C26 | H22 | 58.5° | 51.6° |
| O2 | S1 | C26 | H23 | 60.4° | 171.6° |
| S1 | C26 | C27 | H22 | 120.6° | 119.9° |
| S1 | C26 | C27 | H23 | 120.6° | 120.0° |
| C26 | S1 | N6 | H21 | 44.5° | 119.9° |
| S1 | C26 | H22 | H23 | 118.2° | 120.0° |
| S1 | C26 | C27 | H26 | 180.0° | 180.0° |
| S1 | C26 | C27 | H24 | 60.0° | 60.0° |
| S1 | C26 | C27 | H25 | 60.0° | 60.0° |
| O3 | S1 | C26 | C27 | 49.9° | 68.4° |
| O3 | S1 | N6 | H21 | 69.1° | 3.9° |
| O3 | S1 | C26 | H22 | 70.6° | 171.6° |
| O3 | S1 | C26 | H23 | 170.5° | 51.6° |
| C27 | C26 | H22 | H23 | 118.2° | 120.0° |
| C26 | C27 | H26 | H24 | 120.0° | 119.9° |
| C26 | C27 | H26 | H25 | 120.0° | 120.0° |
| C26 | C27 | H24 | H25 | 120.0° | 120.0° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H4 | C4 | C5 | H5 | 2.9° | 0.0° |
| H5 | C5 | C6 | H6 | 1.7° | 0.0° |
| H6 | C6 | C7 | H7 | 6.9° | 0.2° |
| H8 | C9 | C10 | H9 | 0.2° | 0.0° |
| H9 | C10 | C11 | H10 | 1.5° | 0.1° |
| H10 | C11 | C12 | H11 | 2.9° | 0.2° |
| H14 | C18 | H15 | H16 | 120.0° | 119.9° |
| H17 | C21 | C22 | H18 | 7.6° | 0.2° |
| H18 | C22 | N5 | H19 | 4.6° | 0.2° |
| H22 | C26 | C27 | H26 | 59.4° | 60.1° |
| H22 | C26 | C27 | H24 | 179.4° | 180.0° |
| H22 | C26 | C27 | H25 | 60.5° | 60.0° |
| H23 | C26 | C27 | H26 | 59.4° | 60.0° |
| H23 | C26 | C27 | H24 | 60.6° | 60.0° |
| H23 | C26 | C27 | H25 | 179.4° | 180.0° |
| H26 | C27 | H24 | H25 | 120.0° | 120.1° |
| H27 | C29 | C30 | H28 | 1.7° | 0.0° |
