YF6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C15 | sing | 1.47Å | 1.48Å | |
| N3 | C14 | sing | 1.47Å | 1.46Å | |
| C31 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.36Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C30 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.36Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.37Å | Aromatic |
| C29 | C24 | sing | 1.38Å | 1.34Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.56Å | |
| C25 | C22 | sing | 1.51Å | 1.56Å | |
| C25 | N7 | doub | 1.32Å | 1.34Å | Aromatic |
| C24 | C22 | sing | 1.51Å | 1.53Å | |
| C24 | N6 | doub | 1.32Å | 1.34Å | Aromatic |
| C33 | N7 | sing | 1.32Å | 1.36Å | Aromatic |
| C12 | N2 | sing | 1.46Å | 1.45Å | |
| C26 | N6 | sing | 1.32Å | 1.35Å | Aromatic |
| C22 | N4 | sing | 1.47Å | 1.46Å | |
| N2 | C9 | sing | 1.40Å | 1.39Å | |
| N4 | C19 | sing | 1.37Å | 1.39Å | Aromatic |
| N4 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.36Å | 1.39Å | |
| C9 | C10 | sing | 1.41Å | 1.43Å | |
| C8 | C7 | sing | 1.41Å | 1.42Å | |
| C19 | C18 | doub | 1.34Å | 1.35Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.41Å | 1.40Å | Aromatic |
| O1 | C10 | doub | 1.22Å | 1.25Å | |
| C10 | N1 | sing | 1.35Å | 1.40Å | |
| C7 | C6 | sing | 1.48Å | 1.49Å | |
| C7 | C11 | doub | 1.36Å | 1.35Å | |
| C6 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C3 | sing | 1.46Å | 1.44Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
| N1 | C11 | sing | 1.36Å | 1.39Å | |
| N1 | C17 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | N5 | sing | 1.40Å | 1.40Å | |
| N5 | S1 | sing | 1.66Å | 1.61Å | |
| O2 | S1 | doub | 1.42Å | 1.45Å | |
| S1 | C20 | sing | 1.81Å | 1.76Å | |
| S1 | O3 | doub | 1.42Å | 1.43Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| N3 | H11 | sing | 1.01Å | 1.00Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| N5 | H22 | sing | 0.97Å | 1.00Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.08Å | 1.08Å | |
| C27 | H32 | sing | 1.08Å | 1.08Å | |
| C28 | H33 | sing | 1.08Å | 1.08Å | |
| C29 | H34 | sing | 1.08Å | 1.08Å | |
| C30 | H35 | sing | 1.08Å | 1.08Å | |
| C31 | H36 | sing | 1.08Å | 1.08Å | |
| C32 | H37 | sing | 1.08Å | 1.08Å | |
| C33 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | N3 | C14 | 111.1° | 111.2° |
| N3 | C15 | C16 | 109.6° | 109.6° |
| C15 | N3 | H11 | 109.1° | 111.0° |
| N3 | C15 | H13 | 109.4° | 109.5° |
| N3 | C15 | H14 | 109.4° | 109.5° |
| N3 | C14 | C13 | 111.5° | 109.6° |
| N3 | C14 | H9 | 108.9° | 109.5° |
| N3 | C14 | H10 | 108.9° | 109.5° |
| C14 | N3 | H11 | 109.0° | 111.1° |
| C30 | C31 | C32 | 120.2° | 118.4° |
| C31 | C30 | C25 | 120.0° | 119.2° |
| C31 | C30 | H35 | 120.0° | 120.4° |
| C30 | C31 | H36 | 119.9° | 120.8° |
| C31 | C32 | C33 | 117.9° | 119.1° |
| C32 | C31 | H36 | 119.9° | 120.8° |
| C31 | C32 | H37 | 121.1° | 120.4° |
| C15 | C16 | C12 | 111.7° | 109.3° |
| C16 | C15 | H13 | 109.4° | 109.5° |
| C16 | C15 | H14 | 109.4° | 109.4° |
| C15 | C16 | H15 | 108.9° | 109.5° |
| C15 | C16 | H16 | 108.9° | 109.5° |
| C14 | C13 | C12 | 111.3° | 109.3° |
| C14 | C13 | H7 | 109.0° | 109.5° |
| C14 | C13 | H8 | 109.0° | 109.6° |
| C13 | C14 | H9 | 109.0° | 109.5° |
| C13 | C14 | H10 | 109.0° | 109.4° |
| C30 | C25 | C22 | 120.8° | 119.6° |
| C30 | C25 | N7 | 118.8° | 120.8° |
| C25 | C30 | H35 | 120.0° | 120.4° |
| C29 | C28 | C27 | 121.5° | 118.5° |
| C28 | C29 | C24 | 118.2° | 119.1° |
| C29 | C28 | H33 | 119.2° | 120.7° |
| C28 | C29 | H34 | 120.9° | 120.5° |
| C28 | C27 | C26 | 117.5° | 119.1° |
| C28 | C27 | H32 | 121.2° | 120.4° |
| C27 | C28 | H33 | 119.2° | 120.8° |
| C32 | C33 | N7 | 122.6° | 120.8° |
| C33 | C32 | H37 | 121.1° | 120.5° |
| C32 | C33 | H38 | 118.7° | 119.6° |
| C29 | C24 | C22 | 116.3° | 119.6° |
| C29 | C24 | N6 | 122.7° | 120.8° |
| C24 | C29 | H34 | 120.9° | 120.4° |
| C27 | C26 | N6 | 120.7° | 120.8° |
| C27 | C26 | H31 | 119.7° | 119.7° |
| C26 | C27 | H32 | 121.2° | 120.4° |
| C16 | C12 | C13 | 110.9° | 109.2° |
| C16 | C12 | N2 | 115.3° | 109.5° |
| C16 | C12 | H6 | 105.6° | 109.5° |
| C12 | C16 | H15 | 108.9° | 109.6° |
| C12 | C16 | H16 | 108.9° | 109.5° |
| C13 | C12 | N2 | 112.2° | 109.5° |
| C13 | C12 | H6 | 105.6° | 109.5° |
| C12 | C13 | H7 | 109.0° | 109.5° |
| C12 | C13 | H8 | 109.0° | 109.5° |
| C23 | C22 | C25 | 111.8° | 109.5° |
| C23 | C22 | C24 | 105.8° | 109.5° |
| C23 | C22 | N4 | 108.4° | 109.5° |
| C22 | C23 | H28 | 109.5° | 109.5° |
| C22 | C23 | H29 | 109.5° | 109.4° |
| C22 | C23 | H30 | 109.5° | 109.5° |
| C22 | C25 | N7 | 119.8° | 119.6° |
| C25 | C22 | C24 | 106.0° | 109.5° |
| C25 | C22 | N4 | 112.4° | 109.5° |
| C25 | N7 | C33 | 119.9° | 121.7° |
| C22 | C24 | N6 | 120.8° | 119.7° |
| C24 | C22 | N4 | 112.3° | 109.4° |
| C24 | N6 | C26 | 119.2° | 121.7° |
| N7 | C33 | H38 | 118.7° | 119.6° |
| C12 | N2 | C9 | 122.1° | 120.0° |
| C12 | N2 | H5 | 106.2° | 120.1° |
| N2 | C12 | H6 | 106.5° | 109.5° |
| N6 | C26 | H31 | 119.6° | 119.6° |
| C22 | N4 | C19 | 125.4° | 125.1° |
| C22 | N4 | C4 | 125.6° | 125.1° |
| N2 | C9 | C8 | 122.1° | 120.4° |
| N2 | C9 | C10 | 117.4° | 120.3° |
| C9 | N2 | H5 | 106.2° | 120.0° |
| C19 | N4 | C4 | 108.3° | 109.8° |
| N4 | C19 | C18 | 110.6° | 109.9° |
| N4 | C19 | H21 | 124.7° | 125.1° |
| N4 | C4 | C5 | 130.6° | 133.2° |
| N4 | C4 | C3 | 106.5° | 107.2° |
| C8 | C9 | C10 | 120.4° | 119.3° |
| C9 | C8 | C7 | 121.0° | 119.2° |
| C9 | C8 | H3 | 119.5° | 120.4° |
| C9 | C10 | O1 | 124.5° | 119.9° |
| C9 | C10 | N1 | 115.7° | 120.2° |
| C8 | C7 | C6 | 117.6° | 120.1° |
| C8 | C7 | C11 | 119.1° | 119.8° |
| C7 | C8 | H3 | 119.5° | 120.4° |
| C19 | C18 | C3 | 106.5° | 107.1° |
| C19 | C18 | H20 | 126.7° | 126.5° |
| C18 | C19 | H21 | 124.7° | 125.0° |
| C4 | C5 | C6 | 117.6° | 120.0° |
| C5 | C4 | C3 | 122.8° | 119.6° |
| C4 | C5 | H2 | 121.2° | 120.0° |
| C5 | C6 | C7 | 117.8° | 119.8° |
| C5 | C6 | C1 | 120.8° | 120.4° |
| C6 | C5 | H2 | 121.2° | 120.0° |
| C4 | C3 | C18 | 108.0° | 106.1° |
| C4 | C3 | C2 | 119.0° | 120.1° |
| O1 | C10 | N1 | 119.8° | 119.9° |
| C10 | N1 | C11 | 123.6° | 120.9° |
| C10 | N1 | C17 | 118.8° | 119.6° |
| C6 | C7 | C11 | 123.2° | 120.1° |
| C7 | C6 | C1 | 121.1° | 119.7° |
| C7 | C11 | N1 | 120.2° | 120.7° |
| C7 | C11 | H4 | 119.9° | 119.6° |
| C6 | C1 | C2 | 121.5° | 120.2° |
| C6 | C1 | H1 | 119.3° | 119.9° |
| C18 | C3 | C2 | 133.0° | 133.8° |
| C3 | C18 | H20 | 126.7° | 126.4° |
| C3 | C2 | C1 | 118.2° | 119.7° |
| C3 | C2 | N5 | 117.5° | 120.2° |
| C11 | N1 | C17 | 117.7° | 119.6° |
| N1 | C11 | H4 | 119.9° | 119.7° |
| N1 | C17 | H17 | 109.5° | 109.5° |
| N1 | C17 | H18 | 109.4° | 109.4° |
| N1 | C17 | H19 | 109.5° | 109.4° |
| C1 | C2 | N5 | 124.3° | 120.1° |
| C2 | C1 | H1 | 119.2° | 119.9° |
| C2 | N5 | S1 | 126.5° | 120.0° |
| C2 | N5 | H22 | 105.1° | 120.0° |
| N5 | S1 | O2 | 111.0° | 104.3° |
| N5 | S1 | C20 | 107.6° | 104.5° |
| N5 | S1 | O3 | 105.7° | 104.3° |
| S1 | N5 | H22 | 105.1° | 120.0° |
| O2 | S1 | C20 | 106.7° | 110.6° |
| O2 | S1 | O3 | 116.6° | 121.0° |
| C20 | S1 | O3 | 108.8° | 110.5° |
| S1 | C20 | C21 | 111.3° | 109.5° |
| S1 | C20 | H23 | 109.0° | 109.4° |
| S1 | C20 | H24 | 109.0° | 109.4° |
| C21 | C20 | H23 | 109.0° | 109.5° |
| C21 | C20 | H24 | 109.0° | 109.5° |
| C20 | C21 | H25 | 109.5° | 109.5° |
| C20 | C21 | H26 | 109.4° | 109.5° |
| C20 | C21 | H27 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.4° |
| H9 | C14 | H10 | 109.5° | 109.4° |
| H13 | C15 | H14 | 109.5° | 109.4° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H17 | C17 | H19 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.5° |
| H23 | C20 | H24 | 109.5° | 109.5° |
| H25 | C21 | H26 | 109.5° | 109.4° |
| H25 | C21 | H27 | 109.5° | 109.5° |
| H26 | C21 | H27 | 109.5° | 109.5° |
| H28 | C23 | H29 | 109.5° | 109.5° |
| H28 | C23 | H30 | 109.5° | 109.5° |
| H29 | C23 | H30 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | N3 | C14 | H11 | 120.3° | 124.1° |
| N3 | C15 | C16 | H13 | 120.1° | 120.1° |
| N3 | C15 | C16 | H14 | 120.0° | 120.0° |
| C15 | N3 | C14 | C13 | 60.9° | 61.7° |
| N3 | C15 | C16 | C12 | 55.5° | 59.1° |
| C15 | N3 | C14 | H9 | 59.4° | 178.2° |
| C15 | N3 | C14 | H10 | 178.8° | 58.3° |
| N3 | C15 | H13 | H14 | 119.9° | 120.0° |
| N3 | C15 | C16 | H15 | 64.8° | 179.1° |
| N3 | C15 | C16 | H16 | 175.9° | 60.8° |
| C14 | N3 | C15 | C16 | 60.1° | 61.7° |
| N3 | C14 | C13 | H9 | 120.3° | 120.1° |
| N3 | C14 | C13 | H10 | 120.3° | 120.0° |
| N3 | C14 | C13 | C12 | 56.0° | 59.1° |
| N3 | C14 | C13 | H7 | 176.2° | 60.8° |
| N3 | C14 | C13 | H8 | 64.3° | 179.2° |
| N3 | C14 | H9 | H10 | 119.0° | 119.9° |
| C14 | N3 | C15 | H13 | 179.8° | 178.2° |
| C14 | N3 | C15 | H14 | 59.9° | 58.3° |
| C30 | C31 | C32 | H36 | 180.0° | 180.0° |
| C31 | C30 | C25 | H35 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 1.6° | 0.0° |
| C31 | C30 | C25 | C22 | 179.9° | 180.0° |
| C31 | C30 | C25 | N7 | 8.6° | 0.3° |
| C30 | C31 | C32 | H37 | 178.4° | 180.0° |
| C32 | C31 | C30 | C25 | 3.0° | 0.0° |
| C31 | C32 | C33 | H37 | 180.0° | 180.0° |
| C31 | C32 | C33 | N7 | 0.7° | 0.3° |
| C32 | C31 | C30 | H35 | 177.0° | 180.0° |
| C31 | C32 | C33 | H38 | 179.3° | 180.0° |
| C15 | C16 | C12 | H15 | 120.3° | 120.0° |
| C15 | C16 | C12 | H16 | 120.3° | 119.9° |
| C15 | C16 | C12 | C13 | 51.5° | 57.6° |
| C15 | C16 | C12 | N2 | 179.7° | 177.5° |
| C15 | C16 | C12 | H6 | 62.4° | 62.4° |
| C16 | C15 | N3 | H11 | 179.6° | 174.1° |
| C16 | C15 | H13 | H14 | 119.9° | 119.9° |
| C15 | C16 | H15 | H16 | 119.0° | 120.1° |
| C14 | C13 | C12 | C16 | 50.9° | 57.6° |
| C14 | C13 | C12 | H7 | 120.3° | 119.9° |
| C14 | C13 | C12 | H8 | 120.2° | 120.1° |
| C14 | C13 | C12 | N2 | 178.6° | 177.6° |
| C14 | C13 | C12 | H6 | 63.0° | 62.4° |
| C14 | C13 | H7 | H8 | 119.2° | 120.1° |
| C13 | C14 | H9 | H10 | 119.1° | 119.9° |
| C13 | C14 | N3 | H11 | 178.8° | 174.2° |
| C30 | C25 | C22 | C23 | 49.2° | 45.3° |
| C30 | C25 | C22 | N7 | 171.5° | 179.7° |
| C30 | C25 | C22 | C24 | 65.6° | 74.8° |
| C30 | C25 | N7 | C33 | 9.5° | 0.6° |
| C30 | C25 | C22 | N4 | 171.4° | 165.2° |
| C25 | C30 | C31 | H36 | 177.1° | 180.0° |
| C29 | C28 | C27 | H33 | 180.0° | 179.4° |
| C28 | C29 | C24 | H34 | 180.0° | 179.4° |
| C29 | C28 | C27 | C26 | 3.0° | 0.3° |
| C28 | C29 | C24 | C22 | 178.3° | 179.7° |
| C28 | C29 | C24 | N6 | 3.4° | 0.6° |
| C29 | C28 | C27 | H32 | 177.0° | 179.7° |
| C27 | C28 | C29 | C24 | 0.2° | 0.6° |
| C28 | C27 | C26 | H32 | 180.0° | 180.0° |
| C28 | C27 | C26 | N6 | 2.3° | 0.0° |
| C28 | C27 | C26 | H31 | 177.7° | 180.0° |
| C27 | C28 | C29 | H34 | 179.8° | 180.0° |
| C32 | C33 | N7 | C25 | 5.0° | 0.6° |
| C32 | C33 | N7 | H38 | 180.0° | 179.8° |
| C33 | C32 | C31 | H36 | 178.3° | 180.0° |
| C29 | C24 | C22 | C23 | 101.3° | 74.3° |
| C29 | C24 | C22 | C25 | 17.6° | 45.7° |
| C29 | C24 | C22 | N6 | 175.0° | 179.8° |
| C29 | C24 | N6 | C26 | 4.1° | 0.2° |
| C29 | C24 | C22 | N4 | 140.7° | 165.7° |
| C24 | C29 | C28 | H33 | 179.8° | 180.0° |
| C27 | C26 | N6 | C24 | 1.1° | 0.0° |
| C27 | C26 | N6 | H31 | 180.0° | 180.0° |
| C26 | C27 | C28 | H33 | 177.0° | 179.7° |
| C16 | C12 | C13 | N2 | 130.5° | 120.0° |
| C16 | C12 | C13 | H6 | 113.9° | 120.0° |
| C16 | C12 | N2 | H6 | 116.7° | 120.2° |
| C16 | C12 | N2 | C9 | 62.2° | 86.9° |
| C16 | C12 | N2 | H5 | 176.1° | 93.0° |
| C16 | C12 | C13 | H7 | 171.2° | 62.3° |
| C16 | C12 | C13 | H8 | 69.3° | 177.7° |
| C12 | C16 | C15 | H13 | 175.6° | 179.2° |
| C12 | C16 | C15 | H14 | 64.5° | 60.9° |
| C12 | C16 | H15 | H16 | 119.0° | 120.1° |
| C13 | C12 | N2 | H6 | 115.1° | 120.1° |
| C13 | C12 | N2 | C9 | 169.6° | 153.4° |
| C13 | C12 | N2 | H5 | 47.9° | 26.7° |
| C12 | C13 | H7 | H8 | 119.2° | 120.1° |
| C12 | C13 | C14 | H9 | 64.3° | 179.2° |
| C12 | C13 | C14 | H10 | 176.2° | 60.9° |
| C13 | C12 | C16 | H15 | 68.9° | 177.5° |
| C13 | C12 | C16 | H16 | 171.8° | 62.4° |
| C23 | C22 | C25 | C24 | 114.8° | 120.1° |
| C23 | C22 | C25 | N4 | 122.2° | 120.0° |
| C23 | C22 | C25 | N7 | 139.3° | 135.0° |
| C23 | C22 | C24 | N4 | 118.0° | 120.0° |
| C23 | C22 | C24 | N6 | 73.7° | 105.9° |
| C23 | C22 | N4 | C19 | 27.2° | 3.9° |
| C23 | C22 | N4 | C4 | 163.6° | 176.1° |
| C22 | C23 | H28 | H29 | 120.0° | 120.0° |
| C22 | C23 | H28 | H30 | 120.0° | 120.1° |
| C22 | C23 | H29 | H30 | 120.0° | 120.0° |
| C25 | C22 | C24 | N4 | 123.1° | 120.0° |
| C25 | C22 | C24 | N6 | 167.4° | 134.1° |
| C22 | C25 | N7 | C33 | 178.9° | 179.7° |
| C25 | C22 | N4 | C19 | 96.9° | 116.1° |
| C25 | C22 | N4 | C4 | 72.2° | 63.9° |
| C25 | C22 | C23 | H28 | 180.0° | 180.0° |
| C25 | C22 | C23 | H29 | 60.0° | 60.0° |
| C25 | C22 | C23 | H30 | 60.0° | 59.9° |
| C22 | C25 | C30 | H35 | 0.1° | 0.0° |
| N7 | C25 | C22 | C24 | 105.9° | 104.9° |
| N7 | C25 | C22 | N4 | 17.1° | 15.0° |
| N7 | C25 | C30 | H35 | 171.4° | 179.7° |
| C25 | N7 | C33 | H38 | 175.0° | 179.7° |
| C22 | C24 | N6 | C26 | 178.7° | 180.0° |
| C24 | C22 | N4 | C19 | 143.7° | 123.9° |
| C24 | C22 | N4 | C4 | 47.1° | 56.1° |
| C24 | C22 | C23 | H28 | 65.1° | 60.0° |
| C24 | C22 | C23 | H29 | 54.9° | 60.1° |
| C24 | C22 | C23 | H30 | 174.9° | 180.0° |
| C22 | C24 | C29 | H34 | 1.7° | 0.3° |
| N6 | C24 | C22 | N4 | 44.4° | 14.1° |
| C24 | N6 | C26 | H31 | 178.9° | 180.0° |
| N6 | C24 | C29 | H34 | 176.6° | 180.0° |
| N7 | C33 | C32 | H37 | 179.3° | 179.7° |
| C12 | N2 | C9 | H5 | 121.7° | 179.9° |
| C12 | N2 | C9 | C8 | 22.9° | 4.4° |
| C12 | N2 | C9 | C10 | 160.0° | 175.7° |
| N2 | C12 | C13 | H7 | 58.3° | 57.6° |
| N2 | C12 | C13 | H8 | 61.2° | 62.4° |
| N2 | C12 | C16 | H15 | 60.0° | 62.5° |
| N2 | C12 | C16 | H16 | 59.4° | 57.5° |
| N6 | C26 | C27 | H32 | 177.7° | 179.9° |
| C22 | N4 | C19 | C4 | 170.7° | 180.0° |
| C22 | N4 | C19 | C18 | 170.5° | 180.0° |
| C22 | N4 | C4 | C5 | 5.6° | 0.1° |
| C22 | N4 | C4 | C3 | 171.4° | 180.0° |
| C22 | N4 | C19 | H21 | 9.5° | 0.0° |
| N4 | C22 | C23 | H28 | 55.5° | 60.0° |
| N4 | C22 | C23 | H29 | 175.5° | 179.9° |
| N4 | C22 | C23 | H30 | 64.5° | 60.0° |
| N2 | C9 | C8 | C10 | 177.0° | 180.0° |
| N2 | C9 | C8 | C7 | 178.4° | 179.9° |
| N2 | C9 | C10 | O1 | 5.6° | 0.0° |
| N2 | C9 | C10 | N1 | 178.2° | 179.9° |
| N2 | C9 | C8 | H3 | 1.6° | 0.1° |
| C9 | N2 | C12 | H6 | 54.5° | 33.3° |
| N4 | C19 | C18 | H21 | 180.0° | 179.9° |
| C19 | N4 | C4 | C5 | 176.3° | 180.0° |
| C19 | N4 | C4 | C3 | 0.7° | 0.0° |
| N4 | C19 | C18 | C3 | 1.1° | 0.0° |
| N4 | C19 | C18 | H20 | 178.9° | 180.0° |
| C4 | N4 | C19 | C18 | 0.3° | 0.0° |
| N4 | C4 | C5 | C3 | 176.6° | 180.0° |
| N4 | C4 | C5 | C6 | 177.9° | 179.7° |
| N4 | C4 | C3 | C18 | 1.3° | 0.0° |
| N4 | C4 | C3 | C2 | 179.4° | 180.0° |
| N4 | C4 | C5 | H2 | 2.0° | 0.1° |
| C4 | N4 | C19 | H21 | 179.7° | 180.0° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C8 | C9 | C10 | O1 | 177.3° | 180.0° |
| C8 | C9 | C10 | N1 | 1.1° | 0.0° |
| C9 | C8 | C7 | C6 | 179.8° | 180.0° |
| C9 | C8 | C7 | C11 | 2.9° | 0.3° |
| C8 | C9 | N2 | H5 | 98.8° | 175.7° |
| C10 | C9 | C8 | C7 | 1.4° | 0.0° |
| C9 | C10 | O1 | N1 | 176.1° | 179.9° |
| C9 | C10 | N1 | C11 | 2.4° | 0.4° |
| C9 | C10 | N1 | C17 | 177.9° | 180.0° |
| C10 | C9 | C8 | H3 | 178.6° | 180.0° |
| C10 | C9 | N2 | H5 | 78.3° | 4.2° |
| C8 | C7 | C6 | C5 | 43.5° | 114.7° |
| C8 | C7 | C6 | C11 | 176.8° | 179.6° |
| C8 | C7 | C6 | C1 | 129.5° | 64.9° |
| C8 | C7 | C11 | N1 | 4.1° | 0.7° |
| C8 | C7 | C11 | H4 | 175.9° | 179.7° |
| C19 | C18 | C3 | C4 | 1.5° | 0.0° |
| C19 | C18 | C3 | H20 | 180.0° | 180.0° |
| C19 | C18 | C3 | C2 | 179.2° | 180.0° |
| C4 | C5 | C6 | H2 | 180.0° | 179.7° |
| C4 | C5 | C6 | C7 | 172.2° | 179.9° |
| C4 | C5 | C6 | C1 | 0.9° | 0.5° |
| C5 | C4 | C3 | C18 | 176.0° | 180.0° |
| C5 | C4 | C3 | C2 | 2.1° | 0.0° |
| C6 | C5 | C4 | C3 | 1.3° | 0.3° |
| C5 | C6 | C7 | C1 | 173.1° | 179.6° |
| C5 | C6 | C7 | C11 | 139.7° | 64.9° |
| C5 | C6 | C1 | C2 | 2.5° | 0.5° |
| C5 | C6 | C1 | H1 | 177.5° | 179.8° |
| C4 | C3 | C18 | C2 | 177.6° | 179.9° |
| C4 | C3 | C2 | C1 | 0.5° | 0.0° |
| C4 | C3 | C2 | N5 | 179.9° | 180.0° |
| C3 | C4 | C5 | H2 | 178.6° | 179.9° |
| C4 | C3 | C18 | H20 | 178.5° | 180.0° |
| O1 | C10 | N1 | C11 | 178.8° | 179.7° |
| O1 | C10 | N1 | C17 | 1.4° | 0.1° |
| C10 | N1 | C11 | C7 | 4.0° | 0.7° |
| C10 | N1 | C11 | C17 | 179.8° | 179.6° |
| C10 | N1 | C11 | H4 | 176.0° | 179.7° |
| C10 | N1 | C17 | H17 | 180.0° | 0.0° |
| C10 | N1 | C17 | H18 | 60.0° | 120.0° |
| C10 | N1 | C17 | H19 | 60.0° | 120.1° |
| C6 | C7 | C11 | N1 | 179.1° | 179.7° |
| C7 | C6 | C1 | C2 | 170.4° | 179.9° |
| C7 | C6 | C1 | H1 | 9.6° | 0.2° |
| C7 | C6 | C5 | H2 | 7.8° | 0.2° |
| C6 | C7 | C8 | H3 | 0.2° | 0.1° |
| C6 | C7 | C11 | H4 | 0.9° | 0.1° |
| C11 | C7 | C6 | C1 | 47.2° | 115.5° |
| C7 | C11 | N1 | H4 | 180.0° | 179.6° |
| C7 | C11 | N1 | C17 | 176.2° | 179.7° |
| C11 | C7 | C8 | H3 | 177.1° | 179.7° |
| C6 | C1 | C2 | C3 | 1.7° | 0.2° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C6 | C1 | C2 | N5 | 177.8° | 179.8° |
| C1 | C6 | C5 | H2 | 179.1° | 179.8° |
| C18 | C3 | C2 | C1 | 176.9° | 180.0° |
| C18 | C3 | C2 | N5 | 2.7° | 0.0° |
| C3 | C18 | C19 | H21 | 178.9° | 179.9° |
| C3 | C2 | C1 | N5 | 179.5° | 180.0° |
| C3 | C2 | N5 | S1 | 159.9° | 145.2° |
| C3 | C2 | C1 | H1 | 178.3° | 179.9° |
| C2 | C3 | C18 | H20 | 0.9° | 0.0° |
| C3 | C2 | N5 | H22 | 77.8° | 34.8° |
| C11 | N1 | C17 | H17 | 0.2° | 179.7° |
| C11 | N1 | C17 | H18 | 119.8° | 59.7° |
| C11 | N1 | C17 | H19 | 120.2° | 60.3° |
| C17 | N1 | C11 | H4 | 3.8° | 0.1° |
| N1 | C17 | H17 | H18 | 120.0° | 120.0° |
| N1 | C17 | H17 | H19 | 120.0° | 120.0° |
| N1 | C17 | H18 | H19 | 120.0° | 119.9° |
| C1 | C2 | N5 | S1 | 19.6° | 34.8° |
| C1 | C2 | N5 | H22 | 102.6° | 145.2° |
| C2 | N5 | S1 | H22 | 122.3° | 180.0° |
| C2 | N5 | S1 | O2 | 35.7° | 176.2° |
| C2 | N5 | S1 | C20 | 80.8° | 60.1° |
| C2 | N5 | S1 | O3 | 163.1° | 55.9° |
| N5 | C2 | C1 | H1 | 2.2° | 0.0° |
| N5 | S1 | O2 | C20 | 117.0° | 111.8° |
| N5 | S1 | O2 | O3 | 121.2° | 116.8° |
| N5 | S1 | C20 | O3 | 114.1° | 111.6° |
| N5 | S1 | C20 | C21 | 61.5° | 180.0° |
| N5 | S1 | C20 | H23 | 178.2° | 60.0° |
| N5 | S1 | C20 | H24 | 58.7° | 60.0° |
| O2 | S1 | C20 | O3 | 126.7° | 136.7° |
| O2 | S1 | C20 | C21 | 179.3° | 68.4° |
| O2 | S1 | N5 | H22 | 157.9° | 3.8° |
| O2 | S1 | C20 | H23 | 59.0° | 171.6° |
| O2 | S1 | C20 | H24 | 60.5° | 51.7° |
| S1 | C20 | C21 | H23 | 120.3° | 120.0° |
| S1 | C20 | C21 | H24 | 120.2° | 120.0° |
| C20 | S1 | N5 | H22 | 41.5° | 119.9° |
| S1 | C20 | H23 | H24 | 119.2° | 119.9° |
| S1 | C20 | C21 | H25 | 180.0° | 59.9° |
| S1 | C20 | C21 | H26 | 60.0° | 60.0° |
| S1 | C20 | C21 | H27 | 60.0° | 179.9° |
| O3 | S1 | C20 | C21 | 52.6° | 68.3° |
| O3 | S1 | N5 | H22 | 74.6° | 124.0° |
| O3 | S1 | C20 | H23 | 67.7° | 51.7° |
| O3 | S1 | C20 | H24 | 172.8° | 171.6° |
| C21 | C20 | H23 | H24 | 119.2° | 120.1° |
| C20 | C21 | H25 | H26 | 120.0° | 119.9° |
| C20 | C21 | H25 | H27 | 120.0° | 120.0° |
| C20 | C21 | H26 | H27 | 120.0° | 120.1° |
| H5 | N2 | C12 | H6 | 67.2° | 146.8° |
| H6 | C12 | C13 | H7 | 57.3° | 177.7° |
| H6 | C12 | C13 | H8 | 176.8° | 57.7° |
| H6 | C12 | C16 | H15 | 177.2° | 57.6° |
| H6 | C12 | C16 | H16 | 57.9° | 177.7° |
| H7 | C13 | C14 | H9 | 56.0° | 59.3° |
| H7 | C13 | C14 | H10 | 63.5° | 179.2° |
| H8 | C13 | C14 | H9 | 175.4° | 60.8° |
| H8 | C13 | C14 | H10 | 56.0° | 59.2° |
| H9 | C14 | N3 | H11 | 60.9° | 54.1° |
| H10 | C14 | N3 | H11 | 58.5° | 65.8° |
| H11 | N3 | C15 | H13 | 59.6° | 54.1° |
| H11 | N3 | C15 | H14 | 60.4° | 65.9° |
| H13 | C15 | C16 | H15 | 55.3° | 60.8° |
| H13 | C15 | C16 | H16 | 64.0° | 59.3° |
| H14 | C15 | C16 | H15 | 175.2° | 59.1° |
| H14 | C15 | C16 | H16 | 55.9° | 179.2° |
| H17 | C17 | H18 | H19 | 120.0° | 120.1° |
| H20 | C18 | C19 | H21 | 1.1° | 0.1° |
| H23 | C20 | C21 | H25 | 59.8° | 179.9° |
| H23 | C20 | C21 | H26 | 179.7° | 60.0° |
| H23 | C20 | C21 | H27 | 60.3° | 60.1° |
| H24 | C20 | C21 | H25 | 59.7° | 60.1° |
| H24 | C20 | C21 | H26 | 60.2° | 180.0° |
| H24 | C20 | C21 | H27 | 179.8° | 60.0° |
| H25 | C21 | H26 | H27 | 120.0° | 120.0° |
| H28 | C23 | H29 | H30 | 120.0° | 120.0° |
| H31 | C26 | C27 | H32 | 2.3° | 0.0° |
| H32 | C27 | C28 | H33 | 3.0° | 0.4° |
| H33 | C28 | C29 | H34 | 0.2° | 0.6° |
| H35 | C30 | C31 | H36 | 2.9° | 0.0° |
| H36 | C31 | C32 | H37 | 1.6° | 0.0° |
| H37 | C32 | C33 | H38 | 0.7° | 0.1° |
