F5Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | N3 | sing | 1.47Å | 1.51Å | |
| C24 | N3 | sing | 1.47Å | 1.48Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C21 | C25 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| N3 | C23 | sing | 1.47Å | 1.46Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.49Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.50Å | |
| C17 | C14 | sing | 1.51Å | 1.58Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C11 | doub | 1.38Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | S | sing | 1.76Å | 1.64Å | |
| O1 | S | doub | 1.42Å | 1.49Å | |
| S | O2 | doub | 1.42Å | 1.47Å | |
| S | N2 | sing | 1.66Å | 1.69Å | |
| N2 | C5 | sing | 1.40Å | 1.45Å | |
| C27 | C28 | doub | 1.37Å | 1.35Å | Aromatic |
| C27 | C4 | sing | 1.41Å | 1.43Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.42Å | 1.43Å | Aromatic |
| C7 | N1 | sing | 1.47Å | 1.50Å | |
| C7 | C8 | sing | 1.54Å | 1.56Å | |
| C29 | N4 | doub | 1.31Å | 1.37Å | Aromatic |
| N1 | C6 | sing | 1.40Å | 1.40Å | |
| N1 | C10 | sing | 1.48Å | 1.48Å | |
| C6 | C1 | doub | 1.40Å | 1.42Å | Aromatic |
| C3 | N4 | sing | 1.34Å | 1.32Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.55Å | 1.55Å | |
| C9 | C10 | sing | 1.55Å | 1.51Å | |
| C1 | C2 | sing | 1.36Å | 1.39Å | Aromatic |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C27 | H13 | sing | 1.08Å | 1.08Å | |
| C28 | H14 | sing | 1.08Å | 1.08Å | |
| C29 | H15 | sing | 1.08Å | 1.08Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å | |
| C1 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | N3 | C24 | 103.9° | 111.0° |
| C26 | N3 | C23 | 115.2° | 111.0° |
| N3 | C26 | H33 | 109.5° | 109.4° |
| N3 | C26 | H34 | 109.5° | 109.4° |
| N3 | C26 | H35 | 109.5° | 109.5° |
| N3 | C24 | C25 | 106.2° | 109.5° |
| C24 | N3 | C23 | 116.8° | 111.2° |
| N3 | C24 | H31 | 110.3° | 109.4° |
| N3 | C24 | H32 | 110.3° | 109.5° |
| C24 | C25 | C21 | 106.9° | 109.3° |
| C24 | C25 | H29 | 110.1° | 109.5° |
| C24 | C25 | H30 | 110.1° | 109.5° |
| C25 | C24 | H31 | 110.3° | 109.5° |
| C25 | C24 | H32 | 110.3° | 109.5° |
| C25 | C21 | C22 | 100.4° | 109.1° |
| C25 | C21 | C20 | 100.0° | 109.5° |
| C25 | C21 | H28 | 114.7° | 109.5° |
| C21 | C25 | H29 | 110.1° | 109.5° |
| C21 | C25 | H30 | 110.1° | 109.5° |
| C22 | C21 | C20 | 110.2° | 109.6° |
| C21 | C22 | C23 | 116.8° | 109.3° |
| C22 | C21 | H28 | 114.8° | 109.5° |
| C21 | C22 | H38 | 107.6° | 109.5° |
| C21 | C22 | H39 | 107.6° | 109.5° |
| C21 | C20 | C19 | 117.2° | 109.5° |
| C21 | C20 | H26 | 107.5° | 109.5° |
| C21 | C20 | H27 | 107.5° | 109.5° |
| C20 | C21 | H28 | 114.9° | 109.6° |
| N3 | C23 | C22 | 112.0° | 109.5° |
| N3 | C23 | H36 | 108.8° | 109.5° |
| N3 | C23 | H37 | 108.9° | 109.5° |
| C22 | C23 | H36 | 108.8° | 109.5° |
| C22 | C23 | H37 | 108.8° | 109.5° |
| C23 | C22 | H38 | 107.6° | 109.5° |
| C23 | C22 | H39 | 107.6° | 109.5° |
| C20 | C19 | C18 | 105.0° | 109.4° |
| C20 | C19 | H24 | 110.6° | 109.5° |
| C20 | C19 | H25 | 110.6° | 109.4° |
| C19 | C20 | H26 | 107.5° | 109.5° |
| C19 | C20 | H27 | 107.5° | 109.4° |
| C17 | C18 | C19 | 112.9° | 109.5° |
| C18 | C17 | C14 | 118.2° | 109.5° |
| C18 | C17 | H20 | 107.2° | 109.4° |
| C18 | C17 | H21 | 107.2° | 109.5° |
| C17 | C18 | H22 | 108.6° | 109.4° |
| C17 | C18 | H23 | 108.6° | 109.5° |
| C19 | C18 | H22 | 108.6° | 109.5° |
| C19 | C18 | H23 | 108.6° | 109.5° |
| C18 | C19 | H24 | 110.6° | 109.4° |
| C18 | C19 | H25 | 110.6° | 109.5° |
| C17 | C14 | C15 | 115.7° | 120.0° |
| C17 | C14 | C13 | 127.3° | 120.0° |
| C14 | C17 | H20 | 107.2° | 109.4° |
| C14 | C17 | H21 | 107.3° | 109.5° |
| C15 | C14 | C13 | 116.8° | 120.0° |
| C14 | C15 | C16 | 123.7° | 120.0° |
| C14 | C15 | H19 | 118.2° | 120.0° |
| C14 | C13 | C12 | 120.9° | 120.0° |
| C14 | C13 | H10 | 119.5° | 120.0° |
| C15 | C16 | C11 | 118.8° | 120.0° |
| C15 | C16 | H18 | 120.6° | 120.1° |
| C16 | C15 | H19 | 118.1° | 120.0° |
| C13 | C12 | C11 | 120.9° | 120.0° |
| C13 | C12 | H9 | 119.6° | 120.0° |
| C12 | C13 | H10 | 119.6° | 120.0° |
| C16 | C11 | C12 | 118.4° | 120.0° |
| C16 | C11 | S | 117.9° | 120.0° |
| C11 | C16 | H18 | 120.6° | 119.9° |
| C12 | C11 | S | 123.5° | 120.0° |
| C11 | C12 | H9 | 119.6° | 120.0° |
| C11 | S | O1 | 112.3° | 106.4° |
| C11 | S | O2 | 104.8° | 106.4° |
| C11 | S | N2 | 110.7° | 107.2° |
| O1 | S | O2 | 111.2° | 123.2° |
| O1 | S | N2 | 107.2° | 106.4° |
| O2 | S | N2 | 110.6° | 106.4° |
| S | N2 | C5 | 122.6° | 120.0° |
| S | N2 | H11 | 106.1° | 120.0° |
| N2 | C5 | C4 | 121.0° | 120.3° |
| N2 | C5 | C6 | 119.8° | 120.3° |
| C5 | N2 | H11 | 106.1° | 120.0° |
| C28 | C27 | C4 | 122.2° | 118.2° |
| C27 | C28 | C29 | 119.2° | 120.0° |
| C28 | C27 | H13 | 118.9° | 120.9° |
| C27 | C28 | H14 | 120.4° | 120.0° |
| C27 | C4 | C5 | 123.7° | 121.3° |
| C27 | C4 | C3 | 116.2° | 119.0° |
| C4 | C27 | H13 | 118.9° | 120.9° |
| C28 | C29 | N4 | 119.1° | 121.7° |
| C29 | C28 | H14 | 120.4° | 120.0° |
| C28 | C29 | H15 | 120.5° | 119.1° |
| C4 | C5 | C6 | 118.4° | 119.4° |
| C5 | C4 | C3 | 120.1° | 119.6° |
| C5 | C6 | N1 | 122.1° | 119.8° |
| C5 | C6 | C1 | 120.9° | 120.5° |
| C4 | C3 | N4 | 120.1° | 119.8° |
| C4 | C3 | C2 | 120.5° | 119.3° |
| N1 | C7 | C8 | 105.5° | 107.2° |
| C7 | N1 | C6 | 117.1° | 111.0° |
| C7 | N1 | C10 | 109.6° | 108.6° |
| N1 | C7 | H1 | 110.5° | 109.9° |
| N1 | C7 | H2 | 110.4° | 109.9° |
| C7 | C8 | C9 | 104.1° | 103.0° |
| C8 | C7 | H1 | 110.4° | 109.8° |
| C8 | C7 | H2 | 110.5° | 109.9° |
| C7 | C8 | H3 | 110.8° | 110.7° |
| C7 | C8 | H4 | 110.8° | 110.7° |
| C29 | N4 | C3 | 123.3° | 121.3° |
| N4 | C29 | H15 | 120.5° | 119.1° |
| C6 | N1 | C10 | 118.6° | 111.0° |
| N1 | C6 | C1 | 116.9° | 119.8° |
| N1 | C10 | C9 | 104.1° | 104.8° |
| N1 | C10 | H7 | 110.8° | 110.4° |
| N1 | C10 | H8 | 110.8° | 110.5° |
| C6 | C1 | C2 | 120.9° | 121.1° |
| C6 | C1 | H17 | 119.5° | 119.4° |
| N4 | C3 | C2 | 119.3° | 120.9° |
| C3 | C2 | C1 | 119.1° | 120.1° |
| C3 | C2 | H16 | 120.4° | 120.0° |
| C8 | C9 | C10 | 105.3° | 101.7° |
| C9 | C8 | H3 | 110.8° | 110.7° |
| C9 | C8 | H4 | 110.8° | 110.7° |
| C8 | C9 | H5 | 110.5° | 111.0° |
| C8 | C9 | H6 | 110.5° | 111.0° |
| C10 | C9 | H5 | 110.5° | 111.0° |
| C10 | C9 | H6 | 110.5° | 111.0° |
| C9 | C10 | H7 | 110.8° | 110.3° |
| C9 | C10 | H8 | 110.8° | 110.4° |
| C1 | C2 | H16 | 120.5° | 119.9° |
| C2 | C1 | H17 | 119.5° | 119.5° |
| H1 | C7 | H2 | 109.5° | 110.0° |
| H3 | C8 | H4 | 109.5° | 110.8° |
| H5 | C9 | H6 | 109.5° | 110.9° |
| H7 | C10 | H8 | 109.4° | 110.3° |
| H20 | C17 | H21 | 109.5° | 109.4° |
| H22 | C18 | H23 | 109.4° | 109.5° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| H26 | C20 | H27 | 109.5° | 109.4° |
| H29 | C25 | H30 | 109.4° | 109.5° |
| H31 | C24 | H32 | 109.5° | 109.5° |
| H33 | C26 | H34 | 109.5° | 109.4° |
| H33 | C26 | H35 | 109.5° | 109.5° |
| H34 | C26 | H35 | 109.5° | 109.5° |
| H36 | C23 | H37 | 109.4° | 109.5° |
| H38 | C22 | H39 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | N3 | C24 | C23 | 128.1° | 124.1° |
| C26 | N3 | C24 | C25 | 179.4° | 174.2° |
| C26 | N3 | C23 | C22 | 160.4° | 174.1° |
| C26 | N3 | C24 | H31 | 59.9° | 54.2° |
| C26 | N3 | C24 | H32 | 61.1° | 65.8° |
| N3 | C26 | H33 | H34 | 120.0° | 119.9° |
| N3 | C26 | H33 | H35 | 120.0° | 120.0° |
| N3 | C26 | H34 | H35 | 120.0° | 120.0° |
| C26 | N3 | C23 | H36 | 40.0° | 65.8° |
| C26 | N3 | C23 | H37 | 79.2° | 54.1° |
| N3 | C24 | C25 | H31 | 119.5° | 120.0° |
| N3 | C24 | C25 | H32 | 119.5° | 120.0° |
| N3 | C24 | C25 | C21 | 71.5° | 59.2° |
| C24 | N3 | C23 | C22 | 38.1° | 61.8° |
| N3 | C24 | C25 | H29 | 48.1° | 179.1° |
| N3 | C24 | C25 | H30 | 168.8° | 60.8° |
| N3 | C24 | H31 | H32 | 121.5° | 120.0° |
| C24 | N3 | C26 | H33 | 180.0° | 64.1° |
| C24 | N3 | C26 | H34 | 60.0° | 55.8° |
| C24 | N3 | C26 | H35 | 60.0° | 175.8° |
| C24 | N3 | C23 | H36 | 82.3° | 58.2° |
| C24 | N3 | C23 | H37 | 158.5° | 178.2° |
| C24 | C25 | C21 | H29 | 119.6° | 119.9° |
| C24 | C25 | C21 | H30 | 119.6° | 120.0° |
| C24 | C25 | C21 | C22 | 72.3° | 57.7° |
| C24 | C25 | C21 | C20 | 174.8° | 177.6° |
| C25 | C24 | N3 | C23 | 52.5° | 61.8° |
| C24 | C25 | C21 | H28 | 51.3° | 62.2° |
| C24 | C25 | H29 | H30 | 121.2° | 120.1° |
| C25 | C24 | H31 | H32 | 121.5° | 120.0° |
| C25 | C21 | C22 | C20 | 104.8° | 119.9° |
| C25 | C21 | C22 | H28 | 123.6° | 119.9° |
| C25 | C21 | C20 | H28 | 123.3° | 120.1° |
| C25 | C21 | C22 | C23 | 58.9° | 57.7° |
| C25 | C21 | C20 | C19 | 124.1° | 175.0° |
| C25 | C21 | C20 | H26 | 3.0° | 55.0° |
| C25 | C21 | C20 | H27 | 114.8° | 65.0° |
| C21 | C25 | H29 | H30 | 121.2° | 120.1° |
| C21 | C25 | C24 | H31 | 169.0° | 179.2° |
| C21 | C25 | C24 | H32 | 47.9° | 60.8° |
| C25 | C21 | C22 | H38 | 62.2° | 62.3° |
| C25 | C21 | C22 | H39 | 180.0° | 177.6° |
| C22 | C21 | C20 | H28 | 131.6° | 120.2° |
| C21 | C22 | C23 | N3 | 42.7° | 59.2° |
| C21 | C22 | C23 | H38 | 121.1° | 120.0° |
| C21 | C22 | C23 | H39 | 121.1° | 119.9° |
| C22 | C21 | C20 | C19 | 19.0° | 65.3° |
| C22 | C21 | C20 | H26 | 102.1° | 174.6° |
| C22 | C21 | C20 | H27 | 140.1° | 54.6° |
| C22 | C21 | C25 | H29 | 47.3° | 177.6° |
| C22 | C21 | C25 | H30 | 168.1° | 62.3° |
| C21 | C22 | C23 | H36 | 77.7° | 60.8° |
| C21 | C22 | C23 | H37 | 163.1° | 179.2° |
| C21 | C22 | H38 | H39 | 116.7° | 120.1° |
| C20 | C21 | C22 | C23 | 163.7° | 177.6° |
| C21 | C20 | C19 | H26 | 121.1° | 120.1° |
| C21 | C20 | C19 | H27 | 121.1° | 120.0° |
| C21 | C20 | C19 | C18 | 94.4° | 180.0° |
| C21 | C20 | C19 | H24 | 24.9° | 60.0° |
| C21 | C20 | C19 | H25 | 146.3° | 60.0° |
| C21 | C20 | H26 | H27 | 116.5° | 120.0° |
| C20 | C21 | C25 | H29 | 65.6° | 62.5° |
| C20 | C21 | C25 | H30 | 55.2° | 57.6° |
| C20 | C21 | C22 | H38 | 42.6° | 57.6° |
| C20 | C21 | C22 | H39 | 75.2° | 62.5° |
| N3 | C23 | C22 | H36 | 120.4° | 120.0° |
| N3 | C23 | C22 | H37 | 120.4° | 120.0° |
| C23 | N3 | C24 | H31 | 172.0° | 178.2° |
| C23 | N3 | C24 | H32 | 66.9° | 58.2° |
| C23 | N3 | C26 | H33 | 51.0° | 60.1° |
| C23 | N3 | C26 | H34 | 69.0° | 180.0° |
| C23 | N3 | C26 | H35 | 171.0° | 60.0° |
| N3 | C23 | H36 | H37 | 118.8° | 120.0° |
| N3 | C23 | C22 | H38 | 78.3° | 60.8° |
| N3 | C23 | C22 | H39 | 163.8° | 179.1° |
| C23 | C22 | C21 | H28 | 64.7° | 62.2° |
| C22 | C23 | H36 | H37 | 118.8° | 120.0° |
| C23 | C22 | H38 | H39 | 116.7° | 120.1° |
| C20 | C19 | C18 | C17 | 128.4° | 180.0° |
| C20 | C19 | C18 | H24 | 119.3° | 120.0° |
| C20 | C19 | C18 | H25 | 119.3° | 120.0° |
| C20 | C19 | C18 | H22 | 111.1° | 60.0° |
| C20 | C19 | C18 | H23 | 7.8° | 60.0° |
| C20 | C19 | H24 | H25 | 122.1° | 120.0° |
| C19 | C20 | H26 | H27 | 116.5° | 120.0° |
| C19 | C20 | C21 | H28 | 112.6° | 54.9° |
| C17 | C18 | C19 | H22 | 120.5° | 119.9° |
| C17 | C18 | C19 | H23 | 120.5° | 120.0° |
| C18 | C17 | C14 | H20 | 121.2° | 120.0° |
| C18 | C17 | C14 | H21 | 121.2° | 120.1° |
| C18 | C17 | C14 | C15 | 159.7° | 90.0° |
| C18 | C17 | C14 | C13 | 23.8° | 89.6° |
| C18 | C17 | H20 | H21 | 116.0° | 120.0° |
| C17 | C18 | H22 | H23 | 118.4° | 120.0° |
| C17 | C18 | C19 | H24 | 112.3° | 60.1° |
| C17 | C18 | C19 | H25 | 9.1° | 60.0° |
| C19 | C18 | C17 | C14 | 97.5° | 180.0° |
| C19 | C18 | C17 | H20 | 23.7° | 60.0° |
| C19 | C18 | C17 | H21 | 141.3° | 59.9° |
| C19 | C18 | H22 | H23 | 118.4° | 120.1° |
| C18 | C19 | H24 | H25 | 122.0° | 120.0° |
| C18 | C19 | C20 | H26 | 144.5° | 60.0° |
| C18 | C19 | C20 | H27 | 26.7° | 60.0° |
| C17 | C14 | C15 | C13 | 176.9° | 179.6° |
| C17 | C14 | C15 | C16 | 178.2° | 179.7° |
| C17 | C14 | C13 | C12 | 174.5° | 179.7° |
| C17 | C14 | C13 | H10 | 5.5° | 0.3° |
| C17 | C14 | C15 | H19 | 1.8° | 0.3° |
| C14 | C17 | H20 | H21 | 116.1° | 120.0° |
| C14 | C17 | C18 | H22 | 23.0° | 60.0° |
| C14 | C17 | C18 | H23 | 142.0° | 59.9° |
| C14 | C15 | C16 | H19 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 9.0° | 0.1° |
| C14 | C15 | C16 | C11 | 0.5° | 0.0° |
| C15 | C14 | C13 | H10 | 171.0° | 180.0° |
| C14 | C15 | C16 | H18 | 179.5° | 180.0° |
| C15 | C14 | C17 | H20 | 79.1° | 150.0° |
| C15 | C14 | C17 | H21 | 38.4° | 30.1° |
| C13 | C14 | C15 | C16 | 4.9° | 0.0° |
| C14 | C13 | C12 | H10 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 7.9° | 0.1° |
| C14 | C13 | C12 | H9 | 172.1° | 180.0° |
| C13 | C14 | C15 | H19 | 175.1° | 179.9° |
| C13 | C14 | C17 | H20 | 97.4° | 30.4° |
| C13 | C14 | C17 | H21 | 145.0° | 150.3° |
| C15 | C16 | C11 | H18 | 180.0° | 180.0° |
| C15 | C16 | C11 | C12 | 1.9° | 0.0° |
| C15 | C16 | C11 | S | 176.5° | 180.0° |
| C13 | C12 | C11 | C16 | 2.2° | 0.0° |
| C13 | C12 | C11 | H9 | 180.0° | 180.0° |
| C13 | C12 | C11 | S | 172.1° | 180.0° |
| C16 | C11 | C12 | S | 174.3° | 180.0° |
| C16 | C11 | S | O1 | 47.8° | 151.0° |
| C16 | C11 | S | O2 | 168.6° | 18.1° |
| C16 | C11 | S | N2 | 72.1° | 95.5° |
| C16 | C11 | C12 | H9 | 177.8° | 180.0° |
| C11 | C16 | C15 | H19 | 179.5° | 180.0° |
| C12 | C11 | S | O1 | 137.9° | 29.0° |
| C12 | C11 | S | O2 | 17.0° | 161.9° |
| C12 | C11 | S | N2 | 102.3° | 84.5° |
| C11 | C12 | C13 | H10 | 172.1° | 180.0° |
| C12 | C11 | C16 | H18 | 178.1° | 180.0° |
| C11 | S | O1 | O2 | 117.1° | 123.0° |
| C11 | S | O1 | N2 | 121.9° | 114.1° |
| C11 | S | O2 | N2 | 119.4° | 114.1° |
| C11 | S | N2 | C5 | 77.8° | 60.1° |
| S | C11 | C12 | H9 | 7.9° | 0.0° |
| C11 | S | N2 | H11 | 44.0° | 120.0° |
| S | C11 | C16 | H18 | 3.4° | 0.0° |
| O1 | S | O2 | N2 | 119.0° | 123.0° |
| O1 | S | N2 | C5 | 159.4° | 173.6° |
| O1 | S | N2 | H11 | 78.8° | 6.5° |
| O2 | S | N2 | C5 | 38.0° | 53.5° |
| O2 | S | N2 | H11 | 159.8° | 126.5° |
| S | N2 | C5 | H11 | 121.8° | 179.9° |
| S | N2 | C5 | C4 | 82.7° | 115.7° |
| S | N2 | C5 | C6 | 87.2° | 64.3° |
| N2 | C5 | C4 | C27 | 9.3° | 0.2° |
| N2 | C5 | C4 | C6 | 170.0° | 180.0° |
| N2 | C5 | C4 | C3 | 173.5° | 179.9° |
| N2 | C5 | C6 | N1 | 11.0° | 0.1° |
| N2 | C5 | C6 | C1 | 172.4° | 180.0° |
| C28 | C27 | C4 | H13 | 180.0° | 179.9° |
| C27 | C28 | C29 | H14 | 180.0° | 180.0° |
| C28 | C27 | C4 | C5 | 175.2° | 179.7° |
| C28 | C27 | C4 | C3 | 2.2° | 0.0° |
| C27 | C28 | C29 | N4 | 2.8° | 0.2° |
| C27 | C28 | C29 | H15 | 177.2° | 179.9° |
| C4 | C27 | C28 | C29 | 3.0° | 0.1° |
| C27 | C4 | C5 | C3 | 177.2° | 179.7° |
| C27 | C4 | C5 | C6 | 179.3° | 179.7° |
| C27 | C4 | C3 | N4 | 1.1° | 0.3° |
| C27 | C4 | C3 | C2 | 179.4° | 179.8° |
| C4 | C27 | C28 | H14 | 177.0° | 180.0° |
| C28 | C29 | N4 | H15 | 180.0° | 179.8° |
| C28 | C29 | N4 | C3 | 1.9° | 0.5° |
| C29 | C28 | C27 | H13 | 177.0° | 180.0° |
| C4 | C5 | C6 | N1 | 178.9° | 180.0° |
| C4 | C5 | C6 | C1 | 2.2° | 0.0° |
| C5 | C4 | C3 | N4 | 176.3° | 180.0° |
| C5 | C4 | C3 | C2 | 2.0° | 0.1° |
| C4 | C5 | N2 | H11 | 39.1° | 64.3° |
| C5 | C4 | C27 | H13 | 4.8° | 0.3° |
| C6 | C5 | C4 | C3 | 3.4° | 0.0° |
| C5 | C6 | N1 | C7 | 36.1° | 127.4° |
| C5 | C6 | N1 | C1 | 176.8° | 180.0° |
| C5 | C6 | N1 | C10 | 171.1° | 111.8° |
| C5 | C6 | C1 | C2 | 0.6° | 0.0° |
| C6 | C5 | N2 | H11 | 151.0° | 115.7° |
| C5 | C6 | C1 | H17 | 179.4° | 180.0° |
| C4 | C3 | N4 | C29 | 1.1° | 0.5° |
| C4 | C3 | N4 | C2 | 178.3° | 180.0° |
| C4 | C3 | C2 | C1 | 0.8° | 0.1° |
| C3 | C4 | C27 | H13 | 177.9° | 180.0° |
| C4 | C3 | C2 | H16 | 179.2° | 180.0° |
| N1 | C7 | C8 | H1 | 119.4° | 119.4° |
| N1 | C7 | C8 | H2 | 119.4° | 119.5° |
| C7 | N1 | C6 | C10 | 135.0° | 120.8° |
| C7 | N1 | C6 | C1 | 140.7° | 52.7° |
| N1 | C7 | C8 | C9 | 11.5° | 22.2° |
| C7 | N1 | C10 | C9 | 27.7° | 24.1° |
| N1 | C7 | H1 | H2 | 121.8° | 121.2° |
| N1 | C7 | C8 | H3 | 107.7° | 96.1° |
| N1 | C7 | C8 | H4 | 130.6° | 140.6° |
| C7 | N1 | C10 | H7 | 146.8° | 94.7° |
| C7 | N1 | C10 | H8 | 91.5° | 143.0° |
| C8 | C7 | N1 | C6 | 148.6° | 123.3° |
| C8 | C7 | N1 | C10 | 9.8° | 1.0° |
| C7 | C8 | C9 | H3 | 119.1° | 118.4° |
| C7 | C8 | C9 | H4 | 119.1° | 118.4° |
| C7 | C8 | C9 | C10 | 28.3° | 35.6° |
| C8 | C7 | H1 | H2 | 121.8° | 121.1° |
| C7 | C8 | H3 | H4 | 122.5° | 123.2° |
| C7 | C8 | C9 | H5 | 147.7° | 153.7° |
| C7 | C8 | C9 | H6 | 91.0° | 82.5° |
| C29 | N4 | C3 | C2 | 179.4° | 179.5° |
| N4 | C29 | C28 | H14 | 177.2° | 179.8° |
| C6 | N1 | C10 | C9 | 165.8° | 146.4° |
| N1 | C6 | C1 | C2 | 176.3° | 179.9° |
| C6 | N1 | C7 | H1 | 29.2° | 117.4° |
| C6 | N1 | C7 | H2 | 92.0° | 3.9° |
| C6 | N1 | C10 | H7 | 75.1° | 27.6° |
| C6 | N1 | C10 | H8 | 46.6° | 94.8° |
| N1 | C6 | C1 | H17 | 3.8° | 0.0° |
| C10 | N1 | C6 | C1 | 5.6° | 68.2° |
| N1 | C10 | C9 | C8 | 34.4° | 37.1° |
| N1 | C10 | C9 | H7 | 119.2° | 118.9° |
| N1 | C10 | C9 | H8 | 119.1° | 118.9° |
| C10 | N1 | C7 | H1 | 109.6° | 120.4° |
| C10 | N1 | C7 | H2 | 129.2° | 118.4° |
| N1 | C10 | C9 | H5 | 153.7° | 155.2° |
| N1 | C10 | C9 | H6 | 84.9° | 81.0° |
| N1 | C10 | H7 | H8 | 122.5° | 122.4° |
| C6 | C1 | C2 | C3 | 2.1° | 0.1° |
| C6 | C1 | C2 | H17 | 180.0° | 180.0° |
| C6 | C1 | C2 | H16 | 177.9° | 180.0° |
| N4 | C3 | C2 | C1 | 179.1° | 179.9° |
| C3 | N4 | C29 | H15 | 178.2° | 179.8° |
| N4 | C3 | C2 | H16 | 0.9° | 0.0° |
| C3 | C2 | C1 | H16 | 180.0° | 180.0° |
| C3 | C2 | C1 | H17 | 177.9° | 179.9° |
| C8 | C9 | C10 | H5 | 119.3° | 118.1° |
| C8 | C9 | C10 | H6 | 119.3° | 118.1° |
| C9 | C8 | C7 | H1 | 130.9° | 97.2° |
| C9 | C8 | C7 | H2 | 107.9° | 141.7° |
| C9 | C8 | H3 | H4 | 122.5° | 123.2° |
| C8 | C9 | H5 | H6 | 121.9° | 123.9° |
| C8 | C9 | C10 | H7 | 153.6° | 81.8° |
| C8 | C9 | C10 | H8 | 84.7° | 156.0° |
| C10 | C9 | C8 | H3 | 90.8° | 82.7° |
| C10 | C9 | C8 | H4 | 147.4° | 154.0° |
| C10 | C9 | H5 | H6 | 121.9° | 123.9° |
| C9 | C10 | H7 | H8 | 122.5° | 122.2° |
| H1 | C7 | C8 | H3 | 11.7° | 144.5° |
| H1 | C7 | C8 | H4 | 110.0° | 21.2° |
| H2 | C7 | C8 | H3 | 133.0° | 23.3° |
| H2 | C7 | C8 | H4 | 11.3° | 99.9° |
| H3 | C8 | C9 | H5 | 28.5° | 35.4° |
| H3 | C8 | C9 | H6 | 149.8° | 159.2° |
| H4 | C8 | C9 | H5 | 93.2° | 87.9° |
| H4 | C8 | C9 | H6 | 28.1° | 35.9° |
| H5 | C9 | C10 | H7 | 87.1° | 36.3° |
| H5 | C9 | C10 | H8 | 34.6° | 85.9° |
| H6 | C9 | C10 | H7 | 34.2° | 160.1° |
| H6 | C9 | C10 | H8 | 155.9° | 37.9° |
| H9 | C12 | C13 | H10 | 7.9° | 0.0° |
| H13 | C27 | C28 | H14 | 3.0° | 0.0° |
| H14 | C28 | C29 | H15 | 2.7° | 0.0° |
| H16 | C2 | C1 | H17 | 2.1° | 0.0° |
| H18 | C16 | C15 | H19 | 0.5° | 0.0° |
| H20 | C17 | C18 | H22 | 144.3° | 180.0° |
| H20 | C17 | C18 | H23 | 96.8° | 60.0° |
| H21 | C17 | C18 | H22 | 98.2° | 60.1° |
| H21 | C17 | C18 | H23 | 20.7° | 180.0° |
| H22 | C18 | C19 | H24 | 8.2° | 180.0° |
| H22 | C18 | C19 | H25 | 129.6° | 59.9° |
| H23 | C18 | C19 | H24 | 127.1° | 60.0° |
| H23 | C18 | C19 | H25 | 111.5° | 180.0° |
| H24 | C19 | C20 | H26 | 96.2° | 179.9° |
| H24 | C19 | C20 | H27 | 146.0° | 60.0° |
| H25 | C19 | C20 | H26 | 25.2° | 60.0° |
| H25 | C19 | C20 | H27 | 92.6° | 180.0° |
| H26 | C20 | C21 | H28 | 126.3° | 65.2° |
| H27 | C20 | C21 | H28 | 8.5° | 174.8° |
| H28 | C21 | C25 | H29 | 170.9° | 57.7° |
| H28 | C21 | C25 | H30 | 68.3° | 177.8° |
| H28 | C21 | C22 | H38 | 174.3° | 177.8° |
| H28 | C21 | C22 | H39 | 56.4° | 57.7° |
| H29 | C25 | C24 | H31 | 71.4° | 60.9° |
| H29 | C25 | C24 | H32 | 167.6° | 59.1° |
| H30 | C25 | C24 | H31 | 49.4° | 59.2° |
| H30 | C25 | C24 | H32 | 71.7° | 179.2° |
| H33 | C26 | H34 | H35 | 120.0° | 120.1° |
| H36 | C23 | C22 | H38 | 161.3° | 179.2° |
| H36 | C23 | C22 | H39 | 43.4° | 59.1° |
| H37 | C23 | C22 | H38 | 42.1° | 59.2° |
| H37 | C23 | C22 | H39 | 75.8° | 60.9° |
