F5E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | N4 | sing | 1.47Å | 1.45Å | |
| C24 | N4 | sing | 1.47Å | 1.46Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| N4 | C26 | sing | 1.47Å | 1.45Å | |
| C22 | C23 | sing | 1.53Å | 1.49Å | |
| C22 | C27 | sing | 1.53Å | 1.51Å | |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C15 | sing | 1.51Å | 1.53Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| O1 | S | doub | 1.42Å | 1.45Å | |
| C17 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | S | sing | 1.76Å | 1.63Å | |
| O2 | S | doub | 1.42Å | 1.43Å | |
| S | N3 | sing | 1.66Å | 1.73Å | |
| N3 | C11 | sing | 1.39Å | 1.46Å | |
| C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | N2 | sing | 1.34Å | 1.33Å | Aromatic |
| C11 | C10 | sing | 1.46Å | 1.43Å | Aromatic |
| C11 | C5 | doub | 1.37Å | 1.43Å | Aromatic |
| C10 | C8 | sing | 1.47Å | 1.43Å | Aromatic |
| C28 | N2 | sing | 1.47Å | 1.48Å | |
| N2 | N1 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | C2 | sing | 1.53Å | 1.50Å | |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | N1 | doub | 1.32Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.41Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | doub | 1.36Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | N4 | C24 | 115.8° | 111.0° |
| C25 | N4 | C26 | 115.6° | 111.0° |
| N4 | C25 | H35 | 109.5° | 109.5° |
| N4 | C25 | H36 | 109.5° | 109.5° |
| N4 | C25 | H37 | 109.4° | 109.5° |
| N4 | C24 | C23 | 111.3° | 109.5° |
| C24 | N4 | C26 | 125.8° | 111.2° |
| N4 | C24 | H32 | 109.0° | 109.5° |
| N4 | C24 | H33 | 109.0° | 109.5° |
| C24 | C23 | C22 | 112.1° | 109.3° |
| C24 | C23 | H30 | 108.8° | 109.5° |
| C24 | C23 | H31 | 108.8° | 109.5° |
| C23 | C24 | H32 | 109.0° | 109.4° |
| C23 | C24 | H33 | 109.0° | 109.4° |
| N4 | C26 | C27 | 114.1° | 109.5° |
| N4 | C26 | H38 | 108.3° | 109.4° |
| N4 | C26 | H39 | 108.3° | 109.4° |
| C23 | C22 | C27 | 109.4° | 109.2° |
| C23 | C22 | C21 | 108.3° | 109.5° |
| C23 | C22 | H29 | 110.6° | 109.5° |
| C22 | C23 | H30 | 108.8° | 109.5° |
| C22 | C23 | H31 | 108.8° | 109.6° |
| C27 | C22 | C21 | 107.7° | 109.5° |
| C22 | C27 | C26 | 115.8° | 109.3° |
| C27 | C22 | H29 | 110.4° | 109.6° |
| C22 | C27 | H40 | 107.9° | 109.6° |
| C22 | C27 | H41 | 107.9° | 109.5° |
| C22 | C21 | C20 | 110.5° | 109.5° |
| C22 | C21 | H27 | 109.2° | 109.5° |
| C22 | C21 | H28 | 109.2° | 109.5° |
| C21 | C22 | H29 | 110.3° | 109.6° |
| C27 | C26 | H38 | 108.3° | 109.5° |
| C27 | C26 | H39 | 108.3° | 109.5° |
| C26 | C27 | H40 | 107.9° | 109.5° |
| C26 | C27 | H41 | 107.9° | 109.4° |
| C21 | C20 | C19 | 112.7° | 109.5° |
| C21 | C20 | H25 | 108.7° | 109.5° |
| C21 | C20 | H26 | 108.7° | 109.5° |
| C20 | C21 | H27 | 109.2° | 109.5° |
| C20 | C21 | H28 | 109.2° | 109.5° |
| C20 | C19 | C18 | 108.3° | 109.5° |
| C20 | C19 | H23 | 109.7° | 109.5° |
| C20 | C19 | H24 | 109.8° | 109.5° |
| C19 | C20 | H25 | 108.7° | 109.5° |
| C19 | C20 | H26 | 108.7° | 109.4° |
| C19 | C18 | C15 | 117.5° | 109.5° |
| C19 | C18 | H21 | 107.4° | 109.5° |
| C19 | C18 | H22 | 107.4° | 109.5° |
| C18 | C19 | H23 | 109.8° | 109.5° |
| C18 | C19 | H24 | 109.8° | 109.5° |
| C18 | C15 | C16 | 121.8° | 120.0° |
| C18 | C15 | C14 | 119.3° | 119.9° |
| C15 | C18 | H21 | 107.4° | 109.5° |
| C15 | C18 | H22 | 107.4° | 109.4° |
| C16 | C15 | C14 | 118.8° | 120.0° |
| C15 | C16 | C17 | 119.1° | 120.0° |
| C15 | C16 | H19 | 120.5° | 120.0° |
| C15 | C14 | C13 | 122.0° | 120.0° |
| C15 | C14 | H18 | 119.0° | 120.0° |
| C16 | C17 | C12 | 121.5° | 120.0° |
| C17 | C16 | H19 | 120.4° | 120.0° |
| C16 | C17 | H20 | 119.3° | 120.0° |
| C14 | C13 | C12 | 119.8° | 120.0° |
| C14 | C13 | H17 | 120.1° | 120.0° |
| C13 | C14 | H18 | 119.0° | 120.0° |
| O1 | S | C12 | 109.0° | 106.4° |
| O1 | S | O2 | 104.0° | 123.2° |
| O1 | S | N3 | 116.2° | 106.4° |
| C17 | C12 | C13 | 118.8° | 120.0° |
| C17 | C12 | S | 121.3° | 120.0° |
| C12 | C17 | H20 | 119.2° | 120.0° |
| C13 | C12 | S | 119.8° | 120.0° |
| C12 | C13 | H17 | 120.1° | 120.0° |
| C12 | S | O2 | 112.0° | 106.4° |
| C12 | S | N3 | 106.5° | 107.2° |
| O2 | S | N3 | 109.2° | 106.4° |
| S | N3 | C11 | 131.2° | 120.0° |
| S | N3 | H13 | 103.8° | 120.0° |
| N3 | C11 | C10 | 129.6° | 120.6° |
| N3 | C11 | C5 | 117.7° | 120.6° |
| C11 | N3 | H13 | 103.8° | 120.0° |
| C10 | C9 | N2 | 108.1° | 107.9° |
| C9 | C10 | C11 | 131.7° | 135.1° |
| C9 | C10 | C8 | 105.4° | 106.5° |
| C10 | C9 | H12 | 126.0° | 126.1° |
| C9 | N2 | C28 | 132.0° | 125.0° |
| C9 | N2 | N1 | 111.4° | 109.9° |
| N2 | C9 | H12 | 126.0° | 126.0° |
| C10 | C11 | C5 | 111.9° | 118.8° |
| C11 | C10 | C8 | 122.9° | 118.4° |
| C11 | C5 | C4 | 120.6° | 119.2° |
| C11 | C5 | C6 | 124.6° | 121.5° |
| C10 | C8 | N1 | 109.8° | 106.7° |
| C10 | C8 | C7 | 122.0° | 118.5° |
| C28 | N2 | N1 | 116.6° | 125.1° |
| N2 | C28 | H14 | 109.5° | 109.5° |
| N2 | C28 | H15 | 109.4° | 109.5° |
| N2 | C28 | H16 | 109.5° | 109.5° |
| N2 | N1 | C8 | 105.3° | 109.0° |
| C5 | C4 | C2 | 114.5° | 109.5° |
| C4 | C5 | C6 | 114.8° | 119.2° |
| C5 | C4 | H8 | 108.2° | 109.5° |
| C5 | C4 | H9 | 108.2° | 109.5° |
| C4 | C2 | C1 | 109.0° | 109.5° |
| C4 | C2 | C3 | 114.3° | 109.5° |
| C4 | C2 | H4 | 108.8° | 109.4° |
| C2 | C4 | H8 | 108.2° | 109.5° |
| C2 | C4 | H9 | 108.2° | 109.5° |
| C5 | C6 | C7 | 121.9° | 122.6° |
| C5 | C6 | H10 | 119.0° | 118.7° |
| N1 | C8 | C7 | 128.2° | 134.8° |
| C8 | C7 | C6 | 116.6° | 120.3° |
| C8 | C7 | H11 | 121.7° | 119.8° |
| C1 | C2 | C3 | 107.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 108.5° | 109.5° |
| C7 | C6 | H10 | 119.1° | 118.8° |
| C6 | C7 | H11 | 121.7° | 119.9° |
| C3 | C2 | H4 | 108.7° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C3 | H6 | 109.5° | 109.4° |
| C2 | C3 | H7 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H7 | 109.4° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H14 | C28 | H15 | 109.4° | 109.4° |
| H14 | C28 | H16 | 109.5° | 109.5° |
| H15 | C28 | H16 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.4° | 109.5° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| H25 | C20 | H26 | 109.5° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H32 | C24 | H33 | 109.4° | 109.5° |
| H35 | C25 | H36 | 109.4° | 109.4° |
| H35 | C25 | H37 | 109.5° | 109.5° |
| H36 | C25 | H37 | 109.5° | 109.4° |
| H38 | C26 | H39 | 109.4° | 109.5° |
| H40 | C27 | H41 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | N4 | C24 | C26 | 160.1° | 124.1° |
| C25 | N4 | C24 | C23 | 175.3° | 174.2° |
| C25 | N4 | C26 | C27 | 175.1° | 174.2° |
| C25 | N4 | C24 | H32 | 55.0° | 65.9° |
| C25 | N4 | C24 | H33 | 64.4° | 54.2° |
| N4 | C25 | H35 | H36 | 120.0° | 120.0° |
| N4 | C25 | H35 | H37 | 120.0° | 120.1° |
| N4 | C25 | H36 | H37 | 120.0° | 120.0° |
| C25 | N4 | C26 | H38 | 54.4° | 65.8° |
| C25 | N4 | C26 | H39 | 64.2° | 54.2° |
| N4 | C24 | C23 | H32 | 120.3° | 120.0° |
| N4 | C24 | C23 | H33 | 120.3° | 120.0° |
| N4 | C24 | C23 | C22 | 47.4° | 59.2° |
| C24 | N4 | C26 | C27 | 14.9° | 61.7° |
| N4 | C24 | C23 | H30 | 73.0° | 179.1° |
| N4 | C24 | C23 | H31 | 167.8° | 60.8° |
| N4 | C24 | H32 | H33 | 119.2° | 120.0° |
| C24 | N4 | C25 | H35 | 180.0° | 60.0° |
| C24 | N4 | C25 | H36 | 60.0° | 180.0° |
| C24 | N4 | C25 | H37 | 60.0° | 60.0° |
| C24 | N4 | C26 | H38 | 105.8° | 58.3° |
| C24 | N4 | C26 | H39 | 135.6° | 178.2° |
| C23 | C24 | N4 | C26 | 24.6° | 61.7° |
| C24 | C23 | C22 | H30 | 120.4° | 119.9° |
| C24 | C23 | C22 | H31 | 120.4° | 120.0° |
| C24 | C23 | C22 | C27 | 61.5° | 57.7° |
| C24 | C23 | C22 | C21 | 178.7° | 177.6° |
| C24 | C23 | C22 | H29 | 60.3° | 62.3° |
| C24 | C23 | H30 | H31 | 118.8° | 120.0° |
| C23 | C24 | H32 | H33 | 119.1° | 119.9° |
| N4 | C26 | C27 | C22 | 27.7° | 59.2° |
| N4 | C26 | C27 | H38 | 120.7° | 120.0° |
| N4 | C26 | C27 | H39 | 120.7° | 120.0° |
| C26 | N4 | C24 | H32 | 144.8° | 58.3° |
| C26 | N4 | C24 | H33 | 95.7° | 178.3° |
| C26 | N4 | C25 | H35 | 17.8° | 175.8° |
| C26 | N4 | C25 | H36 | 102.2° | 55.8° |
| C26 | N4 | C25 | H37 | 137.8° | 64.2° |
| N4 | C26 | H38 | H39 | 117.9° | 119.9° |
| N4 | C26 | C27 | H40 | 93.2° | 60.8° |
| N4 | C26 | C27 | H41 | 148.7° | 179.1° |
| C23 | C22 | C27 | C21 | 117.5° | 119.9° |
| C23 | C22 | C27 | H29 | 122.0° | 119.9° |
| C23 | C22 | C21 | H29 | 121.2° | 120.1° |
| C23 | C22 | C27 | C26 | 51.5° | 57.7° |
| C23 | C22 | C21 | C20 | 179.9° | 175.0° |
| C23 | C22 | C21 | H27 | 59.8° | 55.0° |
| C23 | C22 | C21 | H28 | 59.9° | 65.0° |
| C22 | C23 | H30 | H31 | 118.8° | 120.2° |
| C22 | C23 | C24 | H32 | 167.7° | 60.8° |
| C22 | C23 | C24 | H33 | 72.9° | 179.2° |
| C23 | C22 | C27 | H40 | 69.4° | 62.2° |
| C23 | C22 | C27 | H41 | 172.4° | 177.6° |
| C27 | C22 | C21 | H29 | 120.6° | 120.2° |
| C22 | C27 | C26 | H40 | 120.9° | 120.0° |
| C22 | C27 | C26 | H41 | 120.9° | 119.9° |
| C27 | C22 | C21 | C20 | 61.7° | 65.3° |
| C27 | C22 | C21 | H27 | 58.5° | 174.7° |
| C27 | C22 | C21 | H28 | 178.2° | 54.7° |
| C27 | C22 | C23 | H30 | 58.8° | 177.6° |
| C27 | C22 | C23 | H31 | 178.0° | 62.3° |
| C22 | C27 | C26 | H38 | 93.0° | 60.8° |
| C22 | C27 | C26 | H39 | 148.4° | 179.2° |
| C22 | C27 | H40 | H41 | 117.1° | 120.2° |
| C21 | C22 | C27 | C26 | 169.1° | 177.6° |
| C22 | C21 | C20 | H27 | 120.2° | 120.0° |
| C22 | C21 | C20 | H28 | 120.2° | 120.0° |
| C22 | C21 | C20 | C19 | 167.1° | 180.0° |
| C22 | C21 | C20 | H25 | 46.6° | 60.0° |
| C22 | C21 | C20 | H26 | 72.4° | 60.1° |
| C22 | C21 | H27 | H28 | 119.5° | 120.0° |
| C21 | C22 | C23 | H30 | 58.3° | 62.5° |
| C21 | C22 | C23 | H31 | 60.9° | 57.6° |
| C21 | C22 | C27 | H40 | 48.1° | 57.6° |
| C21 | C22 | C27 | H41 | 70.0° | 62.5° |
| C26 | C27 | C22 | H29 | 70.5° | 62.2° |
| C27 | C26 | H38 | H39 | 117.9° | 120.0° |
| C26 | C27 | H40 | H41 | 117.2° | 120.0° |
| C21 | C20 | C19 | H25 | 120.5° | 120.0° |
| C21 | C20 | C19 | H26 | 120.5° | 120.0° |
| C21 | C20 | C19 | C18 | 84.9° | 180.0° |
| C21 | C20 | C19 | H23 | 34.9° | 60.0° |
| C21 | C20 | C19 | H24 | 155.3° | 60.0° |
| C21 | C20 | H25 | H26 | 118.6° | 120.0° |
| C20 | C21 | H27 | H28 | 119.5° | 120.0° |
| C20 | C21 | C22 | H29 | 58.9° | 54.9° |
| C20 | C19 | C18 | H23 | 119.8° | 120.0° |
| C20 | C19 | C18 | H24 | 119.8° | 120.0° |
| C20 | C19 | C18 | C15 | 102.0° | 180.0° |
| C20 | C19 | C18 | H21 | 19.2° | 60.0° |
| C20 | C19 | C18 | H22 | 136.8° | 60.1° |
| C20 | C19 | H23 | H24 | 120.5° | 120.0° |
| C19 | C20 | H25 | H26 | 118.5° | 120.0° |
| C19 | C20 | C21 | H27 | 72.7° | 60.0° |
| C19 | C20 | C21 | H28 | 46.9° | 60.0° |
| C19 | C18 | C15 | H21 | 121.2° | 120.0° |
| C19 | C18 | C15 | H22 | 121.1° | 119.9° |
| C19 | C18 | C15 | C16 | 83.7° | 90.0° |
| C19 | C18 | C15 | C14 | 99.9° | 89.8° |
| C19 | C18 | H21 | H22 | 116.3° | 120.0° |
| C18 | C19 | H23 | H24 | 120.6° | 120.0° |
| C18 | C19 | C20 | H25 | 154.6° | 60.0° |
| C18 | C19 | C20 | H26 | 35.6° | 60.0° |
| C18 | C15 | C16 | C14 | 176.4° | 179.7° |
| C18 | C15 | C16 | C17 | 177.9° | 180.0° |
| C18 | C15 | C14 | C13 | 178.9° | 179.7° |
| C18 | C15 | C14 | H18 | 1.1° | 0.3° |
| C18 | C15 | C16 | H19 | 2.1° | 0.3° |
| C15 | C18 | H21 | H22 | 116.4° | 120.0° |
| C15 | C18 | C19 | H23 | 138.2° | 60.0° |
| C15 | C18 | C19 | H24 | 17.8° | 60.0° |
| C15 | C16 | C17 | H19 | 180.0° | 179.7° |
| C16 | C15 | C14 | C13 | 2.4° | 0.0° |
| C15 | C16 | C17 | C12 | 0.6° | 0.5° |
| C16 | C15 | C14 | H18 | 177.6° | 180.0° |
| C15 | C16 | C17 | H20 | 179.4° | 180.0° |
| C16 | C15 | C18 | H21 | 155.1° | 150.0° |
| C16 | C15 | C18 | H22 | 37.4° | 30.0° |
| C14 | C15 | C16 | C17 | 1.5° | 0.2° |
| C15 | C14 | C13 | H18 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 1.1° | 0.0° |
| C15 | C14 | C13 | H17 | 178.9° | 180.0° |
| C14 | C15 | C16 | H19 | 178.5° | 180.0° |
| C14 | C15 | C18 | H21 | 21.3° | 30.2° |
| C14 | C15 | C18 | H22 | 139.0° | 150.3° |
| C16 | C17 | C12 | H20 | 180.0° | 179.5° |
| C16 | C17 | C12 | C13 | 1.9° | 0.5° |
| C16 | C17 | C12 | S | 178.0° | 179.7° |
| C14 | C13 | C12 | C17 | 1.0° | 0.2° |
| C14 | C13 | C12 | H17 | 180.0° | 180.0° |
| C14 | C13 | C12 | S | 177.2° | 180.0° |
| O1 | S | C12 | C17 | 46.8° | 28.7° |
| O1 | S | C12 | C13 | 137.1° | 151.1° |
| O1 | S | C12 | O2 | 114.6° | 132.9° |
| O1 | S | C12 | N3 | 126.1° | 113.5° |
| O1 | S | O2 | N3 | 124.7° | 123.0° |
| O1 | S | N3 | C11 | 178.2° | 48.4° |
| O1 | S | N3 | H13 | 59.0° | 131.6° |
| C17 | C12 | C13 | S | 176.2° | 179.8° |
| C17 | C12 | S | O2 | 161.3° | 161.6° |
| C17 | C12 | S | N3 | 79.3° | 84.9° |
| C17 | C12 | C13 | H17 | 179.0° | 179.7° |
| C12 | C17 | C16 | H19 | 179.4° | 179.8° |
| C13 | C12 | S | O2 | 22.6° | 18.2° |
| C13 | C12 | S | N3 | 96.8° | 95.3° |
| C12 | C13 | C14 | H18 | 178.9° | 180.0° |
| C13 | C12 | C17 | H20 | 178.1° | 180.0° |
| C12 | S | O2 | N3 | 117.7° | 114.1° |
| C12 | S | N3 | C11 | 60.1° | 65.1° |
| C12 | S | N3 | H13 | 62.7° | 114.9° |
| S | C12 | C13 | H17 | 2.9° | 0.1° |
| S | C12 | C17 | H20 | 2.0° | 0.2° |
| O2 | S | N3 | C11 | 61.0° | 178.7° |
| O2 | S | N3 | H13 | 176.2° | 1.4° |
| S | N3 | C11 | H13 | 122.8° | 179.9° |
| S | N3 | C11 | C10 | 67.3° | 57.3° |
| S | N3 | C11 | C5 | 101.3° | 122.8° |
| N3 | C11 | C10 | C9 | 11.8° | 0.1° |
| N3 | C11 | C10 | C5 | 169.1° | 179.9° |
| N3 | C11 | C10 | C8 | 168.7° | 179.6° |
| N3 | C11 | C5 | C4 | 8.8° | 0.2° |
| N3 | C11 | C5 | C6 | 168.8° | 179.6° |
| C10 | C9 | N2 | H12 | 180.0° | 179.9° |
| C9 | C10 | C11 | C8 | 179.5° | 179.8° |
| C9 | C10 | C11 | C5 | 179.1° | 179.7° |
| C10 | C9 | N2 | C28 | 179.5° | 179.9° |
| C10 | C9 | N2 | N1 | 0.8° | 0.1° |
| C9 | C10 | C8 | N1 | 0.7° | 0.0° |
| C9 | C10 | C8 | C7 | 179.8° | 180.0° |
| N2 | C9 | C10 | C11 | 179.5° | 179.7° |
| N2 | C9 | C10 | C8 | 0.9° | 0.1° |
| C9 | N2 | C28 | N1 | 179.6° | 180.0° |
| C9 | N2 | N1 | C8 | 0.4° | 0.0° |
| C9 | N2 | C28 | H14 | 179.7° | 90.0° |
| C9 | N2 | C28 | H15 | 60.4° | 150.0° |
| C9 | N2 | C28 | H16 | 59.6° | 30.0° |
| C10 | C11 | C5 | C4 | 179.3° | 179.7° |
| C10 | C11 | C5 | C6 | 1.8° | 0.5° |
| C11 | C10 | C8 | N1 | 179.7° | 179.8° |
| C11 | C10 | C8 | C7 | 0.5° | 0.2° |
| C11 | C10 | C9 | H12 | 0.5° | 0.1° |
| C10 | C11 | N3 | H13 | 55.5° | 122.7° |
| C5 | C11 | C10 | C8 | 0.4° | 0.5° |
| C11 | C5 | C4 | C6 | 177.8° | 179.8° |
| C11 | C5 | C4 | C2 | 128.3° | 84.7° |
| C11 | C5 | C6 | C7 | 2.3° | 0.2° |
| C11 | C5 | C4 | H8 | 7.5° | 35.2° |
| C11 | C5 | C4 | H9 | 111.0° | 155.3° |
| C11 | C5 | C6 | H10 | 177.7° | 179.8° |
| C5 | C11 | N3 | H13 | 135.9° | 57.2° |
| C10 | C8 | N1 | N2 | 0.2° | 0.0° |
| C10 | C8 | N1 | C7 | 179.1° | 180.0° |
| C10 | C8 | C7 | C6 | 0.2° | 0.1° |
| C10 | C8 | C7 | H11 | 179.8° | 180.0° |
| C8 | C10 | C9 | H12 | 179.1° | 179.9° |
| C28 | N2 | N1 | C8 | 179.9° | 179.9° |
| C28 | N2 | C9 | H12 | 0.5° | 0.0° |
| N2 | C28 | H14 | H15 | 120.0° | 120.0° |
| N2 | C28 | H14 | H16 | 120.0° | 120.0° |
| N2 | C28 | H15 | H16 | 120.0° | 120.0° |
| N2 | N1 | C8 | C7 | 179.3° | 180.0° |
| N1 | N2 | C9 | H12 | 179.1° | 179.9° |
| N1 | N2 | C28 | H14 | 0.0° | 90.0° |
| N1 | N2 | C28 | H15 | 120.0° | 30.0° |
| N1 | N2 | C28 | H16 | 120.0° | 149.9° |
| C5 | C4 | C2 | H8 | 120.7° | 120.0° |
| C5 | C4 | C2 | H9 | 120.7° | 120.0° |
| C5 | C4 | C2 | C1 | 166.7° | 65.0° |
| C4 | C5 | C6 | C7 | 179.9° | 180.0° |
| C5 | C4 | C2 | C3 | 46.5° | 175.0° |
| C5 | C4 | C2 | H4 | 75.1° | 55.0° |
| C5 | C4 | H8 | H9 | 117.7° | 120.0° |
| C4 | C5 | C6 | H10 | 0.1° | 0.0° |
| C2 | C4 | C5 | C6 | 54.0° | 95.0° |
| C4 | C2 | C1 | C3 | 124.3° | 120.0° |
| C4 | C2 | C1 | H4 | 118.3° | 120.0° |
| C4 | C2 | C3 | H4 | 121.7° | 120.0° |
| C4 | C2 | C1 | H1 | 180.0° | 180.0° |
| C4 | C2 | C1 | H2 | 60.0° | 60.0° |
| C4 | C2 | C1 | H3 | 60.0° | 60.0° |
| C4 | C2 | C3 | H5 | 180.0° | 60.0° |
| C4 | C2 | C3 | H6 | 60.0° | 60.0° |
| C4 | C2 | C3 | H7 | 60.0° | 180.0° |
| C2 | C4 | H8 | H9 | 117.7° | 120.0° |
| C5 | C6 | C7 | C8 | 1.1° | 0.1° |
| C5 | C6 | C7 | H10 | 180.0° | 180.0° |
| C6 | C5 | C4 | H8 | 174.7° | 145.0° |
| C6 | C5 | C4 | H9 | 66.8° | 24.9° |
| C5 | C6 | C7 | H11 | 178.9° | 180.0° |
| N1 | C8 | C7 | C6 | 179.2° | 179.9° |
| N1 | C8 | C7 | H11 | 0.8° | 0.0° |
| C8 | C7 | C6 | H11 | 180.0° | 179.9° |
| C8 | C7 | C6 | H10 | 178.9° | 179.9° |
| C1 | C2 | C3 | H4 | 117.3° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H5 | 58.9° | 60.0° |
| C1 | C2 | C3 | H6 | 178.9° | 180.0° |
| C1 | C2 | C3 | H7 | 61.0° | 60.0° |
| C1 | C2 | C4 | H8 | 46.0° | 175.0° |
| C1 | C2 | C4 | H9 | 72.5° | 55.0° |
| C3 | C2 | C1 | H1 | 55.7° | 60.0° |
| C3 | C2 | C1 | H2 | 64.3° | 180.0° |
| C3 | C2 | C1 | H3 | 175.7° | 60.0° |
| C2 | C3 | H5 | H6 | 120.0° | 119.9° |
| C2 | C3 | H5 | H7 | 120.0° | 120.0° |
| C2 | C3 | H6 | H7 | 120.0° | 120.0° |
| C3 | C2 | C4 | H8 | 74.2° | 55.0° |
| C3 | C2 | C4 | H9 | 167.3° | 65.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 61.7° | 60.0° |
| H2 | C1 | C2 | H4 | 178.3° | 60.0° |
| H3 | C1 | C2 | H4 | 58.3° | 180.0° |
| H4 | C2 | C3 | H5 | 58.3° | 180.0° |
| H4 | C2 | C3 | H6 | 61.7° | 60.0° |
| H4 | C2 | C3 | H7 | 178.3° | 60.0° |
| H4 | C2 | C4 | H8 | 164.2° | 65.0° |
| H4 | C2 | C4 | H9 | 45.6° | 175.0° |
| H5 | C3 | H6 | H7 | 120.0° | 120.1° |
| H10 | C6 | C7 | H11 | 1.1° | 0.0° |
| H14 | C28 | H15 | H16 | 120.0° | 120.0° |
| H17 | C13 | C14 | H18 | 1.1° | 0.0° |
| H19 | C16 | C17 | H20 | 0.6° | 0.3° |
| H21 | C18 | C19 | H23 | 100.6° | 180.0° |
| H21 | C18 | C19 | H24 | 139.0° | 60.0° |
| H22 | C18 | C19 | H23 | 17.0° | 59.9° |
| H22 | C18 | C19 | H24 | 103.4° | 179.9° |
| H23 | C19 | C20 | H25 | 85.6° | 180.0° |
| H23 | C19 | C20 | H26 | 155.4° | 60.0° |
| H24 | C19 | C20 | H25 | 34.8° | 60.0° |
| H24 | C19 | C20 | H26 | 84.3° | 179.9° |
| H25 | C20 | C21 | H27 | 166.8° | 180.0° |
| H25 | C20 | C21 | H28 | 73.5° | 60.0° |
| H26 | C20 | C21 | H27 | 47.7° | 59.9° |
| H26 | C20 | C21 | H28 | 167.4° | 179.9° |
| H27 | C21 | C22 | H29 | 179.0° | 65.1° |
| H28 | C21 | C22 | H29 | 61.3° | 174.9° |
| H29 | C22 | C23 | H30 | 179.3° | 57.6° |
| H29 | C22 | C23 | H31 | 60.1° | 177.8° |
| H29 | C22 | C27 | H40 | 168.6° | 177.8° |
| H29 | C22 | C27 | H41 | 50.5° | 57.7° |
| H30 | C23 | C24 | H32 | 47.3° | 59.1° |
| H30 | C23 | C24 | H33 | 166.7° | 60.8° |
| H31 | C23 | C24 | H32 | 71.9° | 179.2° |
| H31 | C23 | C24 | H33 | 47.5° | 59.2° |
| H35 | C25 | H36 | H37 | 120.0° | 119.9° |
| H38 | C26 | C27 | H40 | 146.1° | 179.2° |
| H38 | C26 | C27 | H41 | 28.0° | 59.1° |
| H39 | C26 | C27 | H40 | 27.5° | 59.2° |
| H39 | C26 | C27 | H41 | 90.6° | 60.9° |
