V1S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C27 | trip | 1.14Å | 1.14Å | |
| O2 | C9 | doub | 1.21Å | 1.23Å | |
| O1 | C2 | sing | 1.43Å | 1.41Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.49Å | |
| C27 | C26 | sing | 1.43Å | 1.43Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | N | sing | 1.35Å | 1.34Å | |
| C10 | C12 | sing | 1.53Å | 1.51Å | |
| O | C2 | sing | 1.43Å | 1.41Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | N | sing | 1.46Å | 1.45Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C18 | sing | 1.51Å | 1.50Å | |
| C12 | C17 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C26 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | N3 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C18 | N2 | sing | 1.33Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| N3 | C19 | sing | 1.36Å | 1.33Å | Aromatic |
| C16 | N1 | sing | 1.47Å | 1.50Å | |
| N2 | C19 | doub | 1.32Å | 1.37Å | Aromatic |
| C19 | C20 | sing | 1.48Å | 1.48Å | |
| C14 | N1 | sing | 1.47Å | 1.50Å | |
| N1 | C15 | sing | 1.47Å | 1.49Å | |
| C20 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C25 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.36Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.37Å | Aromatic |
| C23 | F | sing | 1.35Å | 1.36Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C25 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| O1 | H18 | sing | 0.97Å | 0.95Å | |
| O | H19 | sing | 0.97Å | 0.95Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| N | H25 | sing | 0.97Å | 1.00Å | |
| C10 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C15 | H34 | sing | 1.09Å | 1.10Å | |
| C15 | H35 | sing | 1.09Å | 1.10Å | |
| C15 | H36 | sing | 1.09Å | 1.10Å | |
| C14 | H37 | sing | 1.09Å | 1.10Å | |
| C14 | H38 | sing | 1.09Å | 1.10Å | |
| C13 | H39 | sing | 1.09Å | 1.10Å | |
| C13 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C27 | C26 | 177.8° | 179.9° |
| O2 | C9 | C10 | 122.4° | 120.0° |
| O2 | C9 | N | 122.9° | 120.0° |
| O1 | C2 | O | 110.2° | 109.5° |
| O1 | C2 | C3 | 111.1° | 109.5° |
| O1 | C2 | C1 | 103.7° | 109.5° |
| C2 | O1 | H18 | 109.5° | 114.0° |
| C10 | C11 | C12 | 60.3° | 60.0° |
| C11 | C10 | C9 | 120.9° | 117.5° |
| C11 | C10 | C12 | 58.5° | 59.9° |
| C11 | C10 | H26 | 115.5° | 117.6° |
| C10 | C11 | H27 | 120.0° | 117.5° |
| C10 | C11 | H28 | 120.0° | 117.5° |
| C11 | C12 | C10 | 61.2° | 60.1° |
| C11 | C12 | C17 | 119.6° | 117.9° |
| C11 | C12 | C13 | 120.0° | 117.9° |
| C12 | C11 | H27 | 120.0° | 117.5° |
| C12 | C11 | H28 | 119.9° | 117.5° |
| C27 | C26 | C18 | 126.5° | 126.8° |
| C27 | C26 | N3 | 122.9° | 126.8° |
| C10 | C9 | N | 114.7° | 120.0° |
| C9 | C10 | C12 | 118.7° | 117.5° |
| C9 | C10 | H26 | 115.6° | 115.6° |
| C9 | N | C8 | 121.6° | 120.0° |
| C9 | N | H25 | 119.2° | 120.0° |
| C10 | C12 | C17 | 120.9° | 117.8° |
| C10 | C12 | C13 | 119.6° | 117.8° |
| C12 | C10 | H26 | 115.7° | 117.5° |
| O | C2 | C3 | 109.7° | 109.4° |
| O | C2 | C1 | 110.4° | 109.5° |
| C2 | O | H19 | 109.5° | 114.0° |
| C5 | C4 | C3 | 110.4° | 109.5° |
| C4 | C5 | C6 | 117.5° | 109.5° |
| C4 | C5 | H12 | 107.5° | 109.5° |
| C4 | C5 | H13 | 107.4° | 109.5° |
| C5 | C4 | H14 | 109.2° | 109.5° |
| C5 | C4 | H15 | 109.2° | 109.5° |
| C4 | C3 | C2 | 116.1° | 109.5° |
| C3 | C4 | H14 | 109.2° | 109.5° |
| C3 | C4 | H15 | 109.3° | 109.5° |
| C4 | C3 | H16 | 107.8° | 109.5° |
| C4 | C3 | H17 | 107.8° | 109.5° |
| C3 | C2 | C1 | 111.6° | 109.5° |
| C2 | C3 | H16 | 107.8° | 109.5° |
| C2 | C3 | H17 | 107.8° | 109.5° |
| C2 | C1 | C | 114.6° | 109.5° |
| C2 | C1 | H20 | 108.2° | 109.5° |
| C2 | C1 | H21 | 108.2° | 109.5° |
| C5 | C6 | C7 | 113.0° | 109.5° |
| C5 | C6 | H10 | 108.6° | 109.4° |
| C5 | C6 | H11 | 108.6° | 109.5° |
| C6 | C5 | H12 | 107.4° | 109.5° |
| C6 | C5 | H13 | 107.4° | 109.5° |
| C6 | C7 | C8 | 116.2° | 109.5° |
| C6 | C7 | H8 | 107.7° | 109.5° |
| C6 | C7 | H9 | 107.8° | 109.5° |
| C7 | C6 | H10 | 108.5° | 109.5° |
| C7 | C6 | H11 | 108.6° | 109.5° |
| N | C8 | C7 | 110.8° | 109.4° |
| N | C8 | C18 | 107.9° | 109.5° |
| N | C8 | H7 | 109.7° | 109.5° |
| C8 | N | H25 | 119.2° | 120.1° |
| C7 | C8 | C18 | 110.8° | 109.4° |
| C7 | C8 | H7 | 108.6° | 109.5° |
| C8 | C7 | H8 | 107.8° | 109.5° |
| C8 | C7 | H9 | 107.8° | 109.5° |
| C8 | C18 | C26 | 128.7° | 126.0° |
| C8 | C18 | N2 | 126.0° | 126.0° |
| C18 | C8 | H7 | 109.1° | 109.5° |
| C17 | C12 | C13 | 108.9° | 114.7° |
| C12 | C17 | C16 | 111.9° | 108.6° |
| C12 | C17 | H29 | 108.9° | 109.6° |
| C12 | C17 | H30 | 108.9° | 109.6° |
| C12 | C13 | C14 | 111.4° | 108.6° |
| C12 | C13 | H39 | 109.0° | 109.6° |
| C12 | C13 | H40 | 109.0° | 109.6° |
| C17 | C16 | N1 | 111.7° | 109.4° |
| C16 | C17 | H29 | 108.9° | 109.6° |
| C16 | C17 | H30 | 108.9° | 109.6° |
| C17 | C16 | H31 | 108.9° | 109.5° |
| C17 | C16 | H32 | 108.9° | 109.5° |
| C18 | C26 | N3 | 110.6° | 106.3° |
| C26 | C18 | N2 | 105.2° | 108.0° |
| C26 | N3 | C19 | 105.7° | 106.9° |
| C26 | N3 | H1 | 127.1° | 126.6° |
| C | C1 | H20 | 108.2° | 109.5° |
| C | C1 | H21 | 108.2° | 109.5° |
| C1 | C | H22 | 109.5° | 109.5° |
| C1 | C | H23 | 109.5° | 109.5° |
| C1 | C | H24 | 109.5° | 109.5° |
| C18 | N2 | C19 | 107.7° | 109.8° |
| C13 | C14 | N1 | 111.7° | 109.4° |
| C13 | C14 | H37 | 108.9° | 109.5° |
| C13 | C14 | H38 | 108.9° | 109.4° |
| C14 | C13 | H39 | 109.0° | 109.6° |
| C14 | C13 | H40 | 109.0° | 109.6° |
| N3 | C19 | N2 | 110.8° | 108.9° |
| N3 | C19 | C20 | 125.0° | 125.5° |
| C19 | N3 | H1 | 127.2° | 126.5° |
| C16 | N1 | C14 | 110.8° | 111.6° |
| C16 | N1 | C15 | 111.2° | 111.0° |
| N1 | C16 | H31 | 108.9° | 109.5° |
| N1 | C16 | H32 | 108.9° | 109.4° |
| N2 | C19 | C20 | 124.1° | 125.5° |
| C19 | C20 | C21 | 120.7° | 120.2° |
| C19 | C20 | C25 | 120.6° | 120.1° |
| C14 | N1 | C15 | 111.4° | 111.0° |
| N1 | C14 | H37 | 108.9° | 109.5° |
| N1 | C14 | H38 | 108.9° | 109.5° |
| N1 | C15 | H34 | 109.5° | 109.5° |
| N1 | C15 | H35 | 109.5° | 109.5° |
| N1 | C15 | H36 | 109.5° | 109.5° |
| C21 | C20 | C25 | 118.7° | 119.7° |
| C20 | C21 | C22 | 120.9° | 119.9° |
| C20 | C21 | H5 | 119.5° | 120.0° |
| C20 | C25 | C24 | 120.8° | 119.9° |
| C20 | C25 | H2 | 119.6° | 120.1° |
| C21 | C22 | C23 | 118.3° | 120.1° |
| C21 | C22 | H4 | 120.9° | 120.0° |
| C22 | C21 | H5 | 119.6° | 120.1° |
| C25 | C24 | C23 | 118.3° | 120.1° |
| C24 | C25 | H2 | 119.6° | 120.0° |
| C25 | C24 | H3 | 120.8° | 120.0° |
| C22 | C23 | C24 | 123.0° | 120.3° |
| C22 | C23 | F | 118.5° | 119.8° |
| C23 | C22 | H4 | 120.8° | 119.9° |
| C24 | C23 | F | 118.5° | 119.9° |
| C23 | C24 | H3 | 120.9° | 119.9° |
| H8 | C7 | H9 | 109.5° | 109.4° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H12 | C5 | H13 | 109.5° | 109.4° |
| H14 | C4 | H15 | 109.5° | 109.5° |
| H16 | C3 | H17 | 109.5° | 109.5° |
| H20 | C1 | H21 | 109.4° | 109.5° |
| H22 | C | H23 | 109.5° | 109.5° |
| H22 | C | H24 | 109.4° | 109.5° |
| H23 | C | H24 | 109.5° | 109.5° |
| H27 | C11 | H28 | 109.5° | 115.5° |
| H29 | C17 | H30 | 109.5° | 109.7° |
| H31 | C16 | H32 | 109.5° | 109.5° |
| H34 | C15 | H35 | 109.5° | 109.5° |
| H34 | C15 | H36 | 109.5° | 109.5° |
| H35 | C15 | H36 | 109.4° | 109.4° |
| H37 | C14 | H38 | 109.5° | 109.5° |
| H39 | C13 | H40 | 109.4° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C27 | C26 | C18 | 26.5° | 141.7° |
| N4 | C27 | C26 | N3 | 149.6° | 38.7° |
| O2 | C9 | C10 | C11 | 3.2° | 20.6° |
| O2 | C9 | C10 | N | 179.3° | 179.9° |
| O2 | C9 | C10 | C12 | 65.3° | 89.0° |
| O2 | C9 | N | C8 | 1.1° | 0.0° |
| O2 | C9 | N | H25 | 178.9° | 180.0° |
| O2 | C9 | C10 | H26 | 150.6° | 125.3° |
| O1 | C2 | O | C3 | 122.6° | 120.0° |
| O1 | C2 | O | C1 | 114.0° | 120.0° |
| O1 | C2 | C3 | C4 | 65.2° | 60.0° |
| O1 | C2 | C3 | C1 | 115.2° | 120.0° |
| O1 | C2 | C1 | C | 176.1° | 60.0° |
| O1 | C2 | C3 | H16 | 55.8° | 180.0° |
| O1 | C2 | C3 | H17 | 173.9° | 60.0° |
| O1 | C2 | O | H19 | 180.0° | 180.0° |
| O1 | C2 | C1 | H20 | 63.2° | 180.0° |
| O1 | C2 | C1 | H21 | 55.3° | 60.0° |
| C10 | C11 | C12 | H27 | 109.6° | 107.5° |
| C10 | C11 | C12 | H28 | 109.6° | 107.5° |
| C11 | C10 | C9 | C12 | 68.5° | 68.5° |
| C11 | C10 | C9 | H26 | 147.3° | 145.8° |
| C11 | C10 | C9 | N | 177.5° | 159.5° |
| C11 | C10 | C12 | H26 | 105.4° | 107.5° |
| C10 | C11 | C12 | C17 | 111.2° | 107.7° |
| C10 | C11 | C12 | C13 | 109.4° | 107.7° |
| C10 | C11 | H27 | H28 | 144.6° | 145.7° |
| C11 | C12 | C17 | C13 | 143.4° | 145.7° |
| C11 | C12 | C17 | C16 | 161.4° | 162.9° |
| C11 | C12 | C13 | C14 | 161.4° | 163.0° |
| C12 | C11 | H27 | H28 | 144.6° | 145.7° |
| C11 | C12 | C17 | H29 | 78.3° | 77.3° |
| C11 | C12 | C17 | H30 | 41.0° | 43.2° |
| C11 | C12 | C13 | H39 | 41.1° | 43.2° |
| C11 | C12 | C13 | H40 | 78.3° | 77.3° |
| C27 | C26 | C18 | C8 | 2.1° | 0.1° |
| C27 | C26 | C18 | N3 | 176.5° | 179.7° |
| C27 | C26 | C18 | N2 | 176.1° | 179.9° |
| C27 | C26 | N3 | C19 | 176.3° | 180.0° |
| C27 | C26 | N3 | H1 | 3.7° | 0.2° |
| C9 | C10 | C12 | H26 | 144.1° | 145.0° |
| C10 | C9 | N | C8 | 178.2° | 180.0° |
| C9 | C10 | C12 | C17 | 1.4° | 0.4° |
| C9 | C10 | C12 | C13 | 139.3° | 144.7° |
| C10 | C9 | N | H25 | 1.7° | 0.1° |
| C9 | C10 | C11 | H27 | 143.6° | 145.0° |
| C9 | C10 | C11 | H28 | 2.7° | 0.1° |
| N | C9 | C10 | C12 | 114.0° | 91.0° |
| C9 | N | C8 | H25 | 180.0° | 179.9° |
| C9 | N | C8 | C7 | 148.2° | 155.0° |
| C9 | N | C8 | C18 | 90.4° | 85.0° |
| C9 | N | C8 | H7 | 28.3° | 35.0° |
| N | C9 | C10 | H26 | 30.1° | 54.6° |
| C10 | C12 | C17 | C13 | 144.4° | 145.3° |
| C10 | C12 | C17 | C16 | 89.2° | 94.0° |
| C10 | C12 | C13 | C14 | 89.6° | 94.0° |
| C10 | C12 | C17 | H29 | 150.5° | 146.3° |
| C10 | C12 | C17 | H30 | 31.2° | 25.8° |
| C10 | C12 | C13 | H39 | 30.7° | 25.8° |
| C10 | C12 | C13 | H40 | 150.1° | 146.3° |
| O | C2 | C3 | C4 | 57.0° | 60.0° |
| O | C2 | C3 | C1 | 122.6° | 120.0° |
| O | C2 | C1 | C | 65.9° | 60.0° |
| O | C2 | C3 | H16 | 177.9° | 60.0° |
| O | C2 | C3 | H17 | 64.0° | 180.0° |
| O | C2 | O1 | H18 | 180.0° | 180.0° |
| O | C2 | C1 | H20 | 54.9° | 60.0° |
| O | C2 | C1 | H21 | 173.4° | 180.0° |
| C5 | C4 | C3 | H14 | 120.1° | 120.0° |
| C5 | C4 | C3 | H15 | 120.1° | 120.0° |
| C5 | C4 | C3 | C2 | 164.1° | NaN° |
| C4 | C5 | C6 | H12 | 121.2° | 120.0° |
| C4 | C5 | C6 | H13 | 121.1° | 120.0° |
| C4 | C5 | C6 | C7 | 175.3° | 180.0° |
| C4 | C5 | C6 | H10 | 54.8° | 60.0° |
| C4 | C5 | C6 | H11 | 64.1° | 60.0° |
| C4 | C5 | H12 | H13 | 116.4° | 120.0° |
| C5 | C4 | H14 | H15 | 119.6° | 120.0° |
| C5 | C4 | C3 | H16 | 43.1° | 60.0° |
| C5 | C4 | C3 | H17 | 75.0° | 60.0° |
| C4 | C3 | C2 | H16 | 121.0° | 120.0° |
| C4 | C3 | C2 | H17 | 121.0° | 120.0° |
| C4 | C3 | C2 | C1 | 179.6° | NaN° |
| C3 | C4 | C5 | C6 | 170.7° | 180.0° |
| C3 | C4 | C5 | H12 | 49.5° | 60.0° |
| C3 | C4 | C5 | H13 | 68.2° | 60.0° |
| C3 | C4 | H14 | H15 | 119.6° | 120.0° |
| C4 | C3 | H16 | H17 | 117.0° | 120.0° |
| C3 | C2 | C1 | C | 56.4° | 180.0° |
| C2 | C3 | C4 | H14 | 75.8° | 60.0° |
| C2 | C3 | C4 | H15 | 43.9° | 60.0° |
| C2 | C3 | H16 | H17 | 117.0° | 120.0° |
| C3 | C2 | O1 | H18 | 58.2° | 60.0° |
| C3 | C2 | O | H19 | 57.4° | 60.0° |
| C3 | C2 | C1 | H20 | 177.2° | 60.0° |
| C3 | C2 | C1 | H21 | 64.4° | 60.0° |
| C2 | C1 | C | H20 | 120.8° | 120.0° |
| C2 | C1 | C | H21 | 120.8° | 120.0° |
| C1 | C2 | C3 | H16 | 59.4° | 60.0° |
| C1 | C2 | C3 | H17 | 58.6° | 60.0° |
| C1 | C2 | O1 | H18 | 61.9° | 60.0° |
| C1 | C2 | O | H19 | 66.0° | 60.0° |
| C2 | C1 | H20 | H21 | 117.7° | 120.0° |
| C2 | C1 | C | H22 | 180.0° | 60.0° |
| C2 | C1 | C | H23 | 60.0° | 60.0° |
| C2 | C1 | C | H24 | 60.0° | 180.0° |
| C5 | C6 | C7 | H10 | 120.5° | 119.9° |
| C5 | C6 | C7 | H11 | 120.5° | 120.0° |
| C5 | C6 | C7 | C8 | 177.8° | 180.0° |
| C5 | C6 | C7 | H8 | 61.3° | 60.0° |
| C5 | C6 | C7 | H9 | 56.8° | 60.0° |
| C5 | C6 | H10 | H11 | 118.4° | 120.0° |
| C6 | C5 | H12 | H13 | 116.3° | 120.0° |
| C6 | C5 | C4 | H14 | 50.6° | 60.0° |
| C6 | C5 | C4 | H15 | 69.1° | 60.0° |
| C6 | C7 | C8 | N | 163.6° | 65.0° |
| C6 | C7 | C8 | H8 | 121.0° | 120.0° |
| C6 | C7 | C8 | H9 | 121.0° | 120.0° |
| C6 | C7 | C8 | C18 | 76.7° | 175.0° |
| C6 | C7 | C8 | H7 | 43.0° | 55.0° |
| C6 | C7 | H8 | H9 | 116.9° | 120.0° |
| C7 | C6 | H10 | H11 | 118.4° | 120.0° |
| C7 | C6 | C5 | H12 | 63.5° | 60.0° |
| C7 | C6 | C5 | H13 | 54.2° | 60.0° |
| N | C8 | C7 | C18 | 119.7° | 120.0° |
| N | C8 | C7 | H7 | 120.5° | 120.0° |
| N | C8 | C18 | H7 | 119.1° | 120.1° |
| N | C8 | C18 | C26 | 133.6° | 135.0° |
| N | C8 | C18 | N2 | 48.5° | 44.8° |
| N | C8 | C7 | H8 | 75.5° | 55.0° |
| N | C8 | C7 | H9 | 42.6° | 175.0° |
| C7 | C8 | C18 | H7 | 119.4° | 120.0° |
| C7 | C8 | C18 | C26 | 104.9° | 105.0° |
| C7 | C8 | C18 | N2 | 72.9° | 75.2° |
| C8 | C7 | H8 | H9 | 117.0° | 120.0° |
| C8 | C7 | C6 | H10 | 57.2° | 60.1° |
| C8 | C7 | C6 | H11 | 61.7° | 60.0° |
| C7 | C8 | N | H25 | 31.8° | 25.0° |
| C8 | C18 | C26 | N2 | 178.2° | 179.8° |
| C8 | C18 | C26 | N3 | 178.6° | 179.8° |
| C8 | C18 | N2 | C19 | 178.5° | 179.8° |
| C18 | C8 | C7 | H8 | 44.3° | 65.0° |
| C18 | C8 | C7 | H9 | 162.3° | 55.0° |
| C18 | C8 | N | H25 | 89.6° | 94.9° |
| C12 | C17 | C16 | H29 | 120.4° | 119.7° |
| C12 | C17 | C16 | H30 | 120.4° | 119.8° |
| C17 | C12 | C13 | C14 | 55.3° | 51.4° |
| C12 | C17 | C16 | N1 | 56.3° | 55.6° |
| C17 | C12 | C10 | H26 | 145.5° | 144.6° |
| C17 | C12 | C11 | H27 | 139.2° | 144.8° |
| C17 | C12 | C11 | H28 | 1.6° | 0.2° |
| C12 | C17 | H29 | H30 | 118.9° | 120.4° |
| C12 | C17 | C16 | H31 | 176.7° | 175.6° |
| C12 | C17 | C16 | H32 | 64.0° | 64.4° |
| C17 | C12 | C13 | H39 | 175.6° | 171.1° |
| C17 | C12 | C13 | H40 | 65.0° | 68.3° |
| C13 | C12 | C17 | C16 | 55.2° | 51.4° |
| C12 | C13 | C14 | H39 | 120.3° | 119.8° |
| C12 | C13 | C14 | H40 | 120.3° | 119.7° |
| C12 | C13 | C14 | N1 | 56.8° | 55.6° |
| C13 | C12 | C10 | H26 | 4.8° | 0.3° |
| C13 | C12 | C11 | H27 | 0.1° | 0.2° |
| C13 | C12 | C11 | H28 | 141.0° | 144.8° |
| C13 | C12 | C17 | H29 | 65.2° | 68.3° |
| C13 | C12 | C17 | H30 | 175.6° | 171.2° |
| C12 | C13 | C14 | H37 | 63.5° | 175.6° |
| C12 | C13 | C14 | H38 | 177.1° | 64.4° |
| C12 | C13 | H39 | H40 | 119.1° | 120.5° |
| C17 | C16 | N1 | H31 | 120.3° | 120.0° |
| C17 | C16 | N1 | H32 | 120.3° | 120.0° |
| C17 | C16 | N1 | C14 | 55.6° | 64.8° |
| C17 | C16 | N1 | C15 | 180.0° | 170.8° |
| C16 | C17 | H29 | H30 | 118.9° | 120.4° |
| C17 | C16 | H31 | H32 | 119.0° | 120.1° |
| C18 | C26 | N3 | C19 | 0.4° | 0.3° |
| C26 | C18 | N2 | C19 | 0.2° | 0.4° |
| C18 | C26 | N3 | H1 | 179.6° | 179.9° |
| C26 | C18 | C8 | H7 | 14.5° | 14.9° |
| N3 | C26 | C18 | N2 | 0.3° | 0.4° |
| C26 | N3 | C19 | H1 | 180.0° | 179.9° |
| C26 | N3 | C19 | N2 | 0.3° | 0.0° |
| C26 | N3 | C19 | C20 | 179.7° | 180.0° |
| C | C1 | H20 | H21 | 117.6° | 120.0° |
| C1 | C | H22 | H23 | 120.0° | 120.0° |
| C1 | C | H22 | H24 | 120.0° | 120.0° |
| C1 | C | H23 | H24 | 120.0° | 120.0° |
| C18 | N2 | C19 | N3 | 0.1° | 0.2° |
| C18 | N2 | C19 | C20 | 179.5° | 179.7° |
| N2 | C18 | C8 | H7 | 167.6° | 164.8° |
| C13 | C14 | N1 | C16 | 56.0° | 64.8° |
| C13 | C14 | N1 | H37 | 120.3° | 120.0° |
| C13 | C14 | N1 | H38 | 120.4° | 119.9° |
| C13 | C14 | N1 | C15 | 179.7° | 170.8° |
| C13 | C14 | H37 | H38 | 119.0° | 120.0° |
| C14 | C13 | H39 | H40 | 119.1° | 120.4° |
| N3 | C19 | N2 | C20 | 179.4° | 179.9° |
| N3 | C19 | C20 | C21 | 15.0° | 180.0° |
| N3 | C19 | C20 | C25 | 165.0° | 0.2° |
| C16 | N1 | C14 | C15 | 124.3° | 124.4° |
| N1 | C16 | C17 | H29 | 64.0° | 64.2° |
| N1 | C16 | C17 | H30 | 176.7° | 175.3° |
| N1 | C16 | H31 | H32 | 119.0° | 120.0° |
| C16 | N1 | C15 | H34 | 180.0° | 60.0° |
| C16 | N1 | C15 | H35 | 60.0° | 180.0° |
| C16 | N1 | C15 | H36 | 60.0° | 60.0° |
| C16 | N1 | C14 | H37 | 64.3° | 175.2° |
| C16 | N1 | C14 | H38 | 176.4° | 55.1° |
| N2 | C19 | C20 | C21 | 164.3° | 0.1° |
| N2 | C19 | C20 | C25 | 15.7° | 179.7° |
| N2 | C19 | N3 | H1 | 179.7° | 179.9° |
| C19 | C20 | C21 | C25 | 180.0° | 179.8° |
| C19 | C20 | C21 | C22 | 179.6° | 179.7° |
| C19 | C20 | C25 | C24 | 179.5° | 180.0° |
| C20 | C19 | N3 | H1 | 0.4° | 0.2° |
| C19 | C20 | C25 | H2 | 0.5° | 0.0° |
| C19 | C20 | C21 | H5 | 0.4° | 0.0° |
| C14 | N1 | C16 | H31 | 175.9° | 175.2° |
| C14 | N1 | C16 | H32 | 64.7° | 55.2° |
| C14 | N1 | C15 | H34 | 55.9° | 64.7° |
| C14 | N1 | C15 | H35 | 175.9° | 55.3° |
| C14 | N1 | C15 | H36 | 64.1° | 175.3° |
| N1 | C14 | H37 | H38 | 118.9° | 120.1° |
| N1 | C14 | C13 | H39 | 177.1° | 175.3° |
| N1 | C14 | C13 | H40 | 63.5° | 64.2° |
| C15 | N1 | C16 | H31 | 59.7° | 50.8° |
| C15 | N1 | C16 | H32 | 59.7° | 69.2° |
| N1 | C15 | H34 | H35 | 120.0° | 120.0° |
| N1 | C15 | H34 | H36 | 120.0° | 120.0° |
| N1 | C15 | H35 | H36 | 120.0° | 120.0° |
| C15 | N1 | C14 | H37 | 60.0° | 50.8° |
| C15 | N1 | C14 | H38 | 59.3° | 69.2° |
| C20 | C21 | C22 | H5 | 180.0° | 179.7° |
| C21 | C20 | C25 | C24 | 0.5° | 0.2° |
| C20 | C21 | C22 | C23 | 0.2° | 0.5° |
| C21 | C20 | C25 | H2 | 179.5° | 179.8° |
| C20 | C21 | C22 | H4 | 179.8° | 179.8° |
| C25 | C20 | C21 | C22 | 0.3° | 0.5° |
| C20 | C25 | C24 | H2 | 180.0° | 179.9° |
| C20 | C25 | C24 | C23 | 0.1° | 0.0° |
| C20 | C25 | C24 | H3 | 179.8° | 180.0° |
| C25 | C20 | C21 | H5 | 179.7° | 179.8° |
| C21 | C22 | C23 | H4 | 180.0° | 179.7° |
| C21 | C22 | C23 | C24 | 0.6° | 0.3° |
| C21 | C22 | C23 | F | 179.1° | 179.7° |
| C25 | C24 | C23 | C22 | 0.4° | 0.0° |
| C25 | C24 | C23 | H3 | 180.0° | 180.0° |
| C25 | C24 | C23 | F | 179.3° | 180.0° |
| C22 | C23 | C24 | F | 179.7° | 180.0° |
| C22 | C23 | C24 | H3 | 179.6° | 179.9° |
| C23 | C22 | C21 | H5 | 179.8° | 179.7° |
| C23 | C24 | C25 | H2 | 179.9° | 179.9° |
| C24 | C23 | C22 | H4 | 179.4° | 180.0° |
| F | C23 | C24 | H3 | 0.7° | 0.0° |
| F | C23 | C22 | H4 | 0.9° | 0.0° |
| H2 | C25 | C24 | H3 | 0.2° | 0.0° |
| H4 | C22 | C21 | H5 | 0.2° | 0.0° |
| H7 | C8 | C7 | H8 | 164.0° | 175.0° |
| H7 | C8 | C7 | H9 | 77.9° | 65.0° |
| H7 | C8 | N | H25 | 151.7° | 145.0° |
| H8 | C7 | C6 | H10 | 178.2° | 179.9° |
| H8 | C7 | C6 | H11 | 59.3° | 60.0° |
| H9 | C7 | C6 | H10 | 63.7° | 60.0° |
| H9 | C7 | C6 | H11 | 177.3° | 180.0° |
| H10 | C6 | C5 | H12 | 176.0° | 180.0° |
| H10 | C6 | C5 | H13 | 66.3° | 60.0° |
| H11 | C6 | C5 | H12 | 57.1° | 60.0° |
| H11 | C6 | C5 | H13 | 174.7° | 180.0° |
| H12 | C5 | C4 | H14 | 70.6° | 180.0° |
| H12 | C5 | C4 | H15 | 169.7° | 60.0° |
| H13 | C5 | C4 | H14 | 171.7° | 60.0° |
| H13 | C5 | C4 | H15 | 52.0° | 180.0° |
| H14 | C4 | C3 | H16 | 163.2° | 180.0° |
| H14 | C4 | C3 | H17 | 45.1° | 60.0° |
| H15 | C4 | C3 | H16 | 77.1° | 60.0° |
| H15 | C4 | C3 | H17 | 164.9° | 180.0° |
| H20 | C1 | C | H22 | 59.2° | 180.0° |
| H20 | C1 | C | H23 | 179.2° | 60.0° |
| H20 | C1 | C | H24 | 60.8° | 60.0° |
| H21 | C1 | C | H22 | 59.2° | 60.0° |
| H21 | C1 | C | H23 | 60.8° | NaN° |
| H21 | C1 | C | H24 | 179.2° | 60.0° |
| H22 | C | H23 | H24 | 120.0° | 120.0° |
| H26 | C10 | C11 | H27 | 3.8° | 0.1° |
| H26 | C10 | C11 | H28 | 144.7° | 145.1° |
| H29 | C17 | C16 | H31 | 56.3° | 55.8° |
| H29 | C17 | C16 | H32 | 175.6° | 175.8° |
| H30 | C17 | C16 | H31 | 63.0° | 64.7° |
| H30 | C17 | C16 | H32 | 56.4° | 55.4° |
| H34 | C15 | H35 | H36 | 120.0° | 120.0° |
| H37 | C14 | C13 | H39 | 56.8° | 64.7° |
| H37 | C14 | C13 | H40 | 176.2° | 55.8° |
| H38 | C14 | C13 | H39 | 62.6° | 55.3° |
| H38 | C14 | C13 | H40 | 56.8° | 175.8° |
