4CX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C23 | trip | 1.14Å | 1.14Å | |
| F2 | C26 | sing | 1.40Å | 1.33Å | |
| C23 | C21 | sing | 1.43Å | 1.43Å | |
| F1 | C26 | sing | 1.40Å | 1.33Å | |
| O2 | S | doub | 1.42Å | 1.51Å | |
| C26 | F3 | sing | 1.40Å | 1.33Å | |
| C26 | C24 | sing | 1.51Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C22 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | S | sing | 1.81Å | 1.83Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| S | O1 | doub | 1.42Å | 1.50Å | |
| S | C3 | sing | 1.76Å | 1.75Å | |
| C20 | C18 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.40Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | N1 | sing | 1.40Å | 1.35Å | |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | C8 | sing | 1.35Å | 1.34Å | |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C8 | O3 | doub | 1.21Å | 1.23Å | |
| C8 | C7 | sing | 1.51Å | 1.54Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C28 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C11 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C1 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C23 | C21 | 176.9° | 180.0° |
| F2 | C26 | F1 | 108.0° | 109.5° |
| F2 | C26 | F3 | 109.7° | 109.5° |
| F2 | C26 | C24 | 109.2° | 109.5° |
| C23 | C21 | C22 | 121.7° | 120.1° |
| C23 | C21 | C16 | 117.5° | 120.0° |
| F1 | C26 | F3 | 109.3° | 109.5° |
| F1 | C26 | C24 | 110.6° | 109.5° |
| O2 | S | C2 | 109.2° | 110.5° |
| O2 | S | O1 | 110.1° | 121.0° |
| O2 | S | C3 | 110.6° | 104.3° |
| F3 | C26 | C24 | 110.1° | 109.4° |
| C26 | C24 | C25 | 119.6° | 120.1° |
| C26 | C24 | C12 | 121.7° | 120.0° |
| C1 | C2 | S | 110.9° | 109.5° |
| C1 | C2 | H23 | 109.1° | 109.5° |
| C1 | C2 | H24 | 109.1° | 109.5° |
| C2 | C1 | H25 | 109.5° | 109.5° |
| C2 | C1 | H26 | 109.5° | 109.5° |
| C2 | C1 | H27 | 109.5° | 109.5° |
| C22 | C21 | C16 | 120.9° | 119.8° |
| C21 | C22 | C13 | 119.6° | 119.7° |
| C21 | C22 | H13 | 120.2° | 120.2° |
| C21 | C16 | C17 | 123.9° | 120.0° |
| C21 | C16 | C15 | 118.9° | 120.1° |
| C16 | C17 | C18 | 109.1° | 109.5° |
| C17 | C16 | C15 | 117.2° | 120.0° |
| C16 | C17 | H8 | 109.6° | 109.5° |
| C16 | C17 | H9 | 109.6° | 109.5° |
| C17 | C18 | C20 | 111.5° | 109.5° |
| C17 | C18 | C19 | 111.6° | 109.5° |
| C18 | C17 | H8 | 109.6° | 109.5° |
| C18 | C17 | H9 | 109.6° | 109.4° |
| C17 | C18 | H15 | 107.5° | 109.5° |
| C22 | C13 | C12 | 123.6° | 120.1° |
| C22 | C13 | C14 | 119.4° | 119.9° |
| C13 | C22 | H13 | 120.2° | 120.1° |
| C2 | S | O1 | 109.4° | 110.5° |
| C2 | S | C3 | 107.5° | 104.5° |
| S | C2 | H23 | 109.1° | 109.5° |
| S | C2 | H24 | 109.1° | 109.5° |
| C16 | C15 | C14 | 120.7° | 120.3° |
| C16 | C15 | H7 | 119.6° | 119.9° |
| O1 | S | C3 | 110.0° | 104.3° |
| S | C3 | C28 | 119.9° | 120.0° |
| S | C3 | C4 | 120.0° | 120.0° |
| C20 | C18 | C19 | 111.0° | 109.5° |
| C18 | C20 | H10 | 109.5° | 109.5° |
| C18 | C20 | H11 | 109.5° | 109.4° |
| C18 | C20 | H12 | 109.5° | 109.5° |
| C20 | C18 | H15 | 107.5° | 109.4° |
| C25 | C24 | C12 | 118.7° | 119.9° |
| C24 | C25 | C9 | 122.2° | 120.1° |
| C24 | C25 | H20 | 118.9° | 120.0° |
| C24 | C12 | C13 | 123.8° | 120.0° |
| C24 | C12 | C11 | 119.2° | 119.9° |
| C12 | C13 | C14 | 116.9° | 120.0° |
| C13 | C12 | C11 | 116.9° | 120.0° |
| C13 | C14 | C15 | 120.5° | 120.2° |
| C13 | C14 | H19 | 119.8° | 119.9° |
| C19 | C18 | H15 | 107.5° | 109.5° |
| C18 | C19 | H16 | 109.5° | 109.5° |
| C18 | C19 | H17 | 109.4° | 109.5° |
| C18 | C19 | H18 | 109.5° | 109.5° |
| C14 | C15 | H7 | 119.6° | 119.8° |
| C15 | C14 | H19 | 119.8° | 119.9° |
| C3 | C28 | C27 | 119.8° | 120.0° |
| C28 | C3 | C4 | 120.1° | 120.0° |
| C3 | C28 | H14 | 120.1° | 120.0° |
| C28 | C27 | C6 | 120.2° | 120.0° |
| C27 | C28 | H14 | 120.1° | 120.0° |
| C28 | C27 | H22 | 119.9° | 120.0° |
| C25 | C9 | N1 | 118.3° | 120.0° |
| C25 | C9 | C10 | 118.6° | 120.0° |
| C9 | C25 | H20 | 118.9° | 119.9° |
| C12 | C11 | C10 | 121.6° | 119.9° |
| C12 | C11 | H21 | 119.2° | 120.0° |
| C3 | C4 | C5 | 120.1° | 120.0° |
| C3 | C4 | H2 | 120.0° | 120.0° |
| C27 | C6 | C5 | 120.1° | 120.0° |
| C27 | C6 | C7 | 119.3° | 120.0° |
| C6 | C27 | H22 | 119.9° | 120.0° |
| N1 | C9 | C10 | 123.0° | 120.0° |
| C9 | N1 | C8 | 124.9° | 120.0° |
| C9 | N1 | H1 | 117.6° | 120.0° |
| C9 | C10 | C11 | 119.7° | 120.1° |
| C9 | C10 | H6 | 120.2° | 120.0° |
| C11 | C10 | H6 | 120.2° | 119.9° |
| C10 | C11 | H21 | 119.2° | 120.1° |
| C4 | C5 | C6 | 119.8° | 120.1° |
| C5 | C4 | H2 | 120.0° | 120.0° |
| C4 | C5 | H3 | 120.1° | 120.0° |
| N1 | C8 | O3 | 125.4° | 120.0° |
| N1 | C8 | C7 | 114.3° | 120.0° |
| C8 | N1 | H1 | 117.5° | 120.0° |
| C5 | C6 | C7 | 120.6° | 120.0° |
| C6 | C5 | H3 | 120.1° | 120.0° |
| C6 | C7 | C8 | 106.6° | 109.5° |
| C6 | C7 | H4 | 110.2° | 109.5° |
| C6 | C7 | H5 | 110.2° | 109.5° |
| O3 | C8 | C7 | 120.3° | 120.0° |
| C8 | C7 | H4 | 110.2° | 109.5° |
| C8 | C7 | H5 | 110.1° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.4° | 109.5° |
| H10 | C20 | H12 | 109.5° | 109.5° |
| H11 | C20 | H12 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.5° | 109.5° |
| H16 | C19 | H18 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H23 | C2 | H24 | 109.5° | 109.4° |
| H25 | C1 | H26 | 109.5° | 109.5° |
| H25 | C1 | H27 | 109.5° | 109.5° |
| H26 | C1 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C23 | C21 | C22 | 0.1° | 138.6° |
| N2 | C23 | C21 | C16 | 179.7° | 41.4° |
| F2 | C26 | F1 | F3 | 119.2° | 120.0° |
| F2 | C26 | F1 | C24 | 119.4° | 120.0° |
| F2 | C26 | F3 | C24 | 120.2° | 120.0° |
| F2 | C26 | C24 | C25 | 113.9° | 126.6° |
| F2 | C26 | C24 | C12 | 64.7° | 53.2° |
| C23 | C21 | C22 | C16 | 179.8° | 180.0° |
| C23 | C21 | C16 | C17 | 0.8° | 0.0° |
| C23 | C21 | C22 | C13 | 179.7° | 180.0° |
| C23 | C21 | C16 | C15 | 179.8° | 179.8° |
| C23 | C21 | C22 | H13 | 0.3° | 0.0° |
| F1 | C26 | F3 | C24 | 121.6° | 120.0° |
| F1 | C26 | C24 | C25 | 4.8° | 113.4° |
| F1 | C26 | C24 | C12 | 176.6° | 66.8° |
| O2 | S | C2 | C1 | 69.1° | 68.4° |
| O2 | S | C2 | O1 | 120.5° | 136.7° |
| O2 | S | C2 | C3 | 120.0° | 111.6° |
| O2 | S | O1 | C3 | 122.1° | 116.8° |
| O2 | S | C3 | C28 | 21.9° | 26.1° |
| O2 | S | C3 | C4 | 159.5° | 153.4° |
| O2 | S | C2 | H23 | 51.2° | 51.7° |
| O2 | S | C2 | H24 | 170.7° | 171.6° |
| F3 | C26 | C24 | C25 | 125.6° | 6.6° |
| F3 | C26 | C24 | C12 | 55.8° | 173.1° |
| C26 | C24 | C25 | C12 | 178.6° | 179.8° |
| C26 | C24 | C12 | C13 | 2.6° | 0.0° |
| C26 | C24 | C25 | C9 | 179.1° | 180.0° |
| C26 | C24 | C12 | C11 | 179.9° | 180.0° |
| C26 | C24 | C25 | H20 | 1.0° | 0.3° |
| C1 | C2 | S | H23 | 120.2° | 120.0° |
| C1 | C2 | S | H24 | 120.2° | 120.0° |
| C1 | C2 | S | O1 | 170.4° | 68.4° |
| C1 | C2 | S | C3 | 50.9° | 180.0° |
| C1 | C2 | H23 | H24 | 119.3° | 120.0° |
| C2 | C1 | H25 | H26 | 120.0° | 120.0° |
| C2 | C1 | H25 | H27 | 120.0° | 120.0° |
| C2 | C1 | H26 | H27 | 120.0° | 120.0° |
| C22 | C21 | C16 | C17 | 179.4° | 180.0° |
| C21 | C22 | C13 | H13 | 180.0° | 179.9° |
| C22 | C21 | C16 | C15 | 0.4° | 0.3° |
| C21 | C22 | C13 | C12 | 179.1° | 180.0° |
| C21 | C22 | C13 | C14 | 0.6° | 0.3° |
| C21 | C16 | C17 | C15 | 179.0° | 179.7° |
| C21 | C16 | C17 | C18 | 105.2° | 85.0° |
| C16 | C21 | C22 | C13 | 0.1° | 0.0° |
| C21 | C16 | C15 | C14 | 0.4° | 0.3° |
| C21 | C16 | C15 | H7 | 179.6° | 179.7° |
| C21 | C16 | C17 | H8 | 14.7° | 35.0° |
| C21 | C16 | C17 | H9 | 134.8° | 155.0° |
| C16 | C21 | C22 | H13 | 179.9° | 179.9° |
| C16 | C17 | C18 | H8 | 120.0° | 120.1° |
| C16 | C17 | C18 | H9 | 119.9° | 120.0° |
| C16 | C17 | C18 | C20 | 172.6° | 64.9° |
| C16 | C17 | C18 | C19 | 62.7° | 175.0° |
| C17 | C16 | C15 | C14 | 179.5° | 180.0° |
| C17 | C16 | C15 | H7 | 0.5° | 0.1° |
| C16 | C17 | H8 | H9 | 120.2° | 120.0° |
| C16 | C17 | C18 | H15 | 55.0° | 55.0° |
| C18 | C17 | C16 | C15 | 73.8° | 94.7° |
| C17 | C18 | C20 | C19 | 125.1° | 120.1° |
| C17 | C18 | C20 | H15 | 117.5° | 120.0° |
| C17 | C18 | C19 | H15 | 117.6° | 120.0° |
| C18 | C17 | H8 | H9 | 120.2° | 119.9° |
| C17 | C18 | C20 | H10 | 180.0° | 60.0° |
| C17 | C18 | C20 | H11 | 60.0° | 60.0° |
| C17 | C18 | C20 | H12 | 60.0° | 180.0° |
| C17 | C18 | C19 | H16 | 180.0° | 60.0° |
| C17 | C18 | C19 | H17 | 60.0° | 180.0° |
| C17 | C18 | C19 | H18 | 60.0° | 60.0° |
| C22 | C13 | C12 | C24 | 86.4° | 58.6° |
| C22 | C13 | C12 | C14 | 178.6° | 179.7° |
| C22 | C13 | C14 | C15 | 0.6° | 0.3° |
| C22 | C13 | C12 | C11 | 96.1° | 121.4° |
| C22 | C13 | C14 | H19 | 179.4° | 179.7° |
| C2 | S | O1 | C3 | 117.9° | 111.8° |
| C2 | S | C3 | C28 | 97.1° | 90.0° |
| C2 | S | C3 | C4 | 81.4° | 90.6° |
| S | C2 | H23 | H24 | 119.4° | 120.0° |
| S | C2 | C1 | H25 | 180.0° | 180.0° |
| S | C2 | C1 | H26 | 60.0° | 60.0° |
| S | C2 | C1 | H27 | 60.0° | 60.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C16 | C15 | C14 | H7 | 180.0° | 179.9° |
| C15 | C16 | C17 | H8 | 166.2° | 145.3° |
| C15 | C16 | C17 | H9 | 46.1° | 25.2° |
| C16 | C15 | C14 | H19 | 179.9° | 180.0° |
| O1 | S | C3 | C28 | 143.8° | 153.9° |
| O1 | S | C3 | C4 | 37.7° | 25.5° |
| O1 | S | C2 | H23 | 69.4° | 171.6° |
| O1 | S | C2 | H24 | 50.2° | 51.6° |
| S | C3 | C28 | C4 | 178.6° | 179.5° |
| S | C3 | C28 | C27 | 179.3° | 180.0° |
| S | C3 | C4 | C5 | 179.2° | 180.0° |
| S | C3 | C4 | H2 | 0.7° | 0.3° |
| S | C3 | C28 | H14 | 0.7° | 0.5° |
| C3 | S | C2 | H23 | 171.1° | 59.9° |
| C3 | S | C2 | H24 | 69.3° | 60.0° |
| C20 | C18 | C19 | H15 | 117.4° | 119.9° |
| C20 | C18 | C17 | H8 | 67.5° | 175.0° |
| C20 | C18 | C17 | H9 | 52.6° | 55.0° |
| C18 | C20 | H10 | H11 | 120.0° | 120.0° |
| C18 | C20 | H10 | H12 | 120.0° | 120.1° |
| C18 | C20 | H11 | H12 | 120.0° | 120.0° |
| C20 | C18 | C19 | H16 | 55.0° | 180.0° |
| C20 | C18 | C19 | H17 | 175.0° | 59.9° |
| C20 | C18 | C19 | H18 | 65.0° | 60.1° |
| C25 | C24 | C12 | C13 | 178.8° | 179.7° |
| C24 | C25 | C9 | H20 | 180.0° | 179.7° |
| C25 | C24 | C12 | C11 | 1.4° | 0.2° |
| C24 | C25 | C9 | N1 | 179.2° | 180.0° |
| C24 | C25 | C9 | C10 | 0.7° | 0.0° |
| C24 | C12 | C13 | C11 | 177.5° | 180.0° |
| C24 | C12 | C13 | C14 | 95.1° | 121.7° |
| C12 | C24 | C25 | C9 | 0.5° | 0.3° |
| C24 | C12 | C11 | C10 | 1.1° | 0.0° |
| C12 | C24 | C25 | H20 | 179.6° | 180.0° |
| C24 | C12 | C11 | H21 | 178.9° | 180.0° |
| C12 | C13 | C14 | C15 | 179.2° | 180.0° |
| C13 | C12 | C11 | C10 | 178.7° | 180.0° |
| C12 | C13 | C22 | H13 | 0.9° | 0.1° |
| C12 | C13 | C14 | H19 | 0.7° | 0.0° |
| C13 | C12 | C11 | H21 | 1.3° | 0.0° |
| C13 | C14 | C15 | H19 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 82.4° | 58.3° |
| C13 | C14 | C15 | H7 | 179.9° | 180.0° |
| C14 | C13 | C22 | H13 | 179.4° | 179.8° |
| C19 | C18 | C17 | H8 | 57.3° | 54.9° |
| C19 | C18 | C17 | H9 | 177.4° | 65.0° |
| C19 | C18 | C20 | H10 | 54.9° | 180.0° |
| C19 | C18 | C20 | H11 | 65.1° | 60.0° |
| C19 | C18 | C20 | H12 | 174.9° | 59.9° |
| C18 | C19 | H16 | H17 | 120.0° | 120.0° |
| C18 | C19 | H16 | H18 | 120.0° | 120.0° |
| C18 | C19 | H17 | H18 | 120.0° | 120.0° |
| C3 | C28 | C27 | H14 | 180.0° | 179.5° |
| C3 | C28 | C27 | C6 | 0.1° | 0.3° |
| C28 | C3 | C4 | C5 | 0.7° | 0.6° |
| C28 | C3 | C4 | H2 | 179.3° | 179.7° |
| C3 | C28 | C27 | H22 | 179.9° | 179.9° |
| C27 | C28 | C3 | C4 | 0.7° | 0.5° |
| C28 | C27 | C6 | H22 | 180.0° | 179.7° |
| C28 | C27 | C6 | C5 | 0.6° | 0.0° |
| C28 | C27 | C6 | C7 | 179.2° | 180.0° |
| C25 | C9 | N1 | C10 | 178.4° | 180.0° |
| C25 | C9 | C10 | C11 | 1.0° | 0.3° |
| C25 | C9 | N1 | C8 | 151.3° | 144.8° |
| C25 | C9 | N1 | H1 | 28.7° | 35.4° |
| C25 | C9 | C10 | H6 | 179.1° | 180.0° |
| C12 | C11 | C10 | C9 | 0.1° | 0.3° |
| C12 | C11 | C10 | H21 | 180.0° | 180.0° |
| C12 | C11 | C10 | H6 | 180.0° | 180.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.0° | 0.3° |
| C3 | C4 | C5 | H3 | 180.0° | 179.7° |
| C4 | C3 | C28 | H14 | 179.3° | 180.0° |
| C27 | C6 | C5 | C4 | 0.7° | 0.1° |
| C27 | C6 | C5 | C7 | 178.6° | 180.0° |
| C27 | C6 | C7 | C8 | 70.8° | 90.0° |
| C27 | C6 | C5 | H3 | 179.3° | 180.0° |
| C27 | C6 | C7 | H4 | 48.8° | 30.0° |
| C27 | C6 | C7 | H5 | 169.7° | 150.0° |
| C6 | C27 | C28 | H14 | 179.9° | 179.8° |
| N1 | C9 | C10 | C11 | 179.3° | 179.7° |
| C9 | N1 | C8 | H1 | 180.0° | 179.7° |
| C9 | N1 | C8 | O3 | 1.0° | 4.4° |
| C9 | N1 | C8 | C7 | 179.2° | 175.7° |
| N1 | C9 | C10 | H6 | 0.7° | 0.0° |
| N1 | C9 | C25 | H20 | 0.8° | 0.3° |
| C9 | C10 | C11 | H6 | 180.0° | 179.7° |
| C10 | C9 | N1 | C8 | 30.3° | 35.2° |
| C10 | C9 | N1 | H1 | 149.7° | 144.5° |
| C10 | C9 | C25 | H20 | 179.3° | 179.7° |
| C9 | C10 | C11 | H21 | 179.9° | 179.7° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 179.3° | 180.0° |
| N1 | C8 | C7 | C6 | 103.6° | 180.0° |
| N1 | C8 | O3 | C7 | 178.0° | 179.9° |
| N1 | C8 | C7 | H4 | 16.0° | 60.0° |
| N1 | C8 | C7 | H5 | 136.9° | 60.0° |
| C5 | C6 | C7 | C8 | 107.8° | 90.0° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | H4 | 132.6° | 150.0° |
| C5 | C6 | C7 | H5 | 11.7° | 30.0° |
| C5 | C6 | C27 | H22 | 179.4° | 179.7° |
| C6 | C7 | C8 | O3 | 74.7° | 0.1° |
| C6 | C7 | C8 | H4 | 119.6° | 120.0° |
| C6 | C7 | C8 | H5 | 119.5° | 120.0° |
| C7 | C6 | C5 | H3 | 0.7° | 0.0° |
| C6 | C7 | H4 | H5 | 121.3° | 120.0° |
| C7 | C6 | C27 | H22 | 0.7° | 0.3° |
| O3 | C8 | N1 | H1 | 178.9° | 175.4° |
| O3 | C8 | C7 | H4 | 165.8° | 120.0° |
| O3 | C8 | C7 | H5 | 44.9° | 120.1° |
| C7 | C8 | N1 | H1 | 0.8° | 4.6° |
| C8 | C7 | H4 | H5 | 121.3° | 120.0° |
| H2 | C4 | C5 | H3 | 0.0° | 0.0° |
| H6 | C10 | C11 | H21 | 0.1° | 0.1° |
| H7 | C15 | C14 | H19 | 0.1° | 0.1° |
| H8 | C17 | C18 | H15 | 174.9° | 65.1° |
| H9 | C17 | C18 | H15 | 65.0° | 175.0° |
| H10 | C20 | H11 | H12 | 120.0° | 120.0° |
| H10 | C20 | C18 | H15 | 62.5° | 60.0° |
| H11 | C20 | C18 | H15 | 177.6° | NaN° |
| H12 | C20 | C18 | H15 | 57.5° | 60.0° |
| H14 | C28 | C27 | H22 | 0.1° | 0.6° |
| H15 | C18 | C19 | H16 | 62.4° | 60.0° |
| H15 | C18 | C19 | H17 | 57.6° | 60.0° |
| H15 | C18 | C19 | H18 | 177.6° | 180.0° |
| H16 | C19 | H17 | H18 | 120.0° | 120.0° |
| H23 | C2 | C1 | H25 | 59.8° | 60.0° |
| H23 | C2 | C1 | H26 | 60.2° | 180.0° |
| H23 | C2 | C1 | H27 | 179.8° | 60.0° |
| H24 | C2 | C1 | H25 | 59.8° | 60.0° |
| H24 | C2 | C1 | H26 | 179.8° | 60.0° |
| H24 | C2 | C1 | H27 | 60.2° | 180.0° |
| H25 | C1 | H26 | H27 | 120.0° | 120.0° |
