A1JSR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.43Å | |
| O | C1 | sing | 1.43Å | 1.40Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C2 | N | sing | 1.47Å | 1.47Å | |
| N | C3 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C7 | sing | 1.33Å | 1.34Å | Aromatic |
| C8 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C4 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C9 | sing | 1.48Å | 1.46Å | |
| C9 | C10 | doub | 1.33Å | 1.36Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.42Å | Aromatic |
| C11 | N2 | doub | 1.35Å | 1.35Å | Aromatic |
| N2 | C12 | sing | 1.31Å | 1.35Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | O1 | sing | 1.36Å | 1.39Å | |
| O1 | C15 | sing | 1.36Å | 1.39Å | |
| C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| N3 | C18 | sing | 1.40Å | 1.41Å | |
| C19 | N3 | sing | 1.35Å | 1.34Å | |
| S | C19 | doub | 1.71Å | 1.68Å | |
| N4 | C19 | sing | 1.35Å | 1.38Å | |
| C20 | N4 | sing | 1.35Å | 1.37Å | |
| O2 | C20 | doub | 1.21Å | 1.23Å | |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.35Å | Aromatic |
| F | C25 | sing | 1.35Å | 1.37Å | |
| C25 | C26 | sing | 1.38Å | 1.37Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C29 | sing | 1.39Å | 1.37Å | Aromatic |
| C29 | F1 | sing | 1.35Å | 1.36Å | |
| C30 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C30 | sing | 1.40Å | 1.39Å | Aromatic |
| S1 | C30 | sing | 1.76Å | 1.72Å | Aromatic |
| C9 | S1 | sing | 1.75Å | 1.75Å | Aromatic |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | H26 | sing | 1.08Å | 1.08Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| N4 | H19 | sing | 0.97Å | 1.00Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| N | H27 | sing | 1.01Å | 1.00Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 112.2° | 114.0° |
| O | C | H | 109.5° | 109.5° |
| O | C | H1 | 109.5° | 109.5° |
| O | C | H2 | 109.5° | 109.4° |
| O | C1 | C2 | 108.0° | 109.5° |
| O | C1 | H3 | 109.8° | 109.5° |
| O | C1 | H4 | 109.8° | 109.4° |
| C1 | C2 | N | 111.3° | 109.5° |
| C2 | C1 | H3 | 109.8° | 109.5° |
| C2 | C1 | H4 | 109.8° | 109.4° |
| C1 | C2 | H5 | 109.0° | 109.5° |
| C1 | C2 | H6 | 109.0° | 109.4° |
| C2 | N | C3 | 113.0° | 111.0° |
| N | C2 | H5 | 109.0° | 109.5° |
| N | C2 | H6 | 109.0° | 109.5° |
| C2 | N | H27 | 108.6° | 111.0° |
| N | C3 | C4 | 113.0° | 109.5° |
| N | C3 | H8 | 108.6° | 109.5° |
| N | C3 | H9 | 108.6° | 109.5° |
| C3 | N | H27 | 108.6° | 111.0° |
| C3 | C4 | C5 | 121.8° | 120.3° |
| C3 | C4 | C8 | 121.4° | 120.3° |
| C4 | C3 | H8 | 108.6° | 109.5° |
| C4 | C3 | H9 | 108.6° | 109.4° |
| C4 | C5 | C6 | 120.5° | 118.6° |
| C5 | C4 | C8 | 116.9° | 119.4° |
| C4 | C5 | H10 | 119.7° | 120.7° |
| C5 | C6 | C7 | 118.3° | 119.0° |
| C5 | C6 | H11 | 120.8° | 120.5° |
| C6 | C5 | H10 | 119.7° | 120.7° |
| C6 | C7 | N1 | 122.2° | 120.6° |
| C6 | C7 | C9 | 120.4° | 119.7° |
| C7 | C6 | H11 | 120.8° | 120.5° |
| C7 | N1 | C8 | 117.6° | 121.6° |
| N1 | C7 | C9 | 117.0° | 119.7° |
| N1 | C8 | C4 | 124.1° | 120.9° |
| N1 | C8 | H12 | 117.9° | 119.5° |
| C4 | C8 | H12 | 118.0° | 119.6° |
| C7 | C9 | C10 | 128.4° | 124.6° |
| C7 | C9 | S1 | 120.1° | 124.7° |
| C9 | C10 | C11 | 113.7° | 115.6° |
| C10 | C9 | S1 | 111.5° | 110.7° |
| C9 | C10 | H13 | 123.2° | 122.2° |
| C10 | C11 | N2 | 125.1° | 128.5° |
| C10 | C11 | C30 | 111.6° | 112.4° |
| C11 | C10 | H13 | 123.2° | 122.1° |
| C11 | N2 | C12 | 117.3° | 122.3° |
| N2 | C11 | C30 | 122.9° | 119.1° |
| N2 | C12 | C13 | 123.9° | 121.5° |
| N2 | C12 | H14 | 118.1° | 119.2° |
| C12 | C13 | C14 | 118.0° | 119.1° |
| C13 | C12 | H14 | 118.1° | 119.3° |
| C12 | C13 | H15 | 121.0° | 120.5° |
| C13 | C14 | O1 | 123.2° | 120.8° |
| C13 | C14 | C30 | 119.4° | 118.5° |
| C14 | C13 | H15 | 121.0° | 120.4° |
| C14 | O1 | C15 | 119.0° | 118.0° |
| O1 | C14 | C30 | 117.3° | 120.7° |
| O1 | C15 | C16 | 120.4° | 120.0° |
| O1 | C15 | C29 | 121.2° | 120.0° |
| C15 | C16 | C17 | 119.7° | 120.0° |
| C16 | C15 | C29 | 118.3° | 120.0° |
| C15 | C16 | H16 | 120.1° | 120.0° |
| C16 | C17 | C18 | 120.6° | 120.0° |
| C17 | C16 | H16 | 120.1° | 120.0° |
| C16 | C17 | H17 | 119.7° | 120.0° |
| C17 | C18 | N3 | 115.2° | 120.0° |
| C17 | C18 | C28 | 119.9° | 120.0° |
| C18 | C17 | H17 | 119.7° | 120.0° |
| C18 | N3 | C19 | 135.1° | 120.0° |
| N3 | C18 | C28 | 124.8° | 120.0° |
| C18 | N3 | H18 | 112.5° | 120.0° |
| N3 | C19 | S | 126.9° | 120.0° |
| N3 | C19 | N4 | 115.8° | 120.0° |
| C19 | N3 | H18 | 112.5° | 120.0° |
| S | C19 | N4 | 117.3° | 120.0° |
| C19 | N4 | C20 | 128.2° | 120.0° |
| C19 | N4 | H19 | 115.8° | 120.0° |
| N4 | C20 | O2 | 122.2° | 120.0° |
| N4 | C20 | C21 | 114.7° | 120.0° |
| C20 | N4 | H19 | 115.9° | 120.0° |
| O2 | C20 | C21 | 123.1° | 120.0° |
| C20 | C21 | C22 | 111.1° | 109.5° |
| C20 | C21 | H20 | 109.1° | 109.5° |
| C20 | C21 | H21 | 109.1° | 109.5° |
| C21 | C22 | C23 | 120.8° | 120.0° |
| C21 | C22 | C27 | 120.6° | 120.0° |
| C22 | C21 | H20 | 109.1° | 109.5° |
| C22 | C21 | H21 | 109.1° | 109.5° |
| C22 | C23 | C24 | 120.9° | 120.0° |
| C23 | C22 | C27 | 118.6° | 120.0° |
| C22 | C23 | H22 | 119.6° | 119.9° |
| C23 | C24 | C25 | 118.2° | 120.0° |
| C23 | C24 | H23 | 120.9° | 120.0° |
| C24 | C23 | H22 | 119.5° | 120.0° |
| C24 | C25 | F | 118.3° | 120.0° |
| C24 | C25 | C26 | 123.2° | 119.9° |
| C25 | C24 | H23 | 120.9° | 120.0° |
| F | C25 | C26 | 118.5° | 120.0° |
| C25 | C26 | C27 | 118.3° | 120.0° |
| C25 | C26 | H24 | 120.8° | 120.0° |
| C26 | C27 | C22 | 120.8° | 120.1° |
| C26 | C27 | H25 | 119.6° | 120.0° |
| C27 | C26 | H24 | 120.9° | 120.0° |
| C22 | C27 | H25 | 119.6° | 119.9° |
| C18 | C28 | C29 | 118.4° | 120.0° |
| C18 | C28 | H26 | 120.8° | 120.0° |
| C28 | C29 | C15 | 122.9° | 120.0° |
| C28 | C29 | F1 | 118.3° | 120.0° |
| C29 | C28 | H26 | 120.8° | 120.0° |
| C15 | C29 | F1 | 118.5° | 120.0° |
| C14 | C30 | C11 | 118.3° | 119.5° |
| C14 | C30 | S1 | 129.4° | 130.7° |
| C11 | C30 | S1 | 112.2° | 109.7° |
| C30 | S1 | C9 | 90.8° | 91.5° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.4° |
| H8 | C3 | H9 | 109.4° | 109.5° |
| H20 | C21 | H21 | 109.4° | 109.4° |
| H | C | H1 | 109.4° | 109.6° |
| H | C | H2 | 109.5° | 109.4° |
| H1 | C | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | C2 | 163.5° | 180.0° |
| C | O | C1 | H3 | 76.7° | 60.0° |
| C | O | C1 | H4 | 43.8° | 60.0° |
| O | C | H | H1 | 120.0° | 120.1° |
| O | C | H | H2 | 120.0° | 119.9° |
| O | C | H1 | H2 | 120.0° | 120.0° |
| O | C1 | C2 | H3 | 119.8° | 120.0° |
| O | C1 | C2 | H4 | 119.8° | 119.9° |
| O | C1 | C2 | N | 130.8° | 64.9° |
| O | C1 | H3 | H4 | 120.7° | 120.0° |
| O | C1 | C2 | H5 | 108.9° | 175.0° |
| O | C1 | C2 | H6 | 10.6° | 55.1° |
| C1 | O | C | H | 180.0° | 60.1° |
| C1 | O | C | H1 | 60.0° | 60.1° |
| C1 | O | C | H2 | 60.0° | 180.0° |
| C1 | C2 | N | H5 | 120.3° | 120.0° |
| C1 | C2 | N | H6 | 120.3° | 120.0° |
| C1 | C2 | N | C3 | 89.8° | 180.0° |
| C2 | C1 | H3 | H4 | 120.7° | 120.0° |
| C1 | C2 | H5 | H6 | 119.2° | 119.9° |
| C1 | C2 | N | H27 | 30.7° | 56.0° |
| C2 | N | C3 | H27 | 120.5° | 124.0° |
| C2 | N | C3 | C4 | 55.6° | 180.0° |
| N | C2 | C1 | H3 | 11.1° | 175.0° |
| N | C2 | C1 | H4 | 109.4° | 55.0° |
| N | C2 | H5 | H6 | 119.1° | 120.0° |
| C2 | N | C3 | H8 | 64.9° | 60.0° |
| C2 | N | C3 | H9 | 176.1° | 60.0° |
| N | C3 | C4 | H8 | 120.5° | 120.0° |
| N | C3 | C4 | H9 | 120.5° | 120.0° |
| N | C3 | C4 | C5 | 96.4° | 90.0° |
| N | C3 | C4 | C8 | 84.7° | 89.6° |
| C3 | N | C2 | H5 | 149.9° | 59.9° |
| C3 | N | C2 | H6 | 30.5° | 60.0° |
| N | C3 | H8 | H9 | 118.4° | 120.0° |
| C3 | C4 | C5 | C8 | 179.0° | 179.7° |
| C3 | C4 | C5 | C6 | 178.1° | 179.9° |
| C3 | C4 | C8 | N1 | 178.4° | 180.0° |
| C4 | C3 | H8 | H9 | 118.4° | 119.9° |
| C3 | C4 | C8 | H12 | 1.6° | 0.1° |
| C3 | C4 | C5 | H10 | 1.9° | 0.0° |
| C4 | C3 | N | H27 | 176.1° | 56.0° |
| C4 | C5 | C6 | H10 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 5.4° | 0.0° |
| C5 | C4 | C8 | N1 | 2.6° | 0.3° |
| C5 | C4 | C3 | H8 | 24.1° | 150.0° |
| C5 | C4 | C3 | H9 | 143.1° | 30.0° |
| C5 | C4 | C8 | H12 | 177.4° | 179.8° |
| C4 | C5 | C6 | H11 | 174.6° | 180.0° |
| C5 | C6 | C7 | H11 | 180.0° | 179.9° |
| C5 | C6 | C7 | N1 | 7.7° | 0.3° |
| C6 | C5 | C4 | C8 | 2.9° | 0.3° |
| C5 | C6 | C7 | C9 | 179.6° | 180.0° |
| C6 | C7 | N1 | C9 | 172.9° | 179.6° |
| C6 | C7 | N1 | C8 | 7.2° | 0.3° |
| C6 | C7 | C9 | C10 | 2.9° | 179.9° |
| C6 | C7 | C9 | S1 | 176.3° | 0.3° |
| C7 | C6 | C5 | H10 | 174.6° | 180.0° |
| C7 | N1 | C8 | C4 | 4.7° | 0.0° |
| N1 | C7 | C9 | C10 | 170.2° | 0.3° |
| N1 | C7 | C9 | S1 | 10.6° | 179.4° |
| C7 | N1 | C8 | H12 | 175.3° | 179.9° |
| N1 | C7 | C6 | H11 | 172.3° | 179.7° |
| N1 | C8 | C4 | H12 | 180.0° | 179.9° |
| C8 | N1 | C7 | C9 | 179.8° | 179.9° |
| C8 | C4 | C3 | H8 | 154.8° | 30.4° |
| C8 | C4 | C3 | H9 | 35.8° | 150.3° |
| C8 | C4 | C5 | H10 | 177.1° | 179.7° |
| C7 | C9 | C10 | S1 | 179.2° | 179.7° |
| C7 | C9 | C10 | C11 | 179.9° | 180.0° |
| C7 | C9 | S1 | C30 | 178.8° | 179.9° |
| C7 | C9 | C10 | H13 | 0.2° | 0.1° |
| C9 | C7 | C6 | H11 | 0.4° | 0.1° |
| C9 | C10 | C11 | H13 | 180.0° | 179.9° |
| C9 | C10 | C11 | N2 | 173.8° | 180.0° |
| C9 | C10 | C11 | C30 | 0.9° | 0.0° |
| C10 | C9 | S1 | C30 | 1.9° | 0.4° |
| C10 | C11 | N2 | C30 | 172.2° | 180.0° |
| C10 | C11 | N2 | C12 | 174.5° | 180.0° |
| C10 | C11 | C30 | C14 | 177.4° | 180.0° |
| C10 | C11 | C30 | S1 | 2.3° | 0.3° |
| C11 | C10 | C9 | S1 | 0.9° | 0.3° |
| C11 | N2 | C12 | C13 | 1.4° | 0.0° |
| N2 | C11 | C30 | C14 | 4.3° | 0.0° |
| N2 | C11 | C30 | S1 | 175.4° | 179.8° |
| N2 | C11 | C10 | H13 | 6.2° | 0.1° |
| C11 | N2 | C12 | H14 | 178.6° | 179.9° |
| N2 | C12 | C13 | H14 | 180.0° | 179.9° |
| N2 | C12 | C13 | C14 | 2.5° | 0.0° |
| C12 | N2 | C11 | C30 | 2.3° | 0.0° |
| N2 | C12 | C13 | H15 | 177.4° | 180.0° |
| C12 | C13 | C14 | H15 | 180.0° | 180.0° |
| C12 | C13 | C14 | O1 | 179.9° | 180.0° |
| C12 | C13 | C14 | C30 | 4.5° | 0.0° |
| C13 | C14 | O1 | C30 | 175.5° | 180.0° |
| C13 | C14 | O1 | C15 | 12.3° | 5.0° |
| C13 | C14 | C30 | C11 | 5.3° | 0.0° |
| C13 | C14 | C30 | S1 | 174.4° | 179.7° |
| C14 | C13 | C12 | H14 | 177.4° | 179.9° |
| C14 | O1 | C15 | C16 | 84.1° | 101.5° |
| C14 | O1 | C15 | C29 | 91.5° | 78.3° |
| O1 | C14 | C30 | C11 | 179.0° | 180.0° |
| O1 | C14 | C30 | S1 | 1.3° | 0.4° |
| O1 | C14 | C13 | H15 | 0.1° | 0.1° |
| O1 | C15 | C16 | C29 | 175.7° | 179.8° |
| O1 | C15 | C16 | C17 | 171.7° | 179.7° |
| O1 | C15 | C29 | C28 | 174.2° | 179.7° |
| O1 | C15 | C29 | F1 | 0.2° | 0.3° |
| C15 | O1 | C14 | C30 | 163.2° | 174.9° |
| O1 | C15 | C16 | H16 | 8.3° | 0.3° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 3.1° | 0.0° |
| C16 | C15 | C29 | C28 | 1.4° | 0.1° |
| C16 | C15 | C29 | F1 | 175.9° | 180.0° |
| C15 | C16 | C17 | H17 | 176.9° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | N3 | 176.7° | 179.9° |
| C16 | C17 | C18 | C28 | 0.4° | 0.0° |
| C17 | C16 | C15 | C29 | 3.9° | 0.1° |
| C17 | C18 | N3 | C28 | 177.0° | 180.0° |
| C17 | C18 | N3 | C19 | 177.2° | 46.1° |
| C17 | C18 | C28 | C29 | 2.9° | 0.1° |
| C18 | C17 | C16 | H16 | 176.9° | 180.0° |
| C17 | C18 | C28 | H26 | 177.1° | 180.0° |
| C17 | C18 | N3 | H18 | 2.8° | 133.9° |
| C18 | N3 | C19 | H18 | 180.0° | 180.0° |
| C18 | N3 | C19 | S | 0.6° | 4.5° |
| C18 | N3 | C19 | N4 | 179.7° | 175.4° |
| N3 | C18 | C28 | C29 | 173.9° | 179.9° |
| N3 | C18 | C28 | H26 | 6.1° | 0.0° |
| N3 | C18 | C17 | H17 | 3.3° | 0.0° |
| N3 | C19 | S | N4 | 179.7° | 180.0° |
| N3 | C19 | N4 | C20 | 9.7° | 180.0° |
| C19 | N3 | C18 | C28 | 0.2° | 133.9° |
| N3 | C19 | N4 | H19 | 170.3° | 0.1° |
| S | C19 | N4 | C20 | 170.6° | 0.1° |
| S | C19 | N3 | H18 | 179.3° | 175.5° |
| S | C19 | N4 | H19 | 9.4° | 179.9° |
| C19 | N4 | C20 | H19 | 180.0° | 179.9° |
| C19 | N4 | C20 | O2 | 3.0° | 0.1° |
| C19 | N4 | C20 | C21 | 179.8° | 180.0° |
| N4 | C19 | N3 | H18 | 0.3° | 4.6° |
| N4 | C20 | O2 | C21 | 177.0° | 179.9° |
| N4 | C20 | C21 | C22 | 178.6° | 180.0° |
| N4 | C20 | C21 | H20 | 58.4° | 60.0° |
| N4 | C20 | C21 | H21 | 61.1° | 59.9° |
| O2 | C20 | C21 | C22 | 4.1° | 0.0° |
| O2 | C20 | C21 | H20 | 124.4° | 120.1° |
| O2 | C20 | C21 | H21 | 116.1° | 120.0° |
| O2 | C20 | N4 | H19 | 177.0° | 180.0° |
| C20 | C21 | C22 | H20 | 120.3° | 120.0° |
| C20 | C21 | C22 | H21 | 120.3° | 120.0° |
| C20 | C21 | C22 | C23 | 111.2° | 90.0° |
| C20 | C21 | C22 | C27 | 70.6° | 89.7° |
| C20 | C21 | H20 | H21 | 119.2° | 120.0° |
| C21 | C20 | N4 | H19 | 0.2° | 0.1° |
| C21 | C22 | C23 | C27 | 178.3° | 179.7° |
| C21 | C22 | C23 | C24 | 179.9° | 179.8° |
| C21 | C22 | C27 | C26 | 178.2° | 179.9° |
| C22 | C21 | H20 | H21 | 119.2° | 120.0° |
| C21 | C22 | C27 | H25 | 1.8° | 0.0° |
| C21 | C22 | C23 | H22 | 0.1° | 0.1° |
| C22 | C23 | C24 | H22 | 180.0° | 179.7° |
| C22 | C23 | C24 | C25 | 1.7° | 0.6° |
| C23 | C22 | C27 | C26 | 0.0° | 0.3° |
| C23 | C22 | C21 | H20 | 128.6° | 30.1° |
| C23 | C22 | C21 | H21 | 9.1° | 150.0° |
| C22 | C23 | C24 | H23 | 178.3° | 179.8° |
| C23 | C22 | C27 | H25 | 180.0° | 179.7° |
| C23 | C24 | C25 | H23 | 180.0° | 179.7° |
| C23 | C24 | C25 | F | 177.8° | 180.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.3° |
| C24 | C23 | C22 | C27 | 1.6° | 0.6° |
| C24 | C25 | F | C26 | 177.9° | 179.8° |
| C24 | C25 | C26 | C27 | 1.6° | 0.0° |
| C24 | C25 | C26 | H24 | 178.4° | 180.0° |
| C25 | C24 | C23 | H22 | 178.3° | 179.8° |
| F | C25 | C26 | C27 | 179.4° | 179.8° |
| F | C25 | C24 | H23 | 2.2° | 0.3° |
| F | C25 | C26 | H24 | 0.6° | 0.2° |
| C25 | C26 | C27 | H24 | 180.0° | 179.9° |
| C25 | C26 | C27 | C22 | 1.6° | 0.0° |
| C26 | C25 | C24 | H23 | 179.9° | 179.9° |
| C25 | C26 | C27 | H25 | 178.4° | 180.0° |
| C26 | C27 | C22 | H25 | 180.0° | 180.0° |
| C27 | C22 | C21 | H20 | 49.7° | 150.3° |
| C27 | C22 | C21 | H21 | 169.1° | 30.3° |
| C22 | C27 | C26 | H24 | 178.4° | 180.0° |
| C27 | C22 | C23 | H22 | 178.4° | 179.8° |
| C18 | C28 | C29 | H26 | 180.0° | 179.9° |
| C18 | C28 | C29 | C15 | 2.0° | 0.1° |
| C18 | C28 | C29 | F1 | 172.5° | 180.0° |
| C28 | C18 | N3 | H18 | 179.8° | 46.1° |
| C28 | C18 | C17 | H17 | 179.6° | 180.0° |
| C28 | C29 | C15 | F1 | 174.5° | 179.9° |
| C29 | C15 | C16 | H16 | 176.1° | 180.0° |
| C15 | C29 | C28 | H26 | 178.0° | 180.0° |
| F1 | C29 | C28 | H26 | 7.6° | 0.1° |
| C14 | C30 | C11 | S1 | 179.7° | 179.7° |
| C14 | C30 | S1 | C9 | 177.3° | 180.0° |
| C30 | C14 | C13 | H15 | 175.5° | 180.0° |
| C11 | C30 | S1 | C9 | 2.4° | 0.4° |
| C30 | C11 | C10 | H13 | 179.1° | 179.9° |
| S1 | C9 | C10 | H13 | 179.1° | 179.8° |
| H3 | C1 | C2 | H5 | 131.4° | 54.9° |
| H3 | C1 | C2 | H6 | 109.2° | 65.0° |
| H4 | C1 | C2 | H5 | 10.9° | 65.1° |
| H4 | C1 | C2 | H6 | 130.3° | 175.0° |
| H5 | C2 | N | H27 | 89.6° | 176.1° |
| H6 | C2 | N | H27 | 151.0° | 64.0° |
| H8 | C3 | N | H27 | 55.6° | 64.0° |
| H9 | C3 | N | H27 | 63.4° | 176.0° |
| H14 | C12 | C13 | H15 | 2.6° | 0.0° |
| H16 | C16 | C17 | H17 | 3.1° | 0.1° |
| H23 | C24 | C23 | H22 | 1.7° | 0.1° |
| H25 | C27 | C26 | H24 | 1.6° | 0.1° |
| H11 | C6 | C5 | H10 | 5.4° | 0.0° |
| H | C | H1 | H2 | 120.0° | 120.0° |
