A1DBY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C14 | sing | 1.35Å | 1.35Å | |
| CL | C13 | sing | 1.74Å | 1.73Å | |
| C14 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | O2 | sing | 1.36Å | 1.37Å | |
| O | C | sing | 1.43Å | 1.43Å | |
| O2 | C9 | sing | 1.43Å | 1.42Å | |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C | C5 | sing | 1.53Å | 1.51Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| N | C8 | sing | 1.35Å | 1.34Å | |
| N | C5 | sing | 1.47Å | 1.46Å | |
| F1 | C22 | sing | 1.35Å | 1.35Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C8 | O1 | doub | 1.21Å | 1.23Å | |
| C23 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| O4 | C18 | sing | 1.36Å | 1.37Å | |
| O4 | C17 | sing | 1.43Å | 1.42Å | |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | C7 | sing | 1.53Å | 1.54Å | |
| C21 | CL1 | sing | 1.74Å | 1.73Å | |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| N1 | C16 | sing | 1.35Å | 1.34Å | |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | O3 | doub | 1.21Å | 1.23Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| O | H14 | sing | 0.97Å | 0.95Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C14 | C13 | 119.1° | 120.0° |
| F | C14 | C15 | 119.2° | 120.0° |
| CL | C13 | C14 | 120.3° | 120.0° |
| CL | C13 | C12 | 119.8° | 119.9° |
| C13 | C14 | C15 | 121.8° | 120.0° |
| C14 | C13 | C12 | 119.8° | 120.1° |
| C14 | C15 | C10 | 117.9° | 120.0° |
| C14 | C15 | H8 | 121.1° | 120.1° |
| C13 | C12 | C11 | 119.8° | 120.0° |
| C13 | C12 | H18 | 120.1° | 120.0° |
| C15 | C10 | C11 | 121.1° | 119.9° |
| C15 | C10 | O2 | 119.5° | 120.1° |
| C10 | C15 | H8 | 121.0° | 120.0° |
| C12 | C11 | C10 | 119.6° | 120.0° |
| C12 | C11 | H17 | 120.2° | 120.0° |
| C11 | C12 | H18 | 120.1° | 120.0° |
| C11 | C10 | O2 | 119.2° | 120.0° |
| C10 | C11 | H17 | 120.2° | 120.0° |
| C10 | O2 | C9 | 118.1° | 117.0° |
| O | C | C1 | 111.7° | 109.4° |
| O | C | C5 | 106.4° | 109.5° |
| O | C | H13 | 109.7° | 109.5° |
| C | O | H14 | 109.5° | 114.0° |
| O2 | C9 | C8 | 108.8° | 109.5° |
| O2 | C9 | H23 | 109.6° | 109.5° |
| O2 | C9 | H24 | 109.6° | 109.5° |
| C1 | C | C5 | 112.0° | 109.5° |
| C | C1 | C2 | 108.1° | 109.5° |
| C1 | C | H13 | 108.3° | 109.4° |
| C | C1 | H15 | 109.8° | 109.5° |
| C | C1 | H16 | 109.8° | 109.5° |
| C | C5 | N | 107.5° | 109.4° |
| C | C5 | C4 | 111.2° | 109.5° |
| C | C5 | C6 | 106.7° | 109.5° |
| C5 | C | H13 | 108.7° | 109.5° |
| C9 | C8 | N | 115.8° | 120.0° |
| C9 | C8 | O1 | 120.3° | 120.0° |
| C8 | C9 | H23 | 109.6° | 109.5° |
| C8 | C9 | H24 | 109.7° | 109.5° |
| C8 | N | C5 | 129.1° | 120.0° |
| N | C8 | O1 | 123.8° | 120.0° |
| C8 | N | H12 | 115.5° | 120.0° |
| N | C5 | C4 | 112.5° | 109.5° |
| N | C5 | C6 | 111.7° | 109.5° |
| C5 | N | H12 | 115.4° | 120.0° |
| F1 | C22 | C23 | 119.2° | 120.0° |
| F1 | C22 | C21 | 119.0° | 120.1° |
| C1 | C2 | C3 | 108.9° | 109.5° |
| C1 | C2 | N1 | 107.8° | 109.5° |
| C1 | C2 | C7 | 109.5° | 109.4° |
| C2 | C1 | H15 | 109.8° | 109.5° |
| C2 | C1 | H16 | 109.8° | 109.4° |
| C22 | C23 | C18 | 117.9° | 119.9° |
| C23 | C22 | C21 | 121.7° | 120.0° |
| C22 | C23 | H20 | 121.1° | 120.1° |
| C23 | C18 | O4 | 122.7° | 120.0° |
| C23 | C18 | C19 | 121.1° | 119.9° |
| C18 | C23 | H20 | 121.1° | 120.0° |
| C4 | C5 | C6 | 107.2° | 109.5° |
| C5 | C4 | C3 | 110.3° | 109.5° |
| C5 | C4 | H2 | 109.3° | 109.5° |
| C5 | C4 | H3 | 109.3° | 109.5° |
| C5 | C6 | C7 | 110.1° | 109.4° |
| C5 | C6 | H4 | 109.3° | 109.5° |
| C5 | C6 | H5 | 109.3° | 109.5° |
| C4 | C3 | C2 | 110.1° | 109.5° |
| C3 | C4 | H2 | 109.3° | 109.5° |
| C3 | C4 | H3 | 109.3° | 109.5° |
| C4 | C3 | H21 | 109.3° | 109.5° |
| C4 | C3 | H22 | 109.3° | 109.5° |
| C22 | C21 | CL1 | 120.3° | 119.9° |
| C22 | C21 | C20 | 119.9° | 120.1° |
| C18 | O4 | C17 | 116.7° | 117.0° |
| O4 | C18 | C19 | 116.2° | 120.0° |
| O4 | C17 | C16 | 109.1° | 109.4° |
| O4 | C17 | H9 | 109.6° | 109.5° |
| O4 | C17 | H10 | 109.6° | 109.5° |
| C18 | C19 | C20 | 119.7° | 120.0° |
| C18 | C19 | H19 | 120.1° | 120.0° |
| C3 | C2 | N1 | 111.6° | 109.5° |
| C3 | C2 | C7 | 108.1° | 109.5° |
| C2 | C3 | H21 | 109.3° | 109.5° |
| C2 | C3 | H22 | 109.3° | 109.4° |
| N1 | C2 | C7 | 110.9° | 109.5° |
| C2 | N1 | C16 | 129.8° | 120.0° |
| C2 | N1 | H1 | 115.1° | 120.0° |
| C2 | C7 | C6 | 110.0° | 109.5° |
| C2 | C7 | H6 | 109.3° | 109.4° |
| C2 | C7 | H7 | 109.3° | 109.5° |
| CL1 | C21 | C20 | 119.8° | 120.0° |
| C21 | C20 | C19 | 119.7° | 120.0° |
| C21 | C20 | H11 | 120.2° | 120.0° |
| C7 | C6 | H4 | 109.3° | 109.5° |
| C7 | C6 | H5 | 109.3° | 109.5° |
| C6 | C7 | H6 | 109.4° | 109.5° |
| C6 | C7 | H7 | 109.3° | 109.5° |
| C17 | C16 | N1 | 115.6° | 120.0° |
| C17 | C16 | O3 | 120.1° | 120.0° |
| C16 | C17 | H9 | 109.5° | 109.4° |
| C16 | C17 | H10 | 109.6° | 109.4° |
| N1 | C16 | O3 | 124.2° | 119.9° |
| C16 | N1 | H1 | 115.1° | 120.0° |
| C19 | C20 | H11 | 120.1° | 119.9° |
| C20 | C19 | H19 | 120.1° | 120.0° |
| H2 | C4 | H3 | 109.4° | 109.4° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.4° | 109.5° |
| H9 | C17 | H10 | 109.5° | 109.5° |
| H15 | C1 | H16 | 109.4° | 109.5° |
| H21 | C3 | H22 | 109.5° | 109.4° |
| H23 | C9 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C14 | C13 | CL | 0.3° | 0.5° |
| F | C14 | C13 | C15 | 179.0° | 179.3° |
| F | C14 | C13 | C12 | 179.2° | 180.0° |
| F | C14 | C15 | C10 | 177.9° | 179.7° |
| F | C14 | C15 | H8 | 2.1° | 0.2° |
| CL | C13 | C14 | C12 | 178.9° | 179.5° |
| CL | C13 | C14 | C15 | 178.8° | 179.8° |
| CL | C13 | C12 | C11 | 178.1° | 180.0° |
| CL | C13 | C12 | H18 | 1.9° | 0.5° |
| C13 | C14 | C15 | C10 | 1.1° | 0.4° |
| C14 | C13 | C12 | C11 | 0.9° | 0.5° |
| C13 | C14 | C15 | H8 | 178.8° | 179.5° |
| C14 | C13 | C12 | H18 | 179.1° | 180.0° |
| C15 | C14 | C13 | C12 | 0.2° | 0.7° |
| C14 | C15 | C10 | H8 | 180.0° | 179.9° |
| C14 | C15 | C10 | C11 | 1.8° | 0.0° |
| C14 | C15 | C10 | O2 | 173.3° | 179.7° |
| C13 | C12 | C11 | H18 | 180.0° | 179.5° |
| C13 | C12 | C11 | C10 | 0.2° | 0.0° |
| C13 | C12 | C11 | H17 | 179.8° | 180.0° |
| C15 | C10 | C11 | C12 | 1.1° | 0.2° |
| C15 | C10 | C11 | O2 | 175.1° | 179.7° |
| C15 | C10 | O2 | C9 | 172.4° | 0.3° |
| C15 | C10 | C11 | H17 | 178.9° | 179.7° |
| C12 | C11 | C10 | H17 | 180.0° | 179.9° |
| C12 | C11 | C10 | O2 | 174.0° | 179.9° |
| C11 | C10 | O2 | C9 | 2.8° | 180.0° |
| C11 | C10 | C15 | H8 | 178.2° | 180.0° |
| C10 | C11 | C12 | H18 | 179.8° | 179.5° |
| C10 | O2 | C9 | C8 | 156.2° | 180.0° |
| O2 | C10 | C15 | H8 | 6.7° | 0.3° |
| O2 | C10 | C11 | H17 | 6.1° | 0.0° |
| C10 | O2 | C9 | H23 | 36.3° | 60.0° |
| C10 | O2 | C9 | H24 | 83.8° | 60.0° |
| O | C | C1 | C5 | 119.2° | 120.0° |
| O | C | C1 | H13 | 120.9° | 120.0° |
| O | C | C5 | H13 | 118.1° | 120.1° |
| O | C | C5 | N | 51.2° | 60.0° |
| O | C | C1 | C2 | 130.5° | 120.0° |
| O | C | C5 | C4 | 72.3° | 60.0° |
| O | C | C5 | C6 | 171.2° | 180.0° |
| O | C | C1 | H15 | 109.7° | 120.0° |
| O | C | C1 | H16 | 10.7° | 0.0° |
| O2 | C9 | C8 | H23 | 119.9° | 120.0° |
| O2 | C9 | C8 | H24 | 119.9° | 120.0° |
| O2 | C9 | C8 | N | 10.8° | 180.0° |
| O2 | C9 | C8 | O1 | 171.2° | 0.0° |
| O2 | C9 | H23 | H24 | 120.3° | 120.0° |
| C1 | C | C5 | H13 | 119.6° | 120.0° |
| C1 | C | C5 | N | 173.5° | 180.0° |
| C | C1 | C2 | H15 | 119.8° | 120.0° |
| C | C1 | C2 | H16 | 119.8° | 120.0° |
| C1 | C | C5 | C4 | 50.0° | 60.0° |
| C1 | C | C5 | C6 | 66.5° | 60.0° |
| C | C1 | C2 | C3 | 65.6° | 60.0° |
| C | C1 | C2 | N1 | 173.2° | 180.0° |
| C | C1 | C2 | C7 | 52.4° | 60.0° |
| C1 | C | O | H14 | 180.0° | 60.0° |
| C | C1 | H15 | H16 | 120.6° | 120.0° |
| C | C5 | N | C8 | 168.5° | 180.0° |
| C | C5 | N | C4 | 122.7° | 120.0° |
| C | C5 | N | C6 | 116.7° | 120.0° |
| C5 | C | C1 | C2 | 11.2° | 0.0° |
| C | C5 | C4 | C6 | 116.2° | 120.0° |
| C | C5 | C4 | C3 | 59.2° | 60.0° |
| C | C5 | C6 | C7 | 55.2° | 60.0° |
| C | C5 | C4 | H2 | 61.0° | 60.0° |
| C | C5 | C4 | H3 | 179.3° | 180.0° |
| C | C5 | C6 | H4 | 175.3° | 180.0° |
| C | C5 | C6 | H5 | 64.9° | 60.0° |
| C | C5 | N | H12 | 11.5° | 0.0° |
| C5 | C | O | H14 | 57.5° | 180.0° |
| C5 | C | C1 | H15 | 131.0° | 120.0° |
| C5 | C | C1 | H16 | 108.6° | 120.0° |
| C9 | C8 | N | O1 | 177.9° | 180.0° |
| C9 | C8 | N | C5 | 158.3° | 180.0° |
| C9 | C8 | N | H12 | 21.7° | 0.1° |
| C8 | C9 | H23 | H24 | 120.3° | 120.0° |
| C8 | N | C5 | H12 | 180.0° | 180.0° |
| C8 | N | C5 | C4 | 68.8° | 60.0° |
| C8 | N | C5 | C6 | 51.8° | 60.1° |
| N | C8 | C9 | H23 | 130.7° | 60.0° |
| N | C8 | C9 | H24 | 109.1° | 60.0° |
| C5 | N | C8 | O1 | 19.6° | 0.0° |
| N | C5 | C4 | C6 | 123.2° | 120.0° |
| N | C5 | C4 | C3 | 179.8° | 180.0° |
| N | C5 | C6 | C7 | 172.4° | 180.0° |
| N | C5 | C4 | H2 | 59.6° | 60.0° |
| N | C5 | C4 | H3 | 60.1° | 60.0° |
| N | C5 | C6 | H4 | 67.5° | 60.1° |
| N | C5 | C6 | H5 | 52.3° | 60.0° |
| N | C5 | C | H13 | 66.9° | 60.0° |
| F1 | C22 | C23 | C21 | 179.6° | 180.0° |
| F1 | C22 | C23 | C18 | 179.2° | 179.7° |
| F1 | C22 | C21 | CL1 | 0.7° | 0.0° |
| F1 | C22 | C21 | C20 | 179.2° | 180.0° |
| F1 | C22 | C23 | H20 | 0.8° | 0.1° |
| C1 | C2 | C3 | C4 | 56.5° | 60.0° |
| C1 | C2 | C3 | N1 | 118.9° | 120.0° |
| C1 | C2 | C3 | C7 | 118.9° | 119.9° |
| C1 | C2 | N1 | C7 | 119.9° | 119.9° |
| C1 | C2 | C7 | C6 | 63.0° | 60.0° |
| C1 | C2 | N1 | C16 | 129.4° | 180.0° |
| C1 | C2 | N1 | H1 | 50.6° | 0.3° |
| C1 | C2 | C7 | H6 | 57.1° | 180.0° |
| C1 | C2 | C7 | H7 | 176.9° | 60.0° |
| C2 | C1 | C | H13 | 108.6° | 120.0° |
| C2 | C1 | H15 | H16 | 120.7° | 119.9° |
| C1 | C2 | C3 | H21 | 63.6° | 60.1° |
| C1 | C2 | C3 | H22 | 176.6° | 180.0° |
| O1 | C8 | N | H12 | 160.4° | 180.0° |
| O1 | C8 | C9 | H23 | 51.3° | 120.1° |
| O1 | C8 | C9 | H24 | 68.9° | 120.0° |
| C22 | C23 | C18 | H20 | 180.0° | 179.7° |
| C22 | C23 | C18 | O4 | 179.8° | 179.7° |
| C22 | C23 | C18 | C19 | 0.1° | 0.3° |
| C23 | C22 | C21 | CL1 | 179.7° | 180.0° |
| C23 | C22 | C21 | C20 | 0.3° | 0.0° |
| C18 | C23 | C22 | C21 | 0.4° | 0.3° |
| C23 | C18 | O4 | C19 | 179.9° | 180.0° |
| C23 | C18 | O4 | C17 | 179.1° | 0.0° |
| C23 | C18 | C19 | C20 | 0.2° | 0.0° |
| C23 | C18 | C19 | H19 | 179.8° | 180.0° |
| C5 | C4 | C3 | H2 | 120.2° | 120.0° |
| C5 | C4 | C3 | H3 | 120.1° | 120.0° |
| C5 | C4 | C3 | C2 | 4.9° | 0.0° |
| C4 | C5 | C6 | C7 | 63.9° | 60.0° |
| C5 | C4 | H2 | H3 | 119.6° | 120.0° |
| C4 | C5 | C6 | H4 | 56.1° | 60.0° |
| C4 | C5 | C6 | H5 | 176.0° | 180.0° |
| C4 | C5 | N | H12 | 111.2° | 120.0° |
| C4 | C5 | C | H13 | 169.6° | 180.0° |
| C5 | C4 | C3 | H21 | 125.0° | 120.0° |
| C5 | C4 | C3 | H22 | 115.2° | 120.0° |
| C6 | C5 | C4 | C3 | 57.0° | 60.0° |
| C5 | C6 | C7 | C2 | 6.7° | 0.0° |
| C5 | C6 | C7 | H4 | 120.1° | 120.0° |
| C5 | C6 | C7 | H5 | 120.1° | 120.0° |
| C6 | C5 | C4 | H2 | 177.2° | 180.0° |
| C6 | C5 | C4 | H3 | 63.1° | 60.0° |
| C5 | C6 | H4 | H5 | 119.7° | 120.0° |
| C5 | C6 | C7 | H6 | 113.4° | 120.0° |
| C5 | C6 | C7 | H7 | 126.8° | 120.0° |
| C6 | C5 | N | H12 | 128.2° | 120.0° |
| C6 | C5 | C | H13 | 53.1° | 59.9° |
| C4 | C3 | C2 | H21 | 120.1° | 120.1° |
| C4 | C3 | C2 | H22 | 120.1° | 120.0° |
| C4 | C3 | C2 | N1 | 175.4° | 180.0° |
| C4 | C3 | C2 | C7 | 62.4° | 59.9° |
| C3 | C4 | H2 | H3 | 119.6° | 120.0° |
| C4 | C3 | H21 | H22 | 119.7° | 120.0° |
| C22 | C21 | CL1 | C20 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.0° | 0.3° |
| C22 | C21 | C20 | H11 | 180.0° | 180.0° |
| C21 | C22 | C23 | H20 | 179.6° | 180.0° |
| C18 | O4 | C17 | C16 | 130.1° | 180.0° |
| O4 | C18 | C19 | C20 | 179.9° | 180.0° |
| C18 | O4 | C17 | H9 | 10.2° | 60.1° |
| C18 | O4 | C17 | H10 | 109.9° | 60.0° |
| O4 | C18 | C19 | H19 | 0.2° | 0.0° |
| O4 | C18 | C23 | H20 | 0.2° | 0.0° |
| C17 | O4 | C18 | C19 | 0.8° | 180.0° |
| O4 | C17 | C16 | H9 | 119.9° | 120.0° |
| O4 | C17 | C16 | H10 | 120.0° | 120.0° |
| O4 | C17 | C16 | N1 | 2.8° | 180.0° |
| O4 | C17 | C16 | O3 | 178.9° | 0.0° |
| O4 | C17 | H9 | H10 | 120.2° | 120.1° |
| C18 | C19 | C20 | C21 | 0.3° | 0.3° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | H11 | 179.7° | 180.0° |
| C19 | C18 | C23 | H20 | 179.9° | 180.0° |
| C3 | C2 | N1 | C7 | 120.6° | 120.1° |
| C3 | C2 | C7 | C6 | 55.5° | 60.0° |
| C3 | C2 | N1 | C16 | 9.9° | 60.0° |
| C3 | C2 | N1 | H1 | 170.1° | 119.7° |
| C2 | C3 | C4 | H2 | 115.2° | 120.0° |
| C2 | C3 | C4 | H3 | 125.0° | 120.0° |
| C3 | C2 | C7 | H6 | 175.6° | 60.0° |
| C3 | C2 | C7 | H7 | 64.6° | 180.0° |
| C3 | C2 | C1 | H15 | 174.6° | 180.0° |
| C3 | C2 | C1 | H16 | 54.2° | 60.0° |
| C2 | C3 | H21 | H22 | 119.7° | 120.0° |
| N1 | C2 | C7 | C6 | 178.1° | 180.0° |
| C2 | N1 | C16 | C17 | 130.3° | 179.7° |
| C2 | N1 | C16 | H1 | 180.0° | 179.6° |
| C2 | N1 | C16 | O3 | 45.6° | 0.3° |
| N1 | C2 | C7 | H6 | 61.8° | 60.0° |
| N1 | C2 | C7 | H7 | 58.1° | 59.9° |
| N1 | C2 | C1 | H15 | 53.4° | 59.9° |
| N1 | C2 | C1 | H16 | 67.1° | 60.0° |
| N1 | C2 | C3 | H21 | 55.3° | 60.0° |
| N1 | C2 | C3 | H22 | 64.5° | 60.0° |
| C2 | C7 | C6 | H6 | 120.1° | 119.9° |
| C2 | C7 | C6 | H7 | 120.1° | 120.0° |
| C7 | C2 | N1 | C16 | 110.7° | 60.1° |
| C7 | C2 | N1 | H1 | 69.3° | 120.3° |
| C2 | C7 | C6 | H4 | 113.4° | 120.0° |
| C2 | C7 | C6 | H5 | 126.8° | 120.0° |
| C2 | C7 | H6 | H7 | 119.8° | 120.0° |
| C7 | C2 | C1 | H15 | 67.4° | 60.0° |
| C7 | C2 | C1 | H16 | 172.1° | 180.0° |
| C7 | C2 | C3 | H21 | 177.5° | 180.0° |
| C7 | C2 | C3 | H22 | 57.7° | 60.1° |
| CL1 | C21 | C20 | C19 | 180.0° | 179.7° |
| CL1 | C21 | C20 | H11 | 0.0° | 0.1° |
| C21 | C20 | C19 | H11 | 180.0° | 179.7° |
| C21 | C20 | C19 | H19 | 179.7° | 179.7° |
| C7 | C6 | H4 | H5 | 119.7° | 120.0° |
| C6 | C7 | H6 | H7 | 119.7° | 120.0° |
| C17 | C16 | N1 | O3 | 176.0° | 180.0° |
| C17 | C16 | N1 | H1 | 49.7° | 0.1° |
| C16 | C17 | H9 | H10 | 120.2° | 120.0° |
| N1 | C16 | C17 | H9 | 122.7° | 60.0° |
| N1 | C16 | C17 | H10 | 117.1° | 60.0° |
| O3 | C16 | N1 | H1 | 134.4° | 180.0° |
| O3 | C16 | C17 | H9 | 61.1° | 120.0° |
| O3 | C16 | C17 | H10 | 59.0° | 120.0° |
| H2 | C4 | C3 | H21 | 4.9° | 0.0° |
| H2 | C4 | C3 | H22 | 124.7° | 120.0° |
| H3 | C4 | C3 | H21 | 114.9° | 120.0° |
| H3 | C4 | C3 | H22 | 5.0° | 0.0° |
| H4 | C6 | C7 | H6 | 126.5° | 0.0° |
| H4 | C6 | C7 | H7 | 6.7° | 120.0° |
| H5 | C6 | C7 | H6 | 6.7° | 120.1° |
| H5 | C6 | C7 | H7 | 113.1° | 0.0° |
| H11 | C20 | C19 | H19 | 0.3° | 0.0° |
| H13 | C | O | H14 | 59.9° | 59.9° |
| H13 | C | C1 | H15 | 11.2° | 0.0° |
| H13 | C | C1 | H16 | 131.6° | 120.0° |
| H17 | C11 | C12 | H18 | 0.2° | 0.6° |
