UEK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C26 | sing | 1.74Å | 1.78Å | |
| C26 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | C23 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| C22 | C | sing | 1.53Å | 1.56Å | |
| C | N | sing | 1.47Å | 1.50Å | |
| C | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | O | doub | 1.21Å | 1.23Å | |
| C2 | N1 | sing | 1.35Å | 1.31Å | |
| N1 | C7 | sing | 1.47Å | 1.47Å | |
| N1 | C3 | sing | 1.47Å | 1.50Å | |
| C7 | C6 | sing | 1.54Å | 1.52Å | |
| C6 | C4 | sing | 1.55Å | 1.51Å | |
| C6 | C8 | sing | 1.51Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.59Å | |
| C4 | C3 | sing | 1.55Å | 1.52Å | |
| C5 | O1 | sing | 1.43Å | 1.49Å | |
| C8 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.45Å | Aromatic |
| C21 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | N2 | sing | 1.40Å | 1.41Å | |
| C11 | CL | sing | 1.74Å | 1.81Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.43Å | Aromatic |
| N2 | C13 | sing | 1.35Å | 1.37Å | |
| C13 | O2 | doub | 1.21Å | 1.22Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.43Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | F | sing | 1.35Å | 1.39Å | |
| C18 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.43Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C26 | C25 | 117.9° | 120.0° |
| CL1 | C26 | C27 | 118.3° | 120.0° |
| C25 | C26 | C27 | 123.7° | 120.0° |
| C26 | C25 | C24 | 117.1° | 119.9° |
| C26 | C25 | H25 | 121.4° | 120.0° |
| C26 | C27 | C28 | 117.9° | 120.0° |
| C26 | C27 | H27 | 121.0° | 120.0° |
| C25 | C24 | C23 | 121.3° | 120.1° |
| C24 | C25 | H25 | 121.4° | 120.0° |
| C25 | C24 | H24 | 119.3° | 120.0° |
| C24 | C23 | C28 | 119.5° | 120.0° |
| C24 | C23 | C22 | 119.6° | 120.0° |
| C23 | C24 | H24 | 119.3° | 119.9° |
| C27 | C28 | C23 | 120.2° | 120.0° |
| C28 | C27 | H27 | 121.0° | 120.0° |
| C27 | C28 | H28 | 119.9° | 120.0° |
| C28 | C23 | C22 | 120.7° | 120.0° |
| C23 | C28 | H28 | 119.9° | 120.1° |
| C23 | C22 | C | 112.4° | 109.5° |
| C23 | C22 | H221 | 108.7° | 109.5° |
| C23 | C22 | H222 | 108.7° | 109.5° |
| C22 | C | N | 105.2° | 109.5° |
| C22 | C | C1 | 113.9° | 109.5° |
| C | C22 | H221 | 108.8° | 109.4° |
| C | C22 | H222 | 108.8° | 109.5° |
| C22 | C | H | 107.8° | 109.4° |
| N | C | C1 | 113.0° | 109.5° |
| N | C | H | 108.6° | 109.5° |
| C | N | HN1 | 109.5° | 111.0° |
| C | N | HN2 | 109.5° | 111.0° |
| C | C1 | C2 | 110.0° | 109.5° |
| C1 | C | H | 108.1° | 109.4° |
| C | C1 | H11C | 109.3° | 109.5° |
| C | C1 | H12C | 109.3° | 109.5° |
| C1 | C2 | O | 114.0° | 120.0° |
| C1 | C2 | N1 | 124.7° | 120.0° |
| C2 | C1 | H11C | 109.3° | 109.4° |
| C2 | C1 | H12C | 109.3° | 109.5° |
| O | C2 | N1 | 121.3° | 120.0° |
| C2 | N1 | C7 | 125.8° | 125.6° |
| C2 | N1 | C3 | 122.4° | 125.6° |
| C7 | N1 | C3 | 111.0° | 108.7° |
| N1 | C7 | C6 | 104.8° | 107.3° |
| N1 | C7 | H71C | 110.6° | 109.9° |
| N1 | C7 | H72C | 110.6° | 109.9° |
| N1 | C3 | C4 | 102.8° | 104.7° |
| N1 | C3 | H31C | 111.1° | 110.4° |
| N1 | C3 | H32C | 111.1° | 110.4° |
| C7 | C6 | C4 | 103.7° | 102.9° |
| C7 | C6 | C8 | 110.9° | 110.7° |
| C6 | C7 | H71C | 110.6° | 109.9° |
| C6 | C7 | H72C | 110.6° | 109.9° |
| C7 | C6 | H6 | 109.8° | 110.7° |
| C4 | C6 | C8 | 112.7° | 110.7° |
| C6 | C4 | C5 | 111.7° | 111.0° |
| C6 | C4 | C3 | 105.0° | 101.5° |
| C4 | C6 | H6 | 109.9° | 110.7° |
| C6 | C4 | H4 | 109.4° | 111.0° |
| C6 | C8 | C21 | 127.4° | 120.0° |
| C6 | C8 | C9 | 114.0° | 119.9° |
| C8 | C6 | H6 | 109.7° | 110.8° |
| C5 | C4 | C3 | 113.0° | 110.8° |
| C4 | C5 | O1 | 109.3° | 109.5° |
| C5 | C4 | H4 | 108.4° | 110.9° |
| C4 | C5 | H51C | 109.5° | 109.5° |
| C4 | C5 | H52C | 109.5° | 109.5° |
| C4 | C3 | H31C | 111.1° | 110.5° |
| C4 | C3 | H32C | 111.1° | 110.3° |
| C3 | C4 | H4 | 109.2° | 111.2° |
| O1 | C5 | H51C | 109.5° | 109.4° |
| O1 | C5 | H52C | 109.5° | 109.5° |
| C5 | O1 | H1 | 109.5° | 114.0° |
| C21 | C8 | C9 | 118.5° | 120.1° |
| C8 | C21 | C12 | 121.4° | 119.9° |
| C8 | C21 | H21 | 119.3° | 120.0° |
| C8 | C9 | C10 | 119.5° | 120.1° |
| C8 | C9 | H9 | 120.3° | 120.0° |
| C21 | C12 | C11 | 118.8° | 119.8° |
| C21 | C12 | N2 | 120.0° | 120.0° |
| C12 | C21 | H21 | 119.4° | 120.0° |
| C11 | C12 | N2 | 121.2° | 120.1° |
| C12 | C11 | CL | 116.9° | 120.0° |
| C12 | C11 | C10 | 124.2° | 119.9° |
| C12 | N2 | C13 | 119.9° | 120.0° |
| C12 | N2 | H2 | 120.0° | 119.9° |
| CL | C11 | C10 | 118.9° | 120.0° |
| C11 | C10 | C9 | 117.7° | 120.1° |
| C11 | C10 | H10 | 121.2° | 119.9° |
| C10 | C9 | H9 | 120.3° | 119.9° |
| C9 | C10 | H10 | 121.2° | 120.0° |
| N2 | C13 | O2 | 127.9° | 120.0° |
| N2 | C13 | C14 | 117.3° | 120.0° |
| C13 | N2 | H2 | 120.0° | 120.0° |
| O2 | C13 | C14 | 114.6° | 120.0° |
| C13 | C14 | C15 | 112.7° | 109.4° |
| C13 | C14 | H141 | 108.7° | 109.4° |
| C13 | C14 | H142 | 108.7° | 109.5° |
| C14 | C15 | C20 | 114.7° | 120.0° |
| C14 | C15 | C16 | 119.5° | 120.0° |
| C15 | C14 | H141 | 108.6° | 109.5° |
| C15 | C14 | H142 | 108.7° | 109.4° |
| C20 | C15 | C16 | 125.8° | 120.1° |
| C15 | C20 | C19 | 114.6° | 120.0° |
| C15 | C20 | H20 | 122.7° | 120.0° |
| C15 | C16 | C17 | 119.9° | 120.0° |
| C15 | C16 | H16 | 120.1° | 119.9° |
| C20 | C19 | C18 | 116.5° | 120.0° |
| C19 | C20 | H20 | 122.7° | 120.0° |
| C20 | C19 | H19 | 121.8° | 120.0° |
| C19 | C18 | F | 115.6° | 120.1° |
| C19 | C18 | C17 | 132.4° | 120.0° |
| C18 | C19 | H19 | 121.7° | 120.0° |
| F | C18 | C17 | 111.9° | 120.0° |
| C18 | C17 | C16 | 110.7° | 120.0° |
| C18 | C17 | H17 | 124.7° | 120.0° |
| C17 | C16 | H16 | 120.1° | 120.0° |
| C16 | C17 | H17 | 124.6° | 120.1° |
| H221 | C22 | H222 | 109.4° | 109.5° |
| HN1 | N | HN2 | 109.5° | 111.0° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H71C | C7 | H72C | 109.5° | 110.0° |
| H31C | C3 | H32C | 109.5° | 110.4° |
| H51C | C5 | H52C | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C26 | C25 | C27 | 177.6° | 179.7° |
| CL1 | C26 | C25 | C24 | 179.0° | 180.0° |
| CL1 | C26 | C27 | C28 | 179.3° | 180.0° |
| CL1 | C26 | C25 | H25 | 1.0° | 0.0° |
| CL1 | C26 | C27 | H27 | 0.7° | 0.0° |
| C26 | C25 | C24 | H25 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 2.9° | 0.0° |
| C25 | C26 | C27 | C28 | 3.1° | 0.3° |
| C25 | C26 | C27 | H27 | 176.9° | 179.7° |
| C26 | C25 | C24 | H24 | 177.1° | 180.0° |
| C27 | C26 | C25 | C24 | 1.5° | 0.3° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C23 | 0.4° | 0.0° |
| C27 | C26 | C25 | H25 | 178.5° | 179.7° |
| C26 | C27 | C28 | H28 | 179.6° | 180.0° |
| C25 | C24 | C23 | H24 | 180.0° | 180.0° |
| C25 | C24 | C23 | C28 | 5.5° | 0.2° |
| C25 | C24 | C23 | C22 | 179.6° | 180.0° |
| C24 | C23 | C28 | C27 | 3.8° | 0.2° |
| C24 | C23 | C28 | C22 | 174.8° | 179.7° |
| C24 | C23 | C22 | C | 116.8° | 90.0° |
| C23 | C24 | C25 | H25 | 177.1° | 180.0° |
| C24 | C23 | C28 | H28 | 176.2° | 179.7° |
| C24 | C23 | C22 | H221 | 122.8° | 150.0° |
| C24 | C23 | C22 | H222 | 3.7° | 30.0° |
| C27 | C28 | C23 | H28 | 180.0° | 180.0° |
| C27 | C28 | C23 | C22 | 178.6° | 180.0° |
| C28 | C23 | C22 | C | 58.0° | 89.7° |
| C23 | C28 | C27 | H27 | 179.6° | 180.0° |
| C28 | C23 | C24 | H24 | 174.5° | 179.7° |
| C28 | C23 | C22 | H221 | 62.4° | 30.3° |
| C28 | C23 | C22 | H222 | 178.5° | 150.3° |
| C23 | C22 | C | H221 | 120.4° | 120.0° |
| C23 | C22 | C | H222 | 120.4° | 120.0° |
| C23 | C22 | C | N | 170.9° | 65.0° |
| C23 | C22 | C | C1 | 64.8° | 175.0° |
| C22 | C23 | C24 | H24 | 0.4° | 0.0° |
| C22 | C23 | C28 | H28 | 1.4° | 0.0° |
| C23 | C22 | H221 | H222 | 118.7° | 120.0° |
| C23 | C22 | C | H | 55.2° | 55.0° |
| C22 | C | N | C1 | 124.9° | 120.0° |
| C22 | C | N | H | 115.2° | 120.0° |
| C22 | C | C1 | H | 119.8° | 120.0° |
| C22 | C | C1 | C2 | 93.2° | 175.0° |
| C | C22 | H221 | H222 | 118.7° | 120.0° |
| C22 | C | N | HN1 | 180.0° | 60.0° |
| C22 | C | N | HN2 | 60.0° | 176.0° |
| C22 | C | C1 | H11C | 146.7° | 65.1° |
| C22 | C | C1 | H12C | 26.8° | 55.0° |
| N | C | C1 | H | 120.2° | 120.0° |
| N | C | C1 | C2 | 146.8° | 65.0° |
| N | C | C22 | H221 | 50.5° | 55.0° |
| N | C | C22 | H222 | 68.6° | 175.0° |
| C | N | HN1 | HN2 | 120.0° | 124.0° |
| N | C | C1 | H11C | 26.7° | 55.0° |
| N | C | C1 | H12C | 93.1° | 175.0° |
| C | C1 | C2 | H11C | 120.1° | 120.0° |
| C | C1 | C2 | H12C | 120.1° | 120.0° |
| C | C1 | C2 | O | 56.2° | 0.1° |
| C | C1 | C2 | N1 | 121.4° | 180.0° |
| C1 | C | C22 | H221 | 174.8° | 65.0° |
| C1 | C | C22 | H222 | 55.7° | 54.9° |
| C1 | C | N | HN1 | 55.2° | 60.0° |
| C1 | C | N | HN2 | 175.1° | 63.9° |
| C | C1 | H11C | H12C | 119.7° | 120.0° |
| C1 | C2 | O | N1 | 177.7° | 180.0° |
| C1 | C2 | N1 | C7 | 178.0° | 180.0° |
| C1 | C2 | N1 | C3 | 8.8° | 0.3° |
| C2 | C1 | C | H | 26.6° | 55.0° |
| C2 | C1 | H11C | H12C | 119.7° | 120.0° |
| O | C2 | N1 | C7 | 4.6° | 0.0° |
| O | C2 | N1 | C3 | 173.7° | 179.7° |
| O | C2 | C1 | H11C | 63.9° | 120.0° |
| O | C2 | C1 | H12C | 176.3° | 119.9° |
| C2 | N1 | C7 | C3 | 170.2° | 179.8° |
| C2 | N1 | C7 | C6 | 159.4° | 179.0° |
| C2 | N1 | C3 | C4 | 178.1° | 155.8° |
| N1 | C2 | C1 | H11C | 118.5° | 60.0° |
| N1 | C2 | C1 | H12C | 1.3° | 60.0° |
| C2 | N1 | C7 | H71C | 81.3° | 59.6° |
| C2 | N1 | C7 | H72C | 40.1° | 61.6° |
| C2 | N1 | C3 | H31C | 63.0° | 85.3° |
| C2 | N1 | C3 | H32C | 59.2° | 37.1° |
| N1 | C7 | C6 | H71C | 119.3° | 119.4° |
| N1 | C7 | C6 | H72C | 119.3° | 119.4° |
| N1 | C7 | C6 | C4 | 28.8° | 22.2° |
| N1 | C7 | C6 | C8 | 150.0° | 140.6° |
| C7 | N1 | C3 | C4 | 11.3° | 24.5° |
| N1 | C7 | H71C | H72C | 122.2° | 121.1° |
| C7 | N1 | C3 | H31C | 107.6° | 94.5° |
| C7 | N1 | C3 | H32C | 130.2° | 143.2° |
| N1 | C7 | C6 | H6 | 88.6° | 96.2° |
| C3 | N1 | C7 | C6 | 10.8° | 1.3° |
| N1 | C3 | C4 | C6 | 29.2° | 37.3° |
| N1 | C3 | C4 | C5 | 151.2° | 155.3° |
| N1 | C3 | C4 | H31C | 118.9° | 118.9° |
| N1 | C3 | C4 | H32C | 118.9° | 118.7° |
| C3 | N1 | C7 | H71C | 108.5° | 120.7° |
| C3 | N1 | C7 | H72C | 130.1° | 118.1° |
| N1 | C3 | H31C | H32C | 123.1° | 122.3° |
| N1 | C3 | C4 | H4 | 88.1° | 80.8° |
| C7 | C6 | C4 | C8 | 120.0° | 118.4° |
| C7 | C6 | C4 | H6 | 117.4° | 118.4° |
| C7 | C6 | C8 | H6 | 121.5° | 123.2° |
| C7 | C6 | C4 | C5 | 159.1° | 153.5° |
| C7 | C6 | C4 | C3 | 36.3° | 35.7° |
| C7 | C6 | C8 | C21 | 82.6° | 121.4° |
| C7 | C6 | C8 | C9 | 99.5° | 58.8° |
| C6 | C7 | H71C | H72C | 122.2° | 121.1° |
| C7 | C6 | C4 | H4 | 80.9° | 82.6° |
| C4 | C6 | C8 | H6 | 122.7° | 123.3° |
| C6 | C4 | C5 | C3 | 118.2° | 112.0° |
| C6 | C4 | C5 | H4 | 120.6° | 123.9° |
| C6 | C4 | C3 | H4 | 117.3° | 118.2° |
| C6 | C4 | C5 | O1 | 57.0° | 175.0° |
| C4 | C6 | C8 | C21 | 33.2° | 125.0° |
| C4 | C6 | C8 | C9 | 144.7° | 54.7° |
| C4 | C6 | C7 | H71C | 90.5° | 97.2° |
| C4 | C6 | C7 | H72C | 148.0° | 141.6° |
| C6 | C4 | C3 | H31C | 89.8° | 81.5° |
| C6 | C4 | C3 | H32C | 148.1° | 156.1° |
| C6 | C4 | C5 | H51C | 177.0° | 55.1° |
| C6 | C4 | C5 | H52C | 62.9° | 65.0° |
| C8 | C6 | C4 | C5 | 80.9° | 88.1° |
| C8 | C6 | C4 | C3 | 156.3° | 154.1° |
| C6 | C8 | C21 | C9 | 177.8° | 179.7° |
| C6 | C8 | C21 | C12 | 179.2° | 180.0° |
| C6 | C8 | C9 | C10 | 179.0° | 179.7° |
| C8 | C6 | C7 | H71C | 30.7° | 21.1° |
| C8 | C6 | C7 | H72C | 90.7° | 100.0° |
| C8 | C6 | C4 | H4 | 39.1° | 35.8° |
| C6 | C8 | C21 | H21 | 0.8° | 0.0° |
| C6 | C8 | C9 | H9 | 1.0° | 0.0° |
| C5 | C4 | C3 | H4 | 120.7° | 123.9° |
| C4 | C5 | O1 | H51C | 120.0° | 120.0° |
| C4 | C5 | O1 | H52C | 120.0° | 120.1° |
| C5 | C4 | C3 | H31C | 32.3° | 36.4° |
| C5 | C4 | C3 | H32C | 89.9° | 86.0° |
| C5 | C4 | C6 | H6 | 41.8° | 35.2° |
| C4 | C5 | H51C | H52C | 120.1° | 120.1° |
| C4 | C5 | O1 | H1 | 180.0° | 179.9° |
| C3 | C4 | C5 | O1 | 61.1° | 73.0° |
| C4 | C3 | H31C | H32C | 123.1° | 122.3° |
| C3 | C4 | C6 | H6 | 81.1° | 82.6° |
| C3 | C4 | C5 | H51C | 58.8° | 167.0° |
| C3 | C4 | C5 | H52C | 178.9° | 47.0° |
| O1 | C5 | C4 | H4 | 177.7° | 51.1° |
| O1 | C5 | H51C | H52C | 120.1° | 119.9° |
| C8 | C21 | C12 | H21 | 180.0° | 180.0° |
| C8 | C21 | C12 | C11 | 0.2° | 0.0° |
| C8 | C21 | C12 | N2 | 178.7° | 180.0° |
| C21 | C8 | C9 | C10 | 2.9° | 0.5° |
| C21 | C8 | C6 | H6 | 155.9° | 1.8° |
| C21 | C8 | C9 | H9 | 177.1° | 179.8° |
| C9 | C8 | C21 | C12 | 1.4° | 0.3° |
| C8 | C9 | C10 | C11 | 2.7° | 0.5° |
| C8 | C9 | C10 | H9 | 180.0° | 179.7° |
| C9 | C8 | C6 | H6 | 22.0° | 177.9° |
| C9 | C8 | C21 | H21 | 178.6° | 179.7° |
| C8 | C9 | C10 | H10 | 177.3° | 179.7° |
| C21 | C12 | C11 | N2 | 178.9° | 180.0° |
| C21 | C12 | C11 | CL | 179.3° | 180.0° |
| C21 | C12 | C11 | C10 | 0.4° | 0.0° |
| C21 | C12 | N2 | C13 | 94.2° | 24.8° |
| C21 | C12 | N2 | H2 | 85.8° | 155.2° |
| C12 | C11 | CL | C10 | 179.7° | 180.0° |
| C12 | C11 | C10 | C9 | 1.1° | 0.3° |
| C11 | C12 | N2 | C13 | 84.6° | 155.2° |
| C11 | C12 | C21 | H21 | 179.8° | 180.0° |
| C11 | C12 | N2 | H2 | 95.4° | 24.8° |
| C12 | C11 | C10 | H10 | 178.9° | 179.9° |
| N2 | C12 | C11 | CL | 1.8° | 0.0° |
| N2 | C12 | C11 | C10 | 178.5° | 180.0° |
| C12 | N2 | C13 | H2 | 180.0° | 180.0° |
| C12 | N2 | C13 | O2 | 9.3° | 5.5° |
| C12 | N2 | C13 | C14 | 175.3° | 174.5° |
| N2 | C12 | C21 | H21 | 1.3° | 0.0° |
| CL | C11 | C10 | C9 | 179.2° | 179.7° |
| CL | C11 | C10 | H10 | 0.8° | 0.1° |
| C11 | C10 | C9 | H10 | 180.0° | 179.8° |
| C11 | C10 | C9 | H9 | 177.3° | 179.8° |
| N2 | C13 | O2 | C14 | 175.4° | 179.9° |
| N2 | C13 | C14 | C15 | 107.3° | 180.0° |
| N2 | C13 | C14 | H141 | 13.1° | 60.1° |
| N2 | C13 | C14 | H142 | 132.2° | 60.0° |
| O2 | C13 | C14 | C15 | 68.6° | 0.0° |
| O2 | C13 | N2 | H2 | 170.7° | 174.5° |
| O2 | C13 | C14 | H141 | 170.9° | 120.0° |
| O2 | C13 | C14 | H142 | 51.9° | 119.9° |
| C13 | C14 | C15 | H141 | 120.5° | 119.9° |
| C13 | C14 | C15 | H142 | 120.5° | 120.0° |
| C13 | C14 | C15 | C20 | 98.7° | 90.0° |
| C13 | C14 | C15 | C16 | 81.3° | 90.3° |
| C14 | C13 | N2 | H2 | 4.7° | 5.5° |
| C13 | C14 | H141 | H142 | 118.5° | 120.1° |
| C14 | C15 | C20 | C16 | 179.9° | 179.7° |
| C14 | C15 | C20 | C19 | 179.0° | 180.0° |
| C14 | C15 | C16 | C17 | 178.3° | 179.7° |
| C15 | C14 | H141 | H142 | 118.5° | 120.0° |
| C14 | C15 | C20 | H20 | 1.0° | 0.0° |
| C14 | C15 | C16 | H16 | 1.7° | 0.0° |
| C15 | C20 | C19 | H20 | 180.0° | 180.0° |
| C15 | C20 | C19 | C18 | 1.4° | 0.0° |
| C20 | C15 | C16 | C17 | 1.6° | 0.6° |
| C20 | C15 | C14 | H141 | 21.8° | 30.0° |
| C20 | C15 | C14 | H142 | 140.8° | 150.0° |
| C20 | C15 | C16 | H16 | 178.4° | 179.7° |
| C15 | C20 | C19 | H19 | 178.6° | 179.9° |
| C16 | C15 | C20 | C19 | 0.9° | 0.3° |
| C15 | C16 | C17 | C18 | 2.5° | 0.6° |
| C15 | C16 | C17 | H16 | 180.0° | 179.7° |
| C16 | C15 | C14 | H141 | 158.3° | 149.8° |
| C16 | C15 | C14 | H142 | 39.2° | 29.7° |
| C16 | C15 | C20 | H20 | 179.1° | 179.7° |
| C15 | C16 | C17 | H17 | 177.4° | 179.7° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| C20 | C19 | C18 | F | 179.5° | 180.0° |
| C20 | C19 | C18 | C17 | 3.2° | 0.0° |
| C19 | C18 | F | C17 | 177.1° | 180.0° |
| C19 | C18 | C17 | C16 | 3.6° | 0.3° |
| C18 | C19 | C20 | H20 | 178.6° | 180.0° |
| C19 | C18 | C17 | H17 | 176.3° | 180.0° |
| F | C18 | C17 | C16 | 179.9° | 179.7° |
| F | C18 | C19 | H19 | 0.5° | 0.1° |
| F | C18 | C17 | H17 | 0.1° | 0.0° |
| C18 | C17 | C16 | H17 | 180.0° | 179.7° |
| C18 | C17 | C16 | H16 | 177.5° | 179.7° |
| C17 | C18 | C19 | H19 | 176.8° | 180.0° |
| H25 | C25 | C24 | H24 | 2.9° | 0.1° |
| H27 | C27 | C28 | H28 | 0.4° | 0.0° |
| H221 | C22 | C | H | 65.2° | 175.0° |
| H222 | C22 | C | H | 175.7° | 65.0° |
| H | C | N | HN1 | 64.8° | 180.0° |
| H | C | N | HN2 | 55.2° | 56.0° |
| H | C | C1 | H11C | 93.5° | 175.0° |
| H | C | C1 | H12C | 146.6° | 65.0° |
| H71C | C7 | C6 | H6 | 152.1° | 144.4° |
| H72C | C7 | C6 | H6 | 30.7° | 23.2° |
| H31C | C3 | C4 | H4 | 153.0° | 160.3° |
| H32C | C3 | C4 | H4 | 30.8° | 37.9° |
| H6 | C6 | C4 | H4 | 161.8° | 159.0° |
| H4 | C4 | C5 | H51C | 62.4° | 68.9° |
| H4 | C4 | C5 | H52C | 57.7° | 171.1° |
| H51C | C5 | O1 | H1 | 60.0° | 60.0° |
| H52C | C5 | O1 | H1 | 60.0° | 60.0° |
| H9 | C9 | C10 | H10 | 2.7° | 0.1° |
| H20 | C20 | C19 | H19 | 1.4° | 0.0° |
| H16 | C16 | C17 | H17 | 2.6° | 0.0° |
