A1EJF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | N4 | sing | 1.32Å | 1.33Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.53Å | 1.50Å | |
| C29 | C18 | sing | 1.53Å | 1.53Å | |
| N4 | C26 | doub | 1.32Å | 1.34Å | Aromatic |
| C28 | N3 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.53Å | 1.50Å | |
| C16 | N2 | sing | 1.47Å | 1.46Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C23 | N3 | sing | 1.39Å | 1.40Å | |
| C23 | C27 | doub | 1.40Å | 1.39Å | Aromatic |
| O1 | C1 | doub | 1.22Å | 1.22Å | |
| N3 | C22 | sing | 1.47Å | 1.46Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C21 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | C1 | sing | 1.35Å | 1.34Å | |
| N2 | C20 | sing | 1.47Å | 1.46Å | |
| C19 | C20 | sing | 1.53Å | 1.48Å | |
| C1 | C2 | sing | 1.48Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C2 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C7 | N1 | sing | 1.47Å | 1.47Å | |
| C8 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | N1 | sing | 1.40Å | 1.42Å | |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| N1 | C14 | sing | 1.34Å | 1.37Å | |
| C13 | C14 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | doub | 1.40Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | O2 | doub | 1.22Å | 1.21Å | |
| C12 | CL1 | sing | 1.73Å | 1.71Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C9 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C25 | N4 | 123.7° | 120.8° |
| C25 | C24 | C23 | 118.9° | 119.1° |
| C25 | C24 | H22 | 120.6° | 120.5° |
| C24 | C25 | H23 | 118.1° | 119.6° |
| C25 | N4 | C26 | 117.0° | 121.9° |
| N4 | C25 | H23 | 118.2° | 119.6° |
| C24 | C23 | N3 | 121.0° | 120.9° |
| C24 | C23 | C27 | 117.9° | 118.3° |
| C23 | C24 | H22 | 120.5° | 120.5° |
| C28 | C29 | C18 | 111.2° | 109.2° |
| C29 | C28 | N3 | 110.2° | 109.5° |
| C29 | C28 | H27 | 109.3° | 109.5° |
| C29 | C28 | H26 | 109.3° | 109.4° |
| C28 | C29 | H29 | 109.1° | 109.5° |
| C28 | C29 | H28 | 109.1° | 109.5° |
| C29 | C18 | C17 | 111.2° | 109.5° |
| C29 | C18 | C19 | 109.7° | 109.5° |
| C29 | C18 | C21 | 107.7° | 109.2° |
| C18 | C29 | H29 | 109.0° | 109.5° |
| C18 | C29 | H28 | 109.0° | 109.5° |
| N4 | C26 | C27 | 123.8° | 120.9° |
| N4 | C26 | H24 | 118.1° | 119.6° |
| C28 | N3 | C23 | 125.0° | 110.9° |
| C28 | N3 | C22 | 110.9° | 111.2° |
| N3 | C28 | H27 | 109.3° | 109.5° |
| N3 | C28 | H26 | 109.3° | 109.5° |
| C17 | C16 | N2 | 111.2° | 108.8° |
| C16 | C17 | C18 | 113.5° | 109.3° |
| C17 | C16 | H10 | 109.0° | 109.6° |
| C17 | C16 | H11 | 109.0° | 109.6° |
| C16 | C17 | H12 | 108.5° | 109.5° |
| C16 | C17 | H13 | 108.4° | 109.5° |
| C16 | N2 | C1 | 121.3° | 120.7° |
| C16 | N2 | C20 | 113.3° | 118.7° |
| N2 | C16 | H10 | 109.0° | 109.6° |
| N2 | C16 | H11 | 109.0° | 109.5° |
| C17 | C18 | C19 | 107.7° | 109.7° |
| C17 | C18 | C21 | 109.7° | 109.5° |
| C18 | C17 | H12 | 108.4° | 109.5° |
| C18 | C17 | H13 | 108.5° | 109.5° |
| N3 | C23 | C27 | 121.1° | 120.8° |
| C23 | N3 | C22 | 124.1° | 111.0° |
| C23 | C27 | C26 | 118.7° | 119.0° |
| C23 | C27 | H25 | 120.7° | 120.5° |
| O1 | C1 | N2 | 121.8° | 120.0° |
| O1 | C1 | C2 | 118.4° | 120.0° |
| N3 | C22 | C21 | 111.3° | 109.5° |
| N3 | C22 | H20 | 109.0° | 109.5° |
| N3 | C22 | H21 | 109.0° | 109.4° |
| C19 | C18 | C21 | 110.8° | 109.5° |
| C18 | C19 | C20 | 109.9° | 109.4° |
| C18 | C19 | H15 | 109.3° | 109.5° |
| C18 | C19 | H14 | 109.3° | 109.5° |
| C18 | C21 | C22 | 111.9° | 109.3° |
| C18 | C21 | H18 | 108.8° | 109.5° |
| C18 | C21 | H19 | 108.8° | 109.6° |
| C27 | C26 | H24 | 118.1° | 119.5° |
| C26 | C27 | H25 | 120.6° | 120.5° |
| C1 | N2 | C20 | 125.0° | 120.6° |
| N2 | C1 | C2 | 119.8° | 120.0° |
| N2 | C20 | C19 | 108.8° | 108.8° |
| N2 | C20 | H16 | 109.6° | 109.6° |
| N2 | C20 | H17 | 109.6° | 109.7° |
| C20 | C19 | H15 | 109.4° | 109.5° |
| C20 | C19 | H14 | 109.4° | 109.5° |
| C19 | C20 | H16 | 109.6° | 109.6° |
| C19 | C20 | H17 | 109.7° | 109.5° |
| C1 | C2 | C15 | 116.2° | 120.1° |
| C1 | C2 | C3 | 124.2° | 120.1° |
| C22 | C21 | H18 | 108.9° | 109.5° |
| C22 | C21 | H19 | 108.9° | 109.5° |
| C21 | C22 | H20 | 109.0° | 109.5° |
| C21 | C22 | H21 | 109.0° | 109.5° |
| C15 | C2 | C3 | 119.6° | 119.8° |
| C2 | C15 | C6 | 120.7° | 119.7° |
| C2 | C15 | H9 | 119.6° | 120.1° |
| C2 | C3 | C4 | 120.0° | 120.0° |
| C2 | C3 | H1 | 120.0° | 120.0° |
| C8 | C9 | C10 | 119.4° | 120.0° |
| C9 | C8 | C7 | 131.5° | 133.3° |
| C9 | C8 | C13 | 119.4° | 120.3° |
| C8 | C9 | H6 | 120.3° | 120.0° |
| C9 | C10 | C11 | 121.2° | 120.2° |
| C9 | C10 | H7 | 119.4° | 119.9° |
| C10 | C9 | H6 | 120.3° | 120.0° |
| C15 | C6 | N1 | 118.2° | 120.0° |
| C15 | C6 | C5 | 119.3° | 120.0° |
| C6 | C15 | H9 | 119.7° | 120.2° |
| C8 | C7 | N1 | 102.9° | 106.2° |
| C7 | C8 | C13 | 109.1° | 106.4° |
| C8 | C7 | H4 | 111.1° | 110.1° |
| C8 | C7 | H5 | 111.1° | 110.1° |
| C7 | N1 | C6 | 121.1° | 125.6° |
| C7 | N1 | C14 | 111.7° | 108.8° |
| N1 | C7 | H4 | 111.1° | 110.1° |
| N1 | C7 | H5 | 111.1° | 110.1° |
| C8 | C13 | C14 | 109.2° | 108.3° |
| C8 | C13 | C12 | 120.6° | 119.4° |
| C10 | C11 | C12 | 118.7° | 120.3° |
| C11 | C10 | H7 | 119.4° | 119.9° |
| C10 | C11 | H8 | 120.7° | 119.9° |
| C3 | C4 | C5 | 120.9° | 120.2° |
| C4 | C3 | H1 | 120.0° | 120.0° |
| C3 | C4 | H2 | 119.6° | 119.9° |
| N1 | C6 | C5 | 122.5° | 120.0° |
| C6 | N1 | C14 | 127.2° | 125.6° |
| C6 | C5 | C4 | 119.6° | 120.2° |
| C6 | C5 | H3 | 120.2° | 119.8° |
| N1 | C14 | C13 | 107.0° | 110.3° |
| N1 | C14 | O2 | 126.2° | 124.9° |
| C14 | C13 | C12 | 130.1° | 132.3° |
| C13 | C14 | O2 | 126.7° | 124.8° |
| C13 | C12 | C11 | 120.7° | 119.7° |
| C13 | C12 | CL1 | 118.9° | 120.2° |
| C11 | C12 | CL1 | 120.4° | 120.1° |
| C12 | C11 | H8 | 120.7° | 119.8° |
| C5 | C4 | H2 | 119.6° | 119.9° |
| C4 | C5 | H3 | 120.2° | 119.9° |
| H10 | C16 | H11 | 109.5° | 109.8° |
| H12 | C17 | H13 | 109.4° | 109.5° |
| H15 | C19 | H14 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.6° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.4° | 109.5° |
| H27 | C28 | H26 | 109.5° | 109.5° |
| H29 | C29 | H28 | 109.5° | 109.6° |
| H4 | C7 | H5 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C25 | N4 | H23 | 180.0° | 179.9° |
| C25 | C24 | C23 | H22 | 180.0° | 180.0° |
| C24 | C25 | N4 | C26 | 0.1° | 0.2° |
| C25 | C24 | C23 | N3 | 179.7° | 180.0° |
| C25 | C24 | C23 | C27 | 0.5° | 0.2° |
| N4 | C25 | C24 | C23 | 0.5° | 0.1° |
| C25 | N4 | C26 | C27 | 0.3° | 0.2° |
| N4 | C25 | C24 | H22 | 179.5° | 180.0° |
| C25 | N4 | C26 | H24 | 179.7° | 179.7° |
| C24 | C23 | N3 | C28 | 10.0° | 0.3° |
| C24 | C23 | N3 | C27 | 179.2° | 179.8° |
| C24 | C23 | N3 | C22 | 168.1° | 124.5° |
| C24 | C23 | C27 | C26 | 0.2° | 0.2° |
| C23 | C24 | C25 | H23 | 179.5° | 180.0° |
| C24 | C23 | C27 | H25 | 179.8° | 179.8° |
| C28 | C29 | C18 | H29 | 120.3° | 119.9° |
| C28 | C29 | C18 | H28 | 120.3° | 120.0° |
| C29 | C28 | N3 | H27 | 120.1° | 120.0° |
| C29 | C28 | N3 | H26 | 120.1° | 120.0° |
| C28 | C29 | C18 | C17 | 175.6° | 177.6° |
| C29 | C28 | N3 | C23 | 121.4° | 174.1° |
| C29 | C28 | N3 | C22 | 60.2° | 61.8° |
| C28 | C29 | C18 | C19 | 65.4° | 62.2° |
| C28 | C29 | C18 | C21 | 55.3° | 57.7° |
| C29 | C28 | H27 | H26 | 119.7° | 120.0° |
| C28 | C29 | H29 | H28 | 119.2° | 120.2° |
| C18 | C29 | C28 | N3 | 59.5° | 59.2° |
| C29 | C18 | C17 | C16 | 93.0° | 178.6° |
| C29 | C18 | C17 | C19 | 120.3° | 120.2° |
| C29 | C18 | C17 | C21 | 119.1° | 119.7° |
| C29 | C18 | C19 | C21 | 118.8° | 119.7° |
| C29 | C18 | C19 | C20 | 156.5° | 178.6° |
| C29 | C18 | C21 | C22 | 53.6° | 57.6° |
| C29 | C18 | C17 | H12 | 27.6° | 61.5° |
| C29 | C18 | C17 | H13 | 146.4° | 58.6° |
| C29 | C18 | C19 | H15 | 36.4° | 61.5° |
| C29 | C18 | C19 | H14 | 83.4° | 58.6° |
| C29 | C18 | C21 | H18 | 66.8° | 62.3° |
| C29 | C18 | C21 | H19 | 174.0° | 177.6° |
| C18 | C29 | C28 | H27 | 60.6° | 60.8° |
| C18 | C29 | C28 | H26 | 179.7° | 179.2° |
| C18 | C29 | H29 | H28 | 119.2° | 120.1° |
| N4 | C26 | C27 | C23 | 0.2° | 0.0° |
| N4 | C26 | C27 | H24 | 180.0° | 179.9° |
| C26 | N4 | C25 | H23 | 180.0° | 179.8° |
| N4 | C26 | C27 | H25 | 179.8° | 180.0° |
| C28 | N3 | C23 | C22 | 178.2° | 124.2° |
| C28 | N3 | C23 | C27 | 170.8° | 180.0° |
| C28 | N3 | C22 | C21 | 58.8° | 61.7° |
| C28 | N3 | C22 | H20 | 61.5° | 178.3° |
| C28 | N3 | C22 | H21 | 179.1° | 58.3° |
| N3 | C28 | H27 | H26 | 119.7° | 120.0° |
| N3 | C28 | C29 | H29 | 60.7° | 179.0° |
| N3 | C28 | C29 | H28 | 179.8° | 60.8° |
| C17 | C16 | N2 | H10 | 120.3° | 119.8° |
| C17 | C16 | N2 | H11 | 120.2° | 119.7° |
| C16 | C17 | C18 | H12 | 120.6° | 119.9° |
| C16 | C17 | C18 | H13 | 120.6° | 120.0° |
| C16 | C17 | C18 | C19 | 27.3° | 61.2° |
| C16 | C17 | C18 | C21 | 147.9° | 58.9° |
| C17 | C16 | N2 | C1 | 163.1° | 126.4° |
| C17 | C16 | N2 | C20 | 23.2° | 53.6° |
| C17 | C16 | H10 | H11 | 119.2° | 120.4° |
| C16 | C17 | H12 | H13 | 118.1° | 120.0° |
| N2 | C16 | C17 | C18 | 59.7° | 54.6° |
| C16 | N2 | C1 | O1 | 20.8° | 176.2° |
| C16 | N2 | C1 | C20 | 172.9° | 180.0° |
| C16 | N2 | C20 | C19 | 39.5° | 53.6° |
| C16 | N2 | C1 | C2 | 159.6° | 3.8° |
| N2 | C16 | H10 | H11 | 119.2° | 120.3° |
| N2 | C16 | C17 | H12 | 179.6° | 65.4° |
| N2 | C16 | C17 | H13 | 60.9° | 174.5° |
| C16 | N2 | C20 | H16 | 80.4° | 173.4° |
| C16 | N2 | C20 | H17 | 159.4° | 66.2° |
| C17 | C18 | C19 | C21 | 120.0° | 120.1° |
| C17 | C18 | C19 | C20 | 35.3° | 61.2° |
| C17 | C18 | C21 | C22 | 174.8° | 177.5° |
| C18 | C17 | C16 | H10 | 180.0° | 65.2° |
| C18 | C17 | C16 | H11 | 60.5° | 174.2° |
| C18 | C17 | H12 | H13 | 118.1° | 120.1° |
| C17 | C18 | C19 | H15 | 84.8° | 58.7° |
| C17 | C18 | C19 | H14 | 155.4° | 178.8° |
| C17 | C18 | C21 | H18 | 54.5° | 57.6° |
| C17 | C18 | C21 | H19 | 64.8° | 62.5° |
| C17 | C18 | C29 | H29 | 55.3° | 62.5° |
| C17 | C18 | C29 | H28 | 64.2° | 57.6° |
| N3 | C23 | C27 | C26 | 179.4° | 180.0° |
| C23 | N3 | C22 | C21 | 122.8° | 174.2° |
| C23 | N3 | C22 | H20 | 116.9° | 54.2° |
| C23 | N3 | C22 | H21 | 2.5° | 65.8° |
| N3 | C23 | C24 | H22 | 0.3° | 0.0° |
| N3 | C23 | C27 | H25 | 0.6° | 0.0° |
| C23 | N3 | C28 | H27 | 118.5° | 65.9° |
| C23 | N3 | C28 | H26 | 1.3° | 54.1° |
| C27 | C23 | N3 | C22 | 11.1° | 55.8° |
| C23 | C27 | C26 | H25 | 180.0° | 180.0° |
| C27 | C23 | C24 | H22 | 179.5° | 179.8° |
| C23 | C27 | C26 | H24 | 179.8° | 179.9° |
| O1 | C1 | N2 | C2 | 179.5° | 179.9° |
| O1 | C1 | N2 | C20 | 152.1° | 3.7° |
| O1 | C1 | C2 | C15 | 29.3° | 50.7° |
| O1 | C1 | C2 | C3 | 150.4° | 129.2° |
| N3 | C22 | C21 | C18 | 56.3° | 59.1° |
| N3 | C22 | C21 | H20 | 120.3° | 120.0° |
| N3 | C22 | C21 | H21 | 120.3° | 120.0° |
| N3 | C22 | C21 | H18 | 64.0° | 60.8° |
| N3 | C22 | C21 | H19 | 176.7° | 179.1° |
| N3 | C22 | H20 | H21 | 119.2° | 120.0° |
| C22 | N3 | C28 | H27 | 59.8° | 58.2° |
| C22 | N3 | C28 | H26 | 179.6° | 178.2° |
| C18 | C19 | C20 | N2 | 72.6° | 54.6° |
| C18 | C19 | C20 | H15 | 120.1° | 119.9° |
| C18 | C19 | C20 | H14 | 120.1° | 120.0° |
| C19 | C18 | C21 | C22 | 66.4° | 62.2° |
| C19 | C18 | C17 | H12 | 147.9° | 58.7° |
| C19 | C18 | C17 | H13 | 93.3° | 178.8° |
| C18 | C19 | H15 | H14 | 119.8° | 120.1° |
| C18 | C19 | C20 | H16 | 47.3° | 174.4° |
| C18 | C19 | C20 | H17 | 167.5° | 65.3° |
| C19 | C18 | C21 | H18 | 173.2° | 177.8° |
| C19 | C18 | C21 | H19 | 53.9° | 57.7° |
| C19 | C18 | C29 | H29 | 174.3° | 57.7° |
| C19 | C18 | C29 | H28 | 54.9° | 177.9° |
| C21 | C18 | C19 | C20 | 84.7° | 58.9° |
| C18 | C21 | C22 | H18 | 120.4° | 120.0° |
| C18 | C21 | C22 | H19 | 120.4° | 120.0° |
| C21 | C18 | C17 | H12 | 91.5° | 178.8° |
| C21 | C18 | C17 | H13 | 27.3° | 61.1° |
| C21 | C18 | C19 | H15 | 155.2° | 178.8° |
| C21 | C18 | C19 | H14 | 35.4° | 61.1° |
| C18 | C21 | H18 | H19 | 118.9° | 120.1° |
| C18 | C21 | C22 | H20 | 63.9° | 179.1° |
| C18 | C21 | C22 | H21 | 176.6° | 60.9° |
| C21 | C18 | C29 | H29 | 65.0° | 177.6° |
| C21 | C18 | C29 | H28 | 175.5° | 62.3° |
| C1 | N2 | C20 | C19 | 133.9° | 126.4° |
| N2 | C1 | C2 | C15 | 150.2° | 129.3° |
| N2 | C1 | C2 | C3 | 30.1° | 50.9° |
| C1 | N2 | C16 | H10 | 42.8° | 113.8° |
| C1 | N2 | C16 | H11 | 76.7° | 6.7° |
| C1 | N2 | C20 | H16 | 106.2° | 6.6° |
| C1 | N2 | C20 | H17 | 14.0° | 113.8° |
| N2 | C20 | C19 | H16 | 119.9° | 119.8° |
| N2 | C20 | C19 | H17 | 119.9° | 119.9° |
| C20 | N2 | C1 | C2 | 27.4° | 176.2° |
| C20 | N2 | C16 | H10 | 143.5° | 66.2° |
| C20 | N2 | C16 | H11 | 97.0° | 173.4° |
| N2 | C20 | C19 | H15 | 47.4° | 65.4° |
| N2 | C20 | C19 | H14 | 167.3° | 174.6° |
| N2 | C20 | H16 | H17 | 120.3° | 120.5° |
| C20 | C19 | H15 | H14 | 119.8° | 120.1° |
| C19 | C20 | H16 | H17 | 120.3° | 120.2° |
| C1 | C2 | C15 | C3 | 179.7° | 179.9° |
| C1 | C2 | C15 | C6 | 179.6° | 180.0° |
| C1 | C2 | C3 | C4 | 179.7° | 180.0° |
| C1 | C2 | C15 | H9 | 0.4° | 0.4° |
| C1 | C2 | C3 | H1 | 0.3° | 0.0° |
| C22 | C21 | H18 | H19 | 118.9° | 120.1° |
| C21 | C22 | H20 | H21 | 119.2° | 120.0° |
| C2 | C15 | C6 | H9 | 180.0° | 179.6° |
| C15 | C2 | C3 | C4 | 0.6° | 0.1° |
| C2 | C15 | C6 | N1 | 179.5° | 179.7° |
| C2 | C15 | C6 | C5 | 0.5° | 0.1° |
| C15 | C2 | C3 | H1 | 179.4° | 179.9° |
| C3 | C2 | C15 | C6 | 0.6° | 0.1° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.1° |
| C3 | C2 | C15 | H9 | 179.4° | 179.7° |
| C2 | C3 | C4 | H2 | 179.4° | 180.0° |
| C8 | C9 | C10 | H6 | 180.0° | 179.8° |
| C9 | C8 | C7 | C13 | 178.2° | 179.7° |
| C9 | C8 | C7 | N1 | 179.0° | 179.7° |
| C8 | C9 | C10 | C11 | 0.9° | 0.5° |
| C9 | C8 | C13 | C14 | 178.9° | 179.7° |
| C9 | C8 | C13 | C12 | 2.0° | 0.2° |
| C8 | C9 | C10 | H7 | 179.0° | 179.7° |
| C9 | C8 | C7 | H4 | 60.1° | 60.5° |
| C9 | C8 | C7 | H5 | 62.0° | 61.1° |
| C10 | C9 | C8 | C7 | 179.8° | 179.8° |
| C10 | C9 | C8 | C13 | 1.7° | 0.5° |
| C9 | C10 | C11 | H7 | 180.0° | 179.8° |
| C9 | C10 | C11 | C12 | 0.4° | 0.2° |
| C9 | C10 | C11 | H8 | 179.6° | 179.7° |
| C15 | C6 | N1 | C7 | 10.3° | 180.0° |
| C15 | C6 | N1 | C5 | 180.0° | 179.8° |
| C15 | C6 | N1 | C14 | 168.9° | 0.2° |
| C15 | C6 | C5 | C4 | 0.4° | 0.0° |
| C15 | C6 | C5 | H3 | 179.6° | 179.9° |
| C8 | C7 | N1 | H4 | 119.0° | 119.2° |
| C8 | C7 | N1 | H5 | 118.9° | 119.2° |
| C8 | C7 | N1 | C6 | 179.2° | 179.9° |
| C8 | C7 | N1 | C14 | 1.5° | 0.1° |
| C7 | C8 | C13 | C14 | 2.6° | 0.0° |
| C7 | C8 | C13 | C12 | 179.5° | 180.0° |
| C8 | C7 | H4 | H5 | 123.0° | 121.6° |
| C7 | C8 | C9 | H6 | 0.2° | 0.0° |
| N1 | C7 | C8 | C13 | 0.8° | 0.0° |
| C7 | N1 | C6 | C14 | 179.3° | 179.8° |
| C7 | N1 | C6 | C5 | 169.7° | 0.2° |
| C7 | N1 | C14 | C13 | 3.0° | 0.1° |
| C7 | N1 | C14 | O2 | 173.0° | 180.0° |
| N1 | C7 | H4 | H5 | 123.0° | 121.6° |
| C8 | C13 | C14 | N1 | 3.5° | 0.1° |
| C8 | C13 | C14 | C12 | 176.5° | 180.0° |
| C8 | C13 | C12 | C11 | 1.5° | 0.1° |
| C8 | C13 | C14 | O2 | 172.5° | 180.0° |
| C8 | C13 | C12 | CL1 | 179.6° | 180.0° |
| C13 | C8 | C7 | H4 | 118.2° | 119.2° |
| C13 | C8 | C7 | H5 | 119.7° | 119.2° |
| C13 | C8 | C9 | H6 | 178.3° | 179.7° |
| C10 | C11 | C12 | C13 | 0.7° | 0.1° |
| C10 | C11 | C12 | H8 | 180.0° | 179.9° |
| C10 | C11 | C12 | CL1 | 178.7° | 180.0° |
| C11 | C10 | C9 | H6 | 179.1° | 179.7° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | H3 | 179.5° | 179.9° |
| C6 | N1 | C14 | C13 | 177.6° | 179.9° |
| N1 | C6 | C5 | C4 | 179.6° | 179.8° |
| C6 | N1 | C14 | O2 | 6.4° | 0.2° |
| N1 | C6 | C15 | H9 | 0.5° | 0.1° |
| N1 | C6 | C5 | H3 | 0.4° | 0.3° |
| C6 | N1 | C7 | H4 | 60.2° | 60.7° |
| C6 | N1 | C7 | H5 | 61.9° | 60.9° |
| C5 | C6 | N1 | C14 | 11.0° | 179.6° |
| C6 | C5 | C4 | H3 | 180.0° | 179.9° |
| C5 | C6 | C15 | H9 | 179.4° | 179.7° |
| C6 | C5 | C4 | H2 | 179.5° | 180.0° |
| N1 | C14 | C13 | O2 | 176.0° | 179.9° |
| N1 | C14 | C13 | C12 | 180.0° | 180.0° |
| C14 | N1 | C7 | H4 | 120.5° | 119.2° |
| C14 | N1 | C7 | H5 | 117.5° | 119.3° |
| C14 | C13 | C12 | C11 | 177.7° | 180.0° |
| C14 | C13 | C12 | CL1 | 4.3° | 0.0° |
| C13 | C12 | C11 | CL1 | 178.0° | 180.0° |
| C12 | C13 | C14 | O2 | 4.0° | 0.0° |
| C13 | C12 | C11 | H8 | 179.3° | 180.0° |
| C12 | C11 | C10 | H7 | 179.6° | 180.0° |
| C5 | C4 | C3 | H1 | 179.5° | 180.0° |
| CL1 | C12 | C11 | H8 | 1.2° | 0.0° |
| H7 | C10 | C11 | H8 | 0.5° | 0.1° |
| H7 | C10 | C9 | H6 | 1.0° | 0.1° |
| H10 | C16 | C17 | H12 | 59.4° | 174.8° |
| H10 | C16 | C17 | H13 | 59.4° | 54.8° |
| H11 | C16 | C17 | H12 | 60.1° | 54.3° |
| H11 | C16 | C17 | H13 | 178.9° | 65.8° |
| H15 | C19 | C20 | H16 | 167.4° | 54.4° |
| H15 | C19 | C20 | H17 | 72.5° | 174.7° |
| H14 | C19 | C20 | H16 | 72.8° | 65.6° |
| H14 | C19 | C20 | H17 | 47.4° | 54.7° |
| H18 | C21 | C22 | H20 | 175.7° | 59.2° |
| H18 | C21 | C22 | H21 | 56.3° | 179.2° |
| H19 | C21 | C22 | H20 | 56.4° | 60.8° |
| H19 | C21 | C22 | H21 | 63.0° | 59.2° |
| H22 | C24 | C25 | H23 | 0.5° | 0.0° |
| H24 | C26 | C27 | H25 | 0.2° | 0.0° |
| H27 | C28 | C29 | H29 | 179.2° | 59.1° |
| H27 | C28 | C29 | H28 | 59.7° | 179.2° |
| H26 | C28 | C29 | H29 | 59.4° | 60.9° |
| H26 | C28 | C29 | H28 | 60.1° | 59.2° |
| H1 | C3 | C4 | H2 | 0.6° | 0.0° |
| H2 | C4 | C5 | H3 | 0.5° | 0.0° |
