XWA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | N33 | doub | 1.32Å | 1.34Å | Aromatic |
| C12 | N34 | sing | 1.32Å | 1.33Å | Aromatic |
| N33 | C21 | sing | 1.33Å | 1.33Å | Aromatic |
| C29 | C14 | sing | 1.51Å | 1.50Å | |
| N34 | C22 | doub | 1.33Å | 1.34Å | Aromatic |
| C3 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | N37 | sing | 1.39Å | 1.42Å | |
| C21 | C11 | doub | 1.39Å | 1.37Å | Aromatic |
| N37 | C16 | sing | 1.40Å | 1.38Å | |
| C1 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | N38 | sing | 1.40Å | 1.40Å | |
| C18 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C22 | N39 | sing | 1.39Å | 1.42Å | |
| N38 | C23 | sing | 1.35Å | 1.36Å | |
| C16 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C28 | sing | 1.51Å | 1.50Å | |
| C5 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C23 | N39 | sing | 1.35Å | 1.39Å | |
| C23 | O40 | doub | 1.22Å | 1.22Å | |
| N39 | C17 | sing | 1.40Å | 1.41Å | |
| C6 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | N35 | sing | 1.40Å | 1.43Å | |
| C17 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | N35 | sing | 1.47Å | 1.46Å | |
| C24 | C26 | sing | 1.53Å | 1.52Å | |
| O42 | C20 | sing | 1.36Å | 1.40Å | |
| O42 | C32 | sing | 1.43Å | 1.42Å | |
| N35 | C25 | sing | 1.47Å | 1.45Å | |
| C20 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C26 | N36 | sing | 1.47Å | 1.45Å | |
| C25 | C27 | sing | 1.53Å | 1.53Å | |
| C10 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | O41 | sing | 1.36Å | 1.37Å | |
| C27 | N36 | sing | 1.47Å | 1.46Å | |
| N36 | C30 | sing | 1.47Å | 1.45Å | |
| C31 | O41 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C30 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C4 | H23 | sing | 1.08Å | 1.08Å | |
| C5 | H24 | sing | 1.08Å | 1.08Å | |
| C6 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| N37 | H37 | sing | 0.97Å | 1.00Å | |
| N38 | H38 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N33 | C12 | N34 | 125.3° | 121.9° |
| C12 | N33 | C21 | 117.9° | 120.9° |
| N33 | C12 | H9 | 117.3° | 119.1° |
| C12 | N34 | C22 | 116.6° | 120.9° |
| N34 | C12 | H9 | 117.4° | 119.1° |
| N33 | C21 | N37 | 117.1° | 120.5° |
| N33 | C21 | C11 | 120.8° | 119.0° |
| C29 | C14 | C3 | 119.6° | 120.0° |
| C29 | C14 | C18 | 122.1° | 120.0° |
| C14 | C29 | H33 | 109.5° | 109.5° |
| C14 | C29 | H34 | 109.5° | 109.5° |
| C14 | C29 | H35 | 109.5° | 109.5° |
| N34 | C22 | C11 | 121.8° | 119.1° |
| N34 | C22 | N39 | 119.1° | 120.4° |
| C14 | C3 | C1 | 121.3° | 120.0° |
| C3 | C14 | C18 | 118.4° | 120.0° |
| C14 | C3 | H3 | 119.3° | 120.0° |
| C3 | C1 | C2 | 120.1° | 120.1° |
| C3 | C1 | H1 | 119.9° | 119.9° |
| C1 | C3 | H3 | 119.4° | 120.0° |
| C14 | C18 | N38 | 118.2° | 120.1° |
| C14 | C18 | C13 | 120.6° | 119.8° |
| N37 | C21 | C11 | 122.0° | 120.5° |
| C21 | N37 | C16 | 124.4° | 120.0° |
| C21 | N37 | H37 | 117.8° | 120.0° |
| C21 | C11 | C22 | 117.6° | 118.3° |
| C21 | C11 | H8 | 121.2° | 120.9° |
| N37 | C16 | C7 | 119.3° | 120.0° |
| N37 | C16 | C6 | 120.3° | 120.0° |
| C16 | N37 | H37 | 117.8° | 120.0° |
| C1 | C2 | C13 | 119.2° | 120.1° |
| C2 | C1 | H1 | 119.9° | 120.0° |
| C1 | C2 | H2 | 120.4° | 119.9° |
| C16 | C7 | C5 | 117.3° | 120.0° |
| C7 | C16 | C6 | 120.3° | 120.0° |
| C16 | C7 | H4 | 121.4° | 120.0° |
| C7 | C5 | C15 | 122.8° | 120.0° |
| C5 | C7 | H4 | 121.3° | 120.0° |
| C7 | C5 | H24 | 118.6° | 120.0° |
| N38 | C18 | C13 | 121.2° | 120.1° |
| C18 | N38 | C23 | 117.6° | 120.0° |
| C18 | N38 | H38 | 121.2° | 120.0° |
| C18 | C13 | C2 | 120.4° | 119.9° |
| C18 | C13 | C28 | 122.3° | 120.0° |
| C11 | C22 | N39 | 119.1° | 120.5° |
| C22 | C11 | H8 | 121.2° | 120.8° |
| C22 | N39 | C23 | 125.4° | 120.0° |
| C22 | N39 | C17 | 116.4° | 120.0° |
| N38 | C23 | N39 | 117.6° | 120.0° |
| N38 | C23 | O40 | 120.4° | 120.0° |
| C23 | N38 | H38 | 121.2° | 120.0° |
| C16 | C6 | C4 | 121.5° | 120.0° |
| C16 | C6 | H25 | 119.2° | 120.0° |
| C2 | C13 | C28 | 117.2° | 120.0° |
| C13 | C2 | H2 | 120.4° | 120.0° |
| C13 | C28 | H30 | 109.5° | 109.5° |
| C13 | C28 | H31 | 109.5° | 109.4° |
| C13 | C28 | H32 | 109.5° | 109.5° |
| C5 | C15 | C4 | 118.5° | 120.0° |
| C5 | C15 | N35 | 122.9° | 120.0° |
| C15 | C5 | H24 | 118.6° | 120.0° |
| N39 | C23 | O40 | 122.0° | 120.0° |
| C23 | N39 | C17 | 117.7° | 120.0° |
| N39 | C17 | C8 | 119.7° | 120.1° |
| N39 | C17 | C20 | 117.5° | 120.0° |
| C6 | C4 | C15 | 119.5° | 120.0° |
| C6 | C4 | H23 | 120.3° | 120.0° |
| C4 | C6 | H25 | 119.2° | 120.0° |
| C4 | C15 | N35 | 118.5° | 120.0° |
| C15 | C4 | H23 | 120.2° | 120.0° |
| C15 | N35 | C24 | 110.3° | 111.0° |
| C15 | N35 | C25 | 116.4° | 111.0° |
| C8 | C17 | C20 | 122.8° | 119.9° |
| C17 | C8 | C9 | 117.4° | 120.1° |
| C17 | C8 | H5 | 121.3° | 120.0° |
| C17 | C20 | O42 | 116.8° | 120.1° |
| C17 | C20 | C10 | 119.9° | 119.9° |
| C8 | C9 | C19 | 119.9° | 120.1° |
| C9 | C8 | H5 | 121.3° | 120.0° |
| C8 | C9 | H6 | 120.1° | 120.0° |
| N35 | C24 | C26 | 107.7° | 109.4° |
| C24 | N35 | C25 | 112.5° | 110.8° |
| N35 | C24 | H10 | 109.9° | 109.5° |
| N35 | C24 | H11 | 109.9° | 109.5° |
| C24 | C26 | N36 | 109.4° | 109.4° |
| C26 | C24 | H10 | 109.9° | 109.5° |
| C26 | C24 | H11 | 109.9° | 109.5° |
| C24 | C26 | H28 | 109.5° | 109.5° |
| C24 | C26 | H29 | 109.5° | 109.5° |
| C20 | O42 | C32 | 109.7° | 117.0° |
| O42 | C20 | C10 | 123.3° | 120.0° |
| O42 | C32 | H20 | 109.5° | 109.5° |
| O42 | C32 | H21 | 109.5° | 109.5° |
| O42 | C32 | H22 | 109.5° | 109.5° |
| N35 | C25 | C27 | 107.1° | 109.4° |
| N35 | C25 | H26 | 110.0° | 109.5° |
| N35 | C25 | H27 | 110.0° | 109.5° |
| C20 | C10 | C19 | 116.9° | 120.0° |
| C20 | C10 | H7 | 121.6° | 120.0° |
| C9 | C19 | C10 | 123.3° | 120.0° |
| C9 | C19 | O41 | 118.5° | 120.0° |
| C19 | C9 | H6 | 120.0° | 119.9° |
| C26 | N36 | C27 | 111.1° | 110.9° |
| C26 | N36 | C30 | 104.8° | 111.0° |
| N36 | C26 | H28 | 109.5° | 109.5° |
| N36 | C26 | H29 | 109.5° | 109.5° |
| C25 | C27 | N36 | 110.9° | 109.3° |
| C25 | C27 | H12 | 109.1° | 109.5° |
| C25 | C27 | H13 | 109.1° | 109.5° |
| C27 | C25 | H26 | 110.1° | 109.5° |
| C27 | C25 | H27 | 110.1° | 109.5° |
| C10 | C19 | O41 | 118.2° | 120.0° |
| C19 | C10 | H7 | 121.6° | 120.0° |
| C19 | O41 | C31 | 104.8° | 117.0° |
| C27 | N36 | C30 | 107.4° | 111.0° |
| N36 | C27 | H12 | 109.1° | 109.4° |
| N36 | C27 | H13 | 109.1° | 109.5° |
| N36 | C30 | H14 | 109.5° | 109.5° |
| N36 | C30 | H15 | 109.5° | 109.5° |
| N36 | C30 | H16 | 109.5° | 109.5° |
| O41 | C31 | H17 | 109.5° | 109.5° |
| O41 | C31 | H18 | 109.4° | 109.5° |
| O41 | C31 | H19 | 109.5° | 109.5° |
| H10 | C24 | H11 | 109.5° | 109.5° |
| H12 | C27 | H13 | 109.5° | 109.6° |
| H14 | C30 | H15 | 109.5° | 109.5° |
| H14 | C30 | H16 | 109.5° | 109.5° |
| H15 | C30 | H16 | 109.4° | 109.4° |
| H17 | C31 | H18 | 109.5° | 109.4° |
| H17 | C31 | H19 | 109.4° | 109.4° |
| H18 | C31 | H19 | 109.5° | 109.5° |
| H20 | C32 | H21 | 109.4° | 109.4° |
| H20 | C32 | H22 | 109.4° | 109.5° |
| H21 | C32 | H22 | 109.5° | 109.4° |
| H26 | C25 | H27 | 109.5° | 109.4° |
| H28 | C26 | H29 | 109.5° | 109.5° |
| H30 | C28 | H31 | 109.5° | 109.5° |
| H30 | C28 | H32 | 109.5° | 109.5° |
| H31 | C28 | H32 | 109.5° | 109.5° |
| H33 | C29 | H34 | 109.5° | 109.5° |
| H33 | C29 | H35 | 109.5° | 109.4° |
| H34 | C29 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N33 | C12 | N34 | H9 | 180.0° | 179.9° |
| N33 | C12 | N34 | C22 | 1.5° | 0.2° |
| C12 | N33 | C21 | N37 | 179.2° | 180.0° |
| C12 | N33 | C21 | C11 | 0.8° | 0.1° |
| N34 | C12 | N33 | C21 | 0.4° | 0.2° |
| C12 | N34 | C22 | C11 | 1.5° | 0.0° |
| C12 | N34 | C22 | N39 | 179.5° | 179.9° |
| N33 | C21 | N37 | C11 | 180.0° | 179.9° |
| N33 | C21 | N37 | C16 | 163.1° | 0.9° |
| N33 | C21 | C11 | C22 | 0.7° | 0.3° |
| N33 | C21 | C11 | H8 | 179.3° | 179.9° |
| C21 | N33 | C12 | H9 | 179.6° | 180.0° |
| N33 | C21 | N37 | H37 | 16.8° | 179.1° |
| C29 | C14 | C3 | C18 | 179.6° | 179.4° |
| C29 | C14 | C3 | C1 | 179.7° | 180.0° |
| C29 | C14 | C18 | N38 | 0.4° | 0.6° |
| C29 | C14 | C18 | C13 | 179.3° | 179.7° |
| C29 | C14 | C3 | H3 | 0.2° | 0.0° |
| C14 | C29 | H33 | H34 | 120.0° | 120.0° |
| C14 | C29 | H33 | H35 | 120.0° | 120.0° |
| C14 | C29 | H34 | H35 | 120.0° | 120.0° |
| N34 | C22 | C11 | C21 | 0.5° | 0.2° |
| N34 | C22 | C11 | N39 | 178.9° | 179.9° |
| N34 | C22 | N39 | C23 | 6.1° | 85.8° |
| N34 | C22 | N39 | C17 | 178.1° | 94.3° |
| N34 | C22 | C11 | H8 | 179.5° | 180.0° |
| C22 | N34 | C12 | H9 | 178.5° | 179.9° |
| C14 | C3 | C1 | H3 | 180.0° | 180.0° |
| C14 | C3 | C1 | C2 | 0.3° | 0.0° |
| C3 | C14 | C18 | N38 | 179.2° | 180.0° |
| C3 | C14 | C18 | C13 | 0.3° | 0.9° |
| C14 | C3 | C1 | H1 | 179.7° | 179.7° |
| C3 | C14 | C29 | H33 | 89.8° | 99.9° |
| C3 | C14 | C29 | H34 | 150.2° | 140.1° |
| C3 | C14 | C29 | H35 | 30.2° | 20.0° |
| C1 | C3 | C14 | C18 | 0.1° | 0.6° |
| C3 | C1 | C2 | H1 | 180.0° | 179.7° |
| C3 | C1 | C2 | C13 | 0.1° | 0.3° |
| C3 | C1 | C2 | H2 | 180.0° | 179.8° |
| C14 | C18 | N38 | C13 | 178.9° | 179.1° |
| C14 | C18 | N38 | C23 | 93.3° | 51.2° |
| C14 | C18 | C13 | C2 | 0.5° | 0.6° |
| C14 | C18 | C13 | C28 | 179.9° | 179.4° |
| C18 | C14 | C3 | H3 | 179.9° | 179.4° |
| C18 | C14 | C29 | H33 | 89.8° | 79.5° |
| C18 | C14 | C29 | H34 | 30.2° | 40.6° |
| C18 | C14 | C29 | H35 | 150.2° | 160.6° |
| C14 | C18 | N38 | H38 | 86.7° | 128.8° |
| C21 | N37 | C16 | H37 | 180.0° | 180.0° |
| C21 | N37 | C16 | C7 | 120.6° | 138.8° |
| N37 | C21 | C11 | C22 | 179.2° | 179.8° |
| C21 | N37 | C16 | C6 | 60.6° | 41.2° |
| N37 | C21 | C11 | H8 | 0.8° | 0.0° |
| C11 | C21 | N37 | C16 | 16.9° | 179.2° |
| C21 | C11 | C22 | H8 | 180.0° | 179.8° |
| C21 | C11 | C22 | N39 | 179.4° | 179.7° |
| C11 | C21 | N37 | H37 | 163.1° | 0.8° |
| N37 | C16 | C7 | C6 | 178.8° | 180.0° |
| N37 | C16 | C7 | C5 | 179.4° | 180.0° |
| N37 | C16 | C6 | C4 | 179.4° | 180.0° |
| N37 | C16 | C7 | H4 | 0.6° | 0.3° |
| N37 | C16 | C6 | H25 | 0.6° | 0.1° |
| C1 | C2 | C13 | C18 | 0.3° | 0.0° |
| C1 | C2 | C13 | H2 | 180.0° | 179.9° |
| C1 | C2 | C13 | C28 | 179.7° | 180.0° |
| C2 | C1 | C3 | H3 | 179.7° | 180.0° |
| C16 | C7 | C5 | H4 | 180.0° | 179.7° |
| C16 | C7 | C5 | C15 | 0.1° | 0.0° |
| C7 | C16 | C6 | C4 | 0.6° | 0.1° |
| C16 | C7 | C5 | H24 | 179.8° | 180.0° |
| C7 | C16 | C6 | H25 | 179.4° | 180.0° |
| C7 | C16 | N37 | H37 | 59.4° | 41.2° |
| C5 | C7 | C16 | C6 | 0.6° | 0.1° |
| C7 | C5 | C15 | H24 | 180.0° | 180.0° |
| C7 | C5 | C15 | C4 | 0.3° | 0.0° |
| C7 | C5 | C15 | N35 | 178.4° | 180.0° |
| C18 | N38 | C23 | H38 | 180.0° | 180.0° |
| N38 | C18 | C13 | C2 | 179.4° | 179.7° |
| N38 | C18 | C13 | C28 | 1.2° | 0.3° |
| C18 | N38 | C23 | N39 | 172.4° | 178.3° |
| C18 | N38 | C23 | O40 | 7.2° | 1.7° |
| C13 | C18 | N38 | C23 | 87.8° | 129.6° |
| C18 | C13 | C2 | C28 | 179.4° | 180.0° |
| C18 | C13 | C2 | H2 | 179.7° | 180.0° |
| C18 | C13 | C28 | H30 | 90.3° | 94.4° |
| C18 | C13 | C28 | H31 | 149.7° | 25.6° |
| C18 | C13 | C28 | H32 | 29.7° | 145.6° |
| C13 | C18 | N38 | H38 | 92.2° | 50.4° |
| C11 | C22 | N39 | C23 | 172.9° | 94.3° |
| C11 | C22 | N39 | C17 | 0.8° | 85.6° |
| C22 | N39 | C23 | N38 | 10.0° | 4.8° |
| C22 | N39 | C23 | C17 | 172.0° | 179.9° |
| C22 | N39 | C23 | O40 | 169.6° | 175.3° |
| C22 | N39 | C17 | C8 | 81.7° | 90.0° |
| C22 | N39 | C17 | C20 | 98.7° | 90.1° |
| N39 | C22 | C11 | H8 | 0.6° | 0.1° |
| N38 | C23 | N39 | O40 | 179.6° | 180.0° |
| N38 | C23 | N39 | C17 | 162.0° | 175.3° |
| C16 | C6 | C4 | H25 | 180.0° | 179.9° |
| C16 | C6 | C4 | C15 | 0.1° | 0.0° |
| C6 | C16 | C7 | H4 | 179.4° | 179.7° |
| C16 | C6 | C4 | H23 | 179.9° | 180.0° |
| C6 | C16 | N37 | H37 | 119.4° | 138.8° |
| C13 | C2 | C1 | H1 | 180.0° | 180.0° |
| C2 | C13 | C28 | H30 | 90.3° | 85.7° |
| C2 | C13 | C28 | H31 | 29.7° | 154.4° |
| C2 | C13 | C28 | H32 | 149.7° | 34.4° |
| C28 | C13 | C2 | H2 | 0.3° | 0.0° |
| C13 | C28 | H30 | H31 | 120.0° | 119.9° |
| C13 | C28 | H30 | H32 | 120.0° | 120.0° |
| C13 | C28 | H31 | H32 | 120.0° | 119.9° |
| C5 | C15 | C4 | C6 | 0.4° | 0.0° |
| C5 | C15 | C4 | N35 | 178.2° | 180.0° |
| C5 | C15 | N35 | C24 | 9.2° | 0.1° |
| C5 | C15 | N35 | C25 | 120.6° | 123.7° |
| C15 | C5 | C7 | H4 | 179.9° | 179.7° |
| C5 | C15 | C4 | H23 | 179.7° | 180.0° |
| C23 | N39 | C17 | C8 | 105.6° | 90.0° |
| C23 | N39 | C17 | C20 | 74.0° | 90.0° |
| N39 | C23 | N38 | H38 | 7.5° | 1.7° |
| O40 | C23 | N39 | C17 | 18.4° | 4.7° |
| O40 | C23 | N38 | H38 | 172.9° | 178.3° |
| N39 | C17 | C8 | C20 | 179.5° | 180.0° |
| N39 | C17 | C8 | C9 | 179.7° | 180.0° |
| N39 | C17 | C20 | O42 | 0.5° | 0.4° |
| N39 | C17 | C20 | C10 | 179.8° | 179.5° |
| N39 | C17 | C8 | H5 | 0.3° | 0.3° |
| C6 | C4 | C15 | H23 | 180.0° | 180.0° |
| C6 | C4 | C15 | N35 | 178.5° | 180.0° |
| C4 | C15 | N35 | C24 | 168.9° | 179.9° |
| C4 | C15 | N35 | C25 | 61.3° | 56.3° |
| C4 | C15 | C5 | H24 | 179.7° | 179.9° |
| C15 | C4 | C6 | H25 | 179.9° | 179.9° |
| C15 | N35 | C24 | C25 | 131.8° | 123.9° |
| C15 | N35 | C24 | C26 | 158.0° | 176.8° |
| C15 | N35 | C25 | C27 | 150.8° | 176.8° |
| C15 | N35 | C24 | H10 | 82.3° | 56.8° |
| C15 | N35 | C24 | H11 | 38.3° | 63.2° |
| N35 | C15 | C4 | H23 | 1.5° | 0.0° |
| N35 | C15 | C5 | H24 | 1.6° | 0.1° |
| C15 | N35 | C25 | H26 | 89.6° | 63.2° |
| C15 | N35 | C25 | H27 | 31.2° | 56.8° |
| C17 | C8 | C9 | H5 | 180.0° | 179.6° |
| C8 | C17 | C20 | O42 | 180.0° | 179.7° |
| C8 | C17 | C20 | C10 | 0.6° | 0.6° |
| C17 | C8 | C9 | C19 | 0.5° | 0.3° |
| C17 | C8 | C9 | H6 | 179.5° | 179.7° |
| C20 | C17 | C8 | C9 | 0.2° | 0.0° |
| C17 | C20 | O42 | C10 | 179.3° | 179.1° |
| C17 | C20 | O42 | C32 | 179.3° | 179.1° |
| C17 | C20 | C10 | C19 | 0.4° | 0.8° |
| C20 | C17 | C8 | H5 | 179.8° | 179.6° |
| C17 | C20 | C10 | H7 | 179.6° | 179.7° |
| C8 | C9 | C19 | H6 | 180.0° | 180.0° |
| C8 | C9 | C19 | C10 | 0.7° | 0.1° |
| C8 | C9 | C19 | O41 | 179.8° | 180.0° |
| N35 | C24 | C26 | H10 | 119.7° | 119.9° |
| N35 | C24 | C26 | H11 | 119.7° | 120.0° |
| N35 | C24 | C26 | N36 | 47.0° | 58.4° |
| C24 | N35 | C25 | C27 | 22.0° | 59.3° |
| N35 | C24 | H10 | H11 | 120.9° | 120.0° |
| C24 | N35 | C25 | H26 | 141.7° | 60.7° |
| C24 | N35 | C25 | H27 | 97.6° | 179.3° |
| N35 | C24 | C26 | H28 | 166.9° | 178.4° |
| N35 | C24 | C26 | H29 | 73.1° | 61.6° |
| C26 | C24 | N35 | C25 | 70.1° | 59.3° |
| C24 | C26 | N36 | H28 | 120.0° | 119.9° |
| C24 | C26 | N36 | H29 | 120.0° | 120.0° |
| C24 | C26 | N36 | C27 | 16.8° | 59.3° |
| C24 | C26 | N36 | C30 | 132.5° | 64.5° |
| C26 | C24 | H10 | H11 | 120.8° | 120.1° |
| C24 | C26 | H28 | H29 | 120.0° | 120.1° |
| O42 | C20 | C10 | C19 | 179.7° | 179.9° |
| O42 | C20 | C10 | H7 | 0.3° | 0.5° |
| C20 | O42 | C32 | H20 | 180.0° | 60.0° |
| C20 | O42 | C32 | H21 | 60.0° | 60.0° |
| C20 | O42 | C32 | H22 | 60.0° | 180.0° |
| C32 | O42 | C20 | C10 | 1.4° | 0.0° |
| O42 | C32 | H20 | H21 | 120.0° | 120.0° |
| O42 | C32 | H20 | H22 | 120.0° | 120.1° |
| O42 | C32 | H21 | H22 | 120.0° | 120.0° |
| N35 | C25 | C27 | H26 | 119.6° | 120.0° |
| N35 | C25 | C27 | H27 | 119.6° | 120.0° |
| N35 | C25 | C27 | N36 | 43.6° | 58.4° |
| C25 | N35 | C24 | H10 | 49.6° | 179.3° |
| C25 | N35 | C24 | H11 | 170.2° | 60.7° |
| N35 | C25 | C27 | H12 | 163.8° | 61.5° |
| N35 | C25 | C27 | H13 | 76.6° | 178.4° |
| N35 | C25 | H26 | H27 | 121.1° | 120.0° |
| C20 | C10 | C19 | C9 | 0.3° | 0.5° |
| C20 | C10 | C19 | H7 | 180.0° | 179.5° |
| C20 | C10 | C19 | O41 | 179.8° | 179.4° |
| C9 | C19 | C10 | O41 | 179.5° | 179.9° |
| C9 | C19 | O41 | C31 | 99.1° | 0.1° |
| C19 | C9 | C8 | H5 | 179.5° | 180.0° |
| C9 | C19 | C10 | H7 | 179.7° | 180.0° |
| C26 | N36 | C27 | C25 | 65.7° | 59.3° |
| C26 | N36 | C27 | C30 | 114.1° | 123.9° |
| N36 | C26 | C24 | H10 | 72.8° | 178.4° |
| N36 | C26 | C24 | H11 | 166.7° | 61.5° |
| C26 | N36 | C27 | H12 | 174.1° | 60.6° |
| C26 | N36 | C27 | H13 | 54.5° | 179.3° |
| C26 | N36 | C30 | H14 | 180.0° | 63.8° |
| C26 | N36 | C30 | H15 | 60.0° | 56.2° |
| C26 | N36 | C30 | H16 | 60.0° | 176.2° |
| N36 | C26 | H28 | H29 | 120.0° | 120.1° |
| C25 | C27 | N36 | H12 | 120.2° | 120.0° |
| C25 | C27 | N36 | H13 | 120.2° | 120.0° |
| C25 | C27 | N36 | C30 | 179.8° | 64.5° |
| C25 | C27 | H12 | H13 | 119.4° | 120.1° |
| C27 | C25 | H26 | H27 | 121.1° | 120.0° |
| C10 | C19 | O41 | C31 | 81.4° | 180.0° |
| C10 | C19 | C9 | H6 | 179.3° | 180.0° |
| O41 | C19 | C9 | H6 | 0.2° | 0.0° |
| O41 | C19 | C10 | H7 | 0.2° | 0.1° |
| C19 | O41 | C31 | H17 | 180.0° | 180.0° |
| C19 | O41 | C31 | H18 | 60.0° | 60.0° |
| C19 | O41 | C31 | H19 | 60.0° | 60.1° |
| N36 | C27 | H12 | H13 | 119.3° | 120.0° |
| C27 | N36 | C30 | H14 | 61.7° | 60.0° |
| C27 | N36 | C30 | H15 | 58.3° | 180.0° |
| C27 | N36 | C30 | H16 | 178.2° | 60.0° |
| N36 | C27 | C25 | H26 | 76.0° | 61.6° |
| N36 | C27 | C25 | H27 | 163.2° | 178.4° |
| C27 | N36 | C26 | H28 | 103.2° | 179.3° |
| C27 | N36 | C26 | H29 | 136.8° | 60.7° |
| C30 | N36 | C27 | H12 | 60.0° | 175.5° |
| C30 | N36 | C27 | H13 | 59.6° | 55.4° |
| N36 | C30 | H14 | H15 | 120.0° | 120.0° |
| N36 | C30 | H14 | H16 | 120.0° | 120.0° |
| N36 | C30 | H15 | H16 | 120.0° | 120.0° |
| C30 | N36 | C26 | H28 | 12.5° | 55.4° |
| C30 | N36 | C26 | H29 | 107.5° | 175.5° |
| O41 | C31 | H17 | H18 | 120.0° | 120.1° |
| O41 | C31 | H17 | H19 | 120.0° | 120.0° |
| O41 | C31 | H18 | H19 | 120.0° | 120.1° |
| H1 | C1 | C2 | H2 | 0.0° | 0.1° |
| H1 | C1 | C3 | H3 | 0.3° | 0.3° |
| H4 | C7 | C5 | H24 | 0.2° | 0.2° |
| H5 | C8 | C9 | H6 | 0.5° | 0.1° |
| H10 | C24 | C26 | H28 | 47.2° | 61.7° |
| H10 | C24 | C26 | H29 | 167.2° | 58.4° |
| H11 | C24 | C26 | H28 | 73.3° | 58.4° |
| H11 | C24 | C26 | H29 | 46.7° | 178.4° |
| H12 | C27 | C25 | H26 | 44.2° | 178.5° |
| H12 | C27 | C25 | H27 | 76.6° | 58.5° |
| H13 | C27 | C25 | H26 | 163.8° | 58.3° |
| H13 | C27 | C25 | H27 | 43.0° | 61.7° |
| H14 | C30 | H15 | H16 | 120.0° | 120.0° |
| H17 | C31 | H18 | H19 | 120.0° | 119.9° |
| H20 | C32 | H21 | H22 | 119.9° | 120.0° |
| H23 | C4 | C6 | H25 | 0.1° | 0.0° |
| H30 | C28 | H31 | H32 | 120.0° | 120.1° |
| H33 | C29 | H34 | H35 | 120.0° | 120.0° |
