WBE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N8 | N9 | sing | 1.40Å | 1.40Å | Aromatic |
| N8 | C34 | doub | 1.31Å | 1.31Å | Aromatic |
| N9 | C33 | doub | 1.31Å | 1.31Å | Aromatic |
| N5 | C28 | trip | 1.14Å | 1.11Å | |
| C28 | C27 | sing | 1.43Å | 1.51Å | |
| N10 | C34 | sing | 1.39Å | 1.46Å | |
| C34 | N7 | sing | 1.37Å | 1.37Å | Aromatic |
| C29 | C27 | doub | 1.40Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.40Å | 1.38Å | Aromatic |
| C33 | N7 | sing | 1.37Å | 1.37Å | Aromatic |
| C33 | N6 | sing | 1.39Å | 1.47Å | |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | N6 | sing | 1.47Å | 1.47Å | |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| C26 | C25 | sing | 1.51Å | 1.57Å | |
| C26 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C21 | N3 | sing | 1.46Å | 1.49Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| N3 | C20 | sing | 1.35Å | 1.33Å | |
| C20 | C19 | sing | 1.51Å | 1.55Å | |
| C20 | O2 | doub | 1.21Å | 1.19Å | |
| C24 | N4 | sing | 1.47Å | 1.44Å | |
| C24 | C1 | sing | 1.51Å | 1.55Å | |
| C19 | C11 | sing | 1.53Å | 1.53Å | |
| O1 | C1 | doub | 1.21Å | 1.24Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C11 | N2 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| N1 | C2 | sing | 1.47Å | 1.45Å | |
| N2 | C10 | sing | 1.35Å | 1.33Å | |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C10 | O3 | doub | 1.21Å | 1.19Å | |
| C10 | C2 | sing | 1.51Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C13 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.55Å | |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| CL1 | C5 | sing | 1.74Å | 1.72Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | CL2 | sing | 1.74Å | 1.73Å | |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | F1 | sing | 1.35Å | 1.35Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| N10 | H6 | sing | 0.97Å | 1.00Å | |
| N10 | H7 | sing | 0.97Å | 1.00Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C8 | H30 | sing | 1.08Å | 1.08Å | |
| N1 | H31 | sing | 0.97Å | 1.00Å | |
| N2 | H32 | sing | 0.97Å | 1.00Å | |
| N3 | H33 | sing | 0.97Å | 1.00Å | |
| N4 | H34 | sing | 1.01Å | 1.00Å | |
| N4 | H35 | sing | 1.01Å | 1.00Å | |
| N6 | H37 | sing | 0.97Å | 1.00Å | |
| N7 | H38 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N9 | N8 | C34 | 108.1° | 108.0° |
| N8 | N9 | C33 | 107.9° | 108.0° |
| N8 | C34 | N10 | 126.4° | 126.0° |
| N8 | C34 | N7 | 108.0° | 107.9° |
| N9 | C33 | N7 | 108.2° | 108.0° |
| N9 | C33 | N6 | 126.3° | 126.0° |
| N5 | C28 | C27 | 179.4° | 179.9° |
| C28 | C27 | C29 | 119.7° | 120.2° |
| C28 | C27 | C26 | 118.6° | 120.1° |
| N10 | C34 | N7 | 125.6° | 126.0° |
| C34 | N10 | H6 | 109.5° | 120.0° |
| C34 | N10 | H7 | 109.5° | 120.0° |
| C34 | N7 | C33 | 107.8° | 108.1° |
| C34 | N7 | H38 | 126.1° | 126.0° |
| C27 | C29 | C30 | 119.5° | 119.9° |
| C29 | C27 | C26 | 121.7° | 119.7° |
| C27 | C29 | H26 | 120.2° | 120.1° |
| C29 | C30 | C31 | 119.0° | 120.1° |
| C30 | C29 | H26 | 120.2° | 120.1° |
| C29 | C30 | H27 | 120.5° | 120.0° |
| C27 | C26 | C25 | 119.4° | 120.1° |
| C27 | C26 | C32 | 118.4° | 119.8° |
| N7 | C33 | N6 | 125.5° | 126.0° |
| C33 | N7 | H38 | 126.1° | 126.0° |
| C33 | N6 | C23 | 120.2° | 120.0° |
| C33 | N6 | H37 | 106.7° | 120.1° |
| C30 | C31 | C32 | 121.1° | 120.3° |
| C31 | C30 | H27 | 120.5° | 119.9° |
| C30 | C31 | H28 | 119.5° | 119.8° |
| N6 | C23 | C22 | 107.7° | 109.5° |
| N6 | C23 | H17 | 109.9° | 109.5° |
| N6 | C23 | H18 | 109.9° | 109.4° |
| C23 | N6 | H37 | 106.7° | 120.0° |
| C23 | C22 | C21 | 109.7° | 109.5° |
| C23 | C22 | H15 | 109.4° | 109.5° |
| C23 | C22 | H16 | 109.4° | 109.5° |
| C22 | C23 | H17 | 109.9° | 109.5° |
| C22 | C23 | H18 | 109.9° | 109.4° |
| C25 | C26 | C32 | 122.3° | 120.1° |
| C26 | C25 | C24 | 112.7° | 109.5° |
| C26 | C25 | H24 | 108.6° | 109.5° |
| C26 | C25 | H25 | 108.6° | 109.5° |
| C26 | C32 | C31 | 120.3° | 120.2° |
| C26 | C32 | H29 | 119.9° | 119.9° |
| C32 | C31 | H28 | 119.4° | 119.9° |
| C31 | C32 | H29 | 119.9° | 119.9° |
| C22 | C21 | N3 | 110.8° | 109.5° |
| C22 | C21 | H13 | 109.1° | 109.4° |
| C22 | C21 | H14 | 109.1° | 109.5° |
| C21 | C22 | H15 | 109.4° | 109.5° |
| C21 | C22 | H16 | 109.4° | 109.4° |
| C21 | N3 | C20 | 119.9° | 120.0° |
| N3 | C21 | H13 | 109.1° | 109.5° |
| N3 | C21 | H14 | 109.2° | 109.5° |
| C21 | N3 | H33 | 120.0° | 120.0° |
| C25 | C24 | N4 | 110.6° | 109.5° |
| C25 | C24 | C1 | 108.7° | 109.5° |
| C25 | C24 | H19 | 107.4° | 109.4° |
| C24 | C25 | H24 | 108.6° | 109.4° |
| C24 | C25 | H25 | 108.7° | 109.4° |
| N3 | C20 | C19 | 118.9° | 120.0° |
| N3 | C20 | O2 | 120.4° | 120.0° |
| C20 | N3 | H33 | 120.1° | 120.0° |
| C19 | C20 | O2 | 120.7° | 120.0° |
| C20 | C19 | C11 | 111.2° | 109.4° |
| C20 | C19 | H11 | 109.0° | 109.5° |
| C20 | C19 | H12 | 109.0° | 109.4° |
| N4 | C24 | C1 | 113.9° | 109.5° |
| N4 | C24 | H19 | 108.7° | 109.5° |
| C24 | N4 | H34 | 109.5° | 111.0° |
| C24 | N4 | H35 | 109.5° | 111.0° |
| C24 | C1 | O1 | 120.0° | 120.0° |
| C24 | C1 | N1 | 118.7° | 120.0° |
| C1 | C24 | H19 | 107.4° | 109.5° |
| C19 | C11 | N2 | 109.6° | 109.5° |
| C19 | C11 | C12 | 110.3° | 109.5° |
| C19 | C11 | H8 | 108.7° | 109.5° |
| C11 | C19 | H11 | 109.0° | 109.5° |
| C11 | C19 | H12 | 109.1° | 109.5° |
| O1 | C1 | N1 | 121.3° | 120.0° |
| C1 | N1 | C2 | 121.2° | 120.0° |
| C1 | N1 | H31 | 119.4° | 120.0° |
| N2 | C11 | C12 | 110.1° | 109.5° |
| C11 | N2 | C10 | 121.9° | 120.0° |
| N2 | C11 | H8 | 109.4° | 109.4° |
| C11 | N2 | H32 | 119.0° | 120.0° |
| C11 | C12 | C13 | 108.7° | 109.5° |
| C12 | C11 | H8 | 108.7° | 109.5° |
| C11 | C12 | H20 | 109.7° | 109.5° |
| C11 | C12 | H21 | 109.7° | 109.5° |
| N1 | C2 | C10 | 109.9° | 109.5° |
| N1 | C2 | C3 | 110.2° | 109.5° |
| N1 | C2 | H1 | 110.6° | 109.5° |
| C2 | N1 | H31 | 119.4° | 120.0° |
| N2 | C10 | O3 | 121.6° | 120.0° |
| N2 | C10 | C2 | 118.6° | 120.0° |
| C10 | N2 | H32 | 119.1° | 120.0° |
| C12 | C13 | C18 | 120.6° | 120.0° |
| C12 | C13 | C14 | 119.4° | 119.9° |
| C13 | C12 | H20 | 109.6° | 109.4° |
| C13 | C12 | H21 | 109.6° | 109.5° |
| O3 | C10 | C2 | 119.8° | 120.0° |
| C10 | C2 | C3 | 107.0° | 109.5° |
| C10 | C2 | H1 | 109.5° | 109.5° |
| C2 | C3 | C4 | 109.9° | 109.5° |
| C3 | C2 | H1 | 109.6° | 109.5° |
| C2 | C3 | H2 | 109.4° | 109.5° |
| C2 | C3 | H3 | 109.4° | 109.5° |
| C18 | C13 | C14 | 120.0° | 120.0° |
| C13 | C18 | C17 | 120.3° | 120.0° |
| C13 | C18 | H23 | 119.9° | 120.0° |
| C13 | C14 | C15 | 119.8° | 120.0° |
| C13 | C14 | H9 | 120.1° | 120.0° |
| C3 | C4 | C9 | 119.3° | 120.0° |
| C3 | C4 | C5 | 120.4° | 120.0° |
| C4 | C3 | H2 | 109.3° | 109.5° |
| C4 | C3 | H3 | 109.4° | 109.4° |
| C18 | C17 | C16 | 119.7° | 120.0° |
| C18 | C17 | H10 | 120.1° | 120.0° |
| C17 | C18 | H23 | 119.8° | 120.0° |
| C14 | C15 | C16 | 120.0° | 119.9° |
| C15 | C14 | H9 | 120.1° | 120.0° |
| C14 | C15 | H22 | 120.0° | 120.0° |
| C4 | C9 | C8 | 119.5° | 120.1° |
| C9 | C4 | C5 | 120.2° | 120.0° |
| C4 | C9 | H5 | 120.2° | 120.0° |
| C9 | C8 | C7 | 119.9° | 120.0° |
| C8 | C9 | H5 | 120.2° | 119.9° |
| C9 | C8 | H30 | 120.1° | 120.0° |
| C4 | C5 | CL1 | 120.5° | 120.0° |
| C4 | C5 | C6 | 120.3° | 120.0° |
| CL1 | C5 | C6 | 119.2° | 120.0° |
| C5 | C6 | C7 | 119.3° | 120.0° |
| C5 | C6 | H4 | 120.3° | 120.1° |
| C8 | C7 | C6 | 120.8° | 120.0° |
| C8 | C7 | CL2 | 120.4° | 120.0° |
| C7 | C8 | H30 | 120.1° | 120.0° |
| C6 | C7 | CL2 | 118.9° | 120.0° |
| C7 | C6 | H4 | 120.4° | 120.0° |
| C17 | C16 | C15 | 120.2° | 120.0° |
| C17 | C16 | F1 | 119.6° | 120.0° |
| C16 | C17 | H10 | 120.1° | 120.1° |
| C15 | C16 | F1 | 120.2° | 120.0° |
| C16 | C15 | H22 | 120.0° | 120.0° |
| H2 | C3 | H3 | 109.5° | 109.4° |
| H6 | N10 | H7 | 109.4° | 120.0° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H13 | C21 | H14 | 109.5° | 109.4° |
| H15 | C22 | H16 | 109.4° | 109.4° |
| H17 | C23 | H18 | 109.5° | 109.5° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H34 | N4 | H35 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N9 | N8 | C34 | N10 | 179.7° | 180.0° |
| N9 | N8 | C34 | N7 | 0.0° | 0.4° |
| N8 | N9 | C33 | N7 | 0.1° | 0.0° |
| N8 | N9 | C33 | N6 | 179.8° | 179.8° |
| C34 | N8 | N9 | C33 | 0.1° | 0.2° |
| N8 | C34 | N10 | N7 | 179.7° | 179.5° |
| N8 | C34 | N7 | C33 | 0.0° | 0.4° |
| N8 | C34 | N10 | H6 | 0.0° | 179.5° |
| N8 | C34 | N10 | H7 | 120.0° | 0.4° |
| N8 | C34 | N7 | H38 | 180.0° | 179.6° |
| N9 | C33 | N7 | C34 | 0.1° | 0.3° |
| N9 | C33 | N7 | N6 | 179.7° | 179.7° |
| N9 | C33 | N6 | C23 | 9.8° | 179.7° |
| N9 | C33 | N6 | H37 | 111.8° | 0.3° |
| N9 | C33 | N7 | H38 | 179.9° | 179.8° |
| N5 | C28 | C27 | C29 | 71.5° | 48.1° |
| N5 | C28 | C27 | C26 | 109.3° | 131.9° |
| C28 | C27 | C29 | C26 | 179.1° | 180.0° |
| C28 | C27 | C29 | C30 | 179.9° | 180.0° |
| C28 | C27 | C26 | C25 | 0.0° | 0.0° |
| C28 | C27 | C26 | C32 | 180.0° | 179.7° |
| C28 | C27 | C29 | H26 | 0.1° | 0.0° |
| N10 | C34 | N7 | C33 | 179.8° | 180.0° |
| C34 | N10 | H6 | H7 | 120.0° | 180.0° |
| N10 | C34 | N7 | H38 | 0.2° | 0.0° |
| C34 | N7 | C33 | H38 | 180.0° | 179.9° |
| C34 | N7 | C33 | N6 | 179.8° | 180.0° |
| N7 | C34 | N10 | H6 | 179.7° | 0.0° |
| N7 | C34 | N10 | H7 | 60.3° | 180.0° |
| C27 | C29 | C30 | H26 | 180.0° | 180.0° |
| C27 | C29 | C30 | C31 | 0.7° | 0.0° |
| C29 | C27 | C26 | C25 | 179.1° | 180.0° |
| C29 | C27 | C26 | C32 | 0.9° | 0.3° |
| C27 | C29 | C30 | H27 | 179.3° | 180.0° |
| C30 | C29 | C27 | C26 | 1.0° | 0.0° |
| C29 | C30 | C31 | H27 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.3° | 0.3° |
| C29 | C30 | C31 | H28 | 179.7° | 180.0° |
| C27 | C26 | C25 | C32 | 180.0° | 179.7° |
| C27 | C26 | C32 | C31 | 0.5° | 0.6° |
| C27 | C26 | C25 | C24 | 131.9° | 85.3° |
| C27 | C26 | C25 | H24 | 107.6° | 34.7° |
| C27 | C26 | C25 | H25 | 11.4° | 154.7° |
| C26 | C27 | C29 | H26 | 179.0° | 180.0° |
| C27 | C26 | C32 | H29 | 179.5° | 179.8° |
| N7 | C33 | N6 | C23 | 170.5° | 0.0° |
| N7 | C33 | N6 | H37 | 67.9° | 180.0° |
| C33 | N6 | C23 | H37 | 121.5° | 180.0° |
| C33 | N6 | C23 | C22 | 81.1° | 180.0° |
| C33 | N6 | C23 | H17 | 38.6° | 60.0° |
| C33 | N6 | C23 | H18 | 159.2° | 60.0° |
| N6 | C33 | N7 | H38 | 0.2° | 0.0° |
| C30 | C31 | C32 | C26 | 0.2° | 0.6° |
| C30 | C31 | C32 | H28 | 180.0° | 179.7° |
| C31 | C30 | C29 | H26 | 179.3° | 180.0° |
| C30 | C31 | C32 | H29 | 179.8° | 179.7° |
| N6 | C23 | C22 | H17 | 119.7° | 120.1° |
| N6 | C23 | C22 | H18 | 119.7° | 119.9° |
| N6 | C23 | C22 | C21 | 179.9° | 180.0° |
| N6 | C23 | C22 | H15 | 60.1° | 59.9° |
| N6 | C23 | C22 | H16 | 59.8° | 60.0° |
| N6 | C23 | H17 | H18 | 120.8° | 120.0° |
| C23 | C22 | C21 | H15 | 120.0° | 120.1° |
| C23 | C22 | C21 | H16 | 120.0° | 120.0° |
| C23 | C22 | C21 | N3 | 61.5° | 180.0° |
| C23 | C22 | C21 | H13 | 178.3° | 60.0° |
| C23 | C22 | C21 | H14 | 58.7° | 59.9° |
| C23 | C22 | H15 | H16 | 119.9° | 120.0° |
| C22 | C23 | H17 | H18 | 120.8° | 120.0° |
| C22 | C23 | N6 | H37 | 157.3° | 0.0° |
| C25 | C26 | C32 | C31 | 179.5° | 179.7° |
| C26 | C25 | C24 | H24 | 120.5° | 120.1° |
| C26 | C25 | C24 | H25 | 120.5° | 120.0° |
| C26 | C25 | C24 | N4 | 178.8° | 65.0° |
| C26 | C25 | C24 | C1 | 55.6° | 175.0° |
| C26 | C25 | C24 | H19 | 60.3° | 55.0° |
| C26 | C25 | H24 | H25 | 118.5° | 120.0° |
| C25 | C26 | C32 | H29 | 0.5° | 0.1° |
| C26 | C32 | C31 | H29 | 180.0° | 179.7° |
| C32 | C26 | C25 | C24 | 48.1° | 95.0° |
| C32 | C26 | C25 | H24 | 72.4° | 145.0° |
| C32 | C26 | C25 | H25 | 168.6° | 25.0° |
| C26 | C32 | C31 | H28 | 179.8° | 179.7° |
| C32 | C31 | C30 | H27 | 179.7° | 179.7° |
| C22 | C21 | N3 | H13 | 120.2° | 120.0° |
| C22 | C21 | N3 | H14 | 120.2° | 120.0° |
| C22 | C21 | N3 | C20 | 111.0° | 180.0° |
| C22 | C21 | H13 | H14 | 119.4° | 120.0° |
| C21 | C22 | H15 | H16 | 119.9° | 119.9° |
| C21 | C22 | C23 | H17 | 60.1° | 59.9° |
| C21 | C22 | C23 | H18 | 60.4° | 60.1° |
| C22 | C21 | N3 | H33 | 69.0° | 0.0° |
| C21 | N3 | C20 | H33 | 180.0° | 179.9° |
| C21 | N3 | C20 | C19 | 178.9° | 180.0° |
| C21 | N3 | C20 | O2 | 0.4° | 0.1° |
| N3 | C21 | H13 | H14 | 119.4° | 120.0° |
| N3 | C21 | C22 | H15 | 58.6° | 60.0° |
| N3 | C21 | C22 | H16 | 178.5° | 60.0° |
| C25 | C24 | N4 | C1 | 122.7° | 120.0° |
| C25 | C24 | N4 | H19 | 117.7° | 119.9° |
| C25 | C24 | C1 | H19 | 115.9° | 120.0° |
| C25 | C24 | C1 | O1 | 45.3° | 100.3° |
| C25 | C24 | C1 | N1 | 133.2° | 80.0° |
| C24 | C25 | H24 | H25 | 118.5° | 119.9° |
| C25 | C24 | N4 | H34 | 180.0° | 63.9° |
| C25 | C24 | N4 | H35 | 60.0° | 60.0° |
| N3 | C20 | C19 | O2 | 179.3° | 179.9° |
| N3 | C20 | C19 | C11 | 135.1° | 180.0° |
| N3 | C20 | C19 | H11 | 104.7° | 60.0° |
| N3 | C20 | C19 | H12 | 14.8° | 60.1° |
| C20 | N3 | C21 | H13 | 9.1° | 60.0° |
| C20 | N3 | C21 | H14 | 128.8° | 60.0° |
| C20 | C19 | C11 | H11 | 120.2° | 120.0° |
| C20 | C19 | C11 | H12 | 120.3° | 120.0° |
| C20 | C19 | C11 | N2 | 175.7° | 65.0° |
| C20 | C19 | C11 | C12 | 62.9° | 175.0° |
| C20 | C19 | C11 | H8 | 56.2° | 55.0° |
| C20 | C19 | H11 | H12 | 119.2° | 120.0° |
| C19 | C20 | N3 | H33 | 1.1° | 0.1° |
| O2 | C20 | C19 | C11 | 45.6° | 0.0° |
| O2 | C20 | C19 | H11 | 74.7° | 119.9° |
| O2 | C20 | C19 | H12 | 165.8° | 120.0° |
| O2 | C20 | N3 | H33 | 179.6° | 180.0° |
| N4 | C24 | C1 | H19 | 120.4° | 120.0° |
| N4 | C24 | C1 | O1 | 78.5° | 19.7° |
| N4 | C24 | C1 | N1 | 103.1° | 160.0° |
| N4 | C24 | C25 | H24 | 58.3° | 175.0° |
| N4 | C24 | C25 | H25 | 60.7° | 55.0° |
| C24 | N4 | H34 | H35 | 120.0° | 124.0° |
| C24 | C1 | O1 | N1 | 178.4° | 179.7° |
| C24 | C1 | N1 | C2 | 178.3° | 180.0° |
| C1 | C24 | C25 | H24 | 176.0° | 55.0° |
| C1 | C24 | C25 | H25 | 64.9° | 65.0° |
| C24 | C1 | N1 | H31 | 1.6° | 0.0° |
| C1 | C24 | N4 | H34 | 57.4° | 176.0° |
| C1 | C24 | N4 | H35 | 177.3° | 60.0° |
| C19 | C11 | N2 | C12 | 121.5° | 120.0° |
| C19 | C11 | N2 | H8 | 119.1° | 120.0° |
| C19 | C11 | C12 | H8 | 119.0° | 120.0° |
| C19 | C11 | N2 | C10 | 89.0° | 155.0° |
| C19 | C11 | C12 | C13 | 174.8° | 175.0° |
| C11 | C19 | H11 | H12 | 119.2° | 120.0° |
| C19 | C11 | C12 | H20 | 65.3° | 65.0° |
| C19 | C11 | C12 | H21 | 55.0° | 55.0° |
| C19 | C11 | N2 | H32 | 91.0° | 25.0° |
| O1 | C1 | N1 | C2 | 0.1° | 0.3° |
| O1 | C1 | C24 | H19 | 161.2° | 139.7° |
| O1 | C1 | N1 | H31 | 179.9° | 179.7° |
| C1 | N1 | C2 | H31 | 180.0° | 180.0° |
| C1 | N1 | C2 | C10 | 101.9° | 155.0° |
| C1 | N1 | C2 | C3 | 140.4° | 85.0° |
| C1 | N1 | C2 | H1 | 19.1° | 35.0° |
| N1 | C1 | C24 | H19 | 17.3° | 40.0° |
| N2 | C11 | C12 | H8 | 119.9° | 120.0° |
| C11 | N2 | C10 | H32 | 180.0° | 180.0° |
| N2 | C11 | C12 | C13 | 64.0° | 65.0° |
| C11 | N2 | C10 | O3 | 0.2° | 0.0° |
| C11 | N2 | C10 | C2 | 178.3° | 180.0° |
| N2 | C11 | C19 | H11 | 55.5° | 175.0° |
| N2 | C11 | C19 | H12 | 64.0° | 55.0° |
| N2 | C11 | C12 | H20 | 55.9° | 55.0° |
| N2 | C11 | C12 | H21 | 176.1° | 175.0° |
| C12 | C11 | N2 | C10 | 149.5° | 85.0° |
| C11 | C12 | C13 | H20 | 119.9° | 120.0° |
| C11 | C12 | C13 | H21 | 119.9° | 120.0° |
| C11 | C12 | C13 | C18 | 90.0° | 90.0° |
| C11 | C12 | C13 | C14 | 89.8° | 90.0° |
| C12 | C11 | C19 | H11 | 176.9° | 55.0° |
| C12 | C11 | C19 | H12 | 57.4° | 65.0° |
| C11 | C12 | H20 | H21 | 120.4° | 120.0° |
| C12 | C11 | N2 | H32 | 30.5° | 95.0° |
| N1 | C2 | C10 | N2 | 132.8° | 180.0° |
| N1 | C2 | C10 | O3 | 49.1° | 0.0° |
| N1 | C2 | C10 | C3 | 119.6° | 120.0° |
| N1 | C2 | C10 | H1 | 121.7° | 120.0° |
| N1 | C2 | C3 | H1 | 122.0° | 120.0° |
| N1 | C2 | C3 | C4 | 76.3° | 65.0° |
| N1 | C2 | C3 | H2 | 163.6° | 175.0° |
| N1 | C2 | C3 | H3 | 43.7° | 55.0° |
| N2 | C10 | O3 | C2 | 178.0° | 180.0° |
| N2 | C10 | C2 | C3 | 107.6° | 60.0° |
| N2 | C10 | C2 | H1 | 11.1° | 60.0° |
| C10 | N2 | C11 | H8 | 30.1° | 35.0° |
| C12 | C13 | C18 | C14 | 179.8° | 180.0° |
| C12 | C13 | C18 | C17 | 179.6° | 180.0° |
| C12 | C13 | C14 | C15 | 179.9° | 180.0° |
| C13 | C12 | C11 | H8 | 55.8° | 55.0° |
| C12 | C13 | C14 | H9 | 0.1° | 0.3° |
| C13 | C12 | H20 | H21 | 120.3° | 120.0° |
| C12 | C13 | C18 | H23 | 0.4° | 0.1° |
| O3 | C10 | C2 | C3 | 70.5° | 120.0° |
| O3 | C10 | C2 | H1 | 170.8° | 120.0° |
| O3 | C10 | N2 | H32 | 179.8° | 180.0° |
| C10 | C2 | C3 | H1 | 118.7° | 120.0° |
| C10 | C2 | C3 | C4 | 164.3° | 175.0° |
| C10 | C2 | C3 | H2 | 44.2° | 54.9° |
| C10 | C2 | C3 | H3 | 75.7° | 65.0° |
| C10 | C2 | N1 | H31 | 78.1° | 25.0° |
| C2 | C10 | N2 | H32 | 1.7° | 0.0° |
| C2 | C3 | C4 | H2 | 120.1° | 120.1° |
| C2 | C3 | C4 | H3 | 120.1° | 120.1° |
| C2 | C3 | C4 | C9 | 90.2° | 95.3° |
| C2 | C3 | C4 | C5 | 88.9° | 85.0° |
| C2 | C3 | H2 | H3 | 119.8° | 120.0° |
| C3 | C2 | N1 | H31 | 39.6° | 95.0° |
| C13 | C18 | C17 | H23 | 180.0° | 179.9° |
| C18 | C13 | C14 | C15 | 0.1° | 0.0° |
| C13 | C18 | C17 | C16 | 0.3° | 0.3° |
| C18 | C13 | C14 | H9 | 179.9° | 179.7° |
| C13 | C18 | C17 | H10 | 179.7° | 179.8° |
| C18 | C13 | C12 | H20 | 29.9° | 30.0° |
| C18 | C13 | C12 | H21 | 150.1° | 150.0° |
| C14 | C13 | C18 | C17 | 0.3° | 0.0° |
| C13 | C14 | C15 | H9 | 180.0° | 179.8° |
| C13 | C14 | C15 | C16 | 0.3° | 0.2° |
| C14 | C13 | C12 | H20 | 150.3° | 150.0° |
| C14 | C13 | C12 | H21 | 30.1° | 30.0° |
| C13 | C14 | C15 | H22 | 179.7° | 179.8° |
| C14 | C13 | C18 | H23 | 179.8° | 179.9° |
| C3 | C4 | C9 | C5 | 179.1° | 179.7° |
| C3 | C4 | C9 | C8 | 179.4° | 180.0° |
| C3 | C4 | C5 | CL1 | 0.4° | 0.0° |
| C3 | C4 | C5 | C6 | 179.9° | 180.0° |
| C4 | C3 | C2 | H1 | 45.6° | 55.0° |
| C4 | C3 | H2 | H3 | 119.8° | 119.9° |
| C3 | C4 | C9 | H5 | 0.6° | 0.0° |
| C18 | C17 | C16 | H10 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 0.0° | 0.6° |
| C18 | C17 | C16 | F1 | 179.7° | 180.0° |
| C14 | C15 | C16 | C17 | 0.3° | 0.5° |
| C14 | C15 | C16 | H22 | 180.0° | 180.0° |
| C14 | C15 | C16 | F1 | 179.9° | 180.0° |
| C4 | C9 | C8 | H5 | 180.0° | 179.9° |
| C9 | C4 | C5 | CL1 | 179.5° | 179.7° |
| C9 | C4 | C5 | C6 | 0.8° | 0.3° |
| C4 | C9 | C8 | C7 | 0.1° | 0.0° |
| C9 | C4 | C3 | H2 | 149.7° | 144.7° |
| C9 | C4 | C3 | H3 | 29.9° | 24.8° |
| C4 | C9 | C8 | H30 | 179.9° | 179.9° |
| C8 | C9 | C4 | C5 | 0.3° | 0.3° |
| C9 | C8 | C7 | H30 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.4° | 0.3° |
| C9 | C8 | C7 | CL2 | 179.9° | 180.0° |
| C4 | C5 | CL1 | C6 | 179.7° | 180.0° |
| C4 | C5 | C6 | C7 | 1.1° | 0.0° |
| C5 | C4 | C3 | H2 | 31.2° | 35.0° |
| C5 | C4 | C3 | H3 | 151.0° | 154.9° |
| C4 | C5 | C6 | H4 | 178.9° | 180.0° |
| C5 | C4 | C9 | H5 | 179.7° | 179.7° |
| CL1 | C5 | C6 | C7 | 179.2° | 180.0° |
| CL1 | C5 | C6 | H4 | 0.8° | 0.0° |
| C5 | C6 | C7 | C8 | 0.9° | 0.3° |
| C5 | C6 | C7 | H4 | 180.0° | 180.0° |
| C5 | C6 | C7 | CL2 | 179.7° | 180.0° |
| C8 | C7 | C6 | CL2 | 179.4° | 179.7° |
| C8 | C7 | C6 | H4 | 179.1° | 179.7° |
| C7 | C8 | C9 | H5 | 179.9° | 180.0° |
| C6 | C7 | C8 | H30 | 179.6° | 179.6° |
| CL2 | C7 | C6 | H4 | 0.3° | 0.0° |
| CL2 | C7 | C8 | H30 | 0.2° | 0.1° |
| C17 | C16 | C15 | F1 | 179.8° | 179.5° |
| C17 | C16 | C15 | H22 | 179.7° | 179.5° |
| C16 | C17 | C18 | H23 | 179.7° | 179.8° |
| C16 | C15 | C14 | H9 | 179.7° | 180.0° |
| C15 | C16 | C17 | H10 | 180.0° | 179.5° |
| F1 | C16 | C17 | H10 | 0.2° | 0.0° |
| F1 | C16 | C15 | H22 | 0.1° | 0.0° |
| H1 | C2 | C3 | H2 | 74.4° | 65.1° |
| H1 | C2 | C3 | H3 | 165.7° | 175.0° |
| H1 | C2 | N1 | H31 | 160.9° | 145.0° |
| H5 | C9 | C8 | H30 | 0.1° | 0.0° |
| H8 | C11 | C19 | H11 | 64.1° | 65.0° |
| H8 | C11 | C19 | H12 | 176.4° | 174.9° |
| H8 | C11 | C12 | H20 | 175.7° | 174.9° |
| H8 | C11 | C12 | H21 | 64.0° | 65.0° |
| H8 | C11 | N2 | H32 | 149.9° | 145.0° |
| H9 | C14 | C15 | H22 | 0.3° | 0.0° |
| H10 | C17 | C18 | H23 | 0.3° | 0.2° |
| H13 | C21 | C22 | H15 | 61.6° | 60.1° |
| H13 | C21 | C22 | H16 | 58.3° | 180.0° |
| H13 | C21 | N3 | H33 | 170.9° | 120.0° |
| H14 | C21 | C22 | H15 | 178.8° | 180.0° |
| H14 | C21 | C22 | H16 | 61.3° | 60.1° |
| H14 | C21 | N3 | H33 | 51.2° | 120.0° |
| H15 | C22 | C23 | H17 | 179.8° | 180.0° |
| H15 | C22 | C23 | H18 | 59.6° | 60.0° |
| H16 | C22 | C23 | H17 | 59.9° | 60.0° |
| H16 | C22 | C23 | H18 | 179.5° | 180.0° |
| H17 | C23 | N6 | H37 | 82.9° | 120.0° |
| H18 | C23 | N6 | H37 | 37.6° | 120.0° |
| H19 | C24 | C25 | H24 | 60.2° | 65.1° |
| H19 | C24 | C25 | H25 | 179.2° | 175.0° |
| H19 | C24 | N4 | H34 | 62.3° | 56.0° |
| H19 | C24 | N4 | H35 | 57.7° | 179.9° |
| H26 | C29 | C30 | H27 | 0.7° | 0.0° |
| H27 | C30 | C31 | H28 | 0.3° | 0.0° |
| H28 | C31 | C32 | H29 | 0.2° | 0.0° |
