WDK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | N4 | sing | 1.47Å | 1.46Å | |
| C25 | N4 | sing | 1.47Å | 1.45Å | |
| N4 | C23 | sing | 1.47Å | 1.46Å | |
| N6 | C30 | trip | 1.14Å | 1.11Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C29 | sing | 1.40Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.43Å | 1.52Å | |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | N3 | sing | 1.47Å | 1.46Å | |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.51Å | 1.53Å | |
| N3 | C20 | sing | 1.35Å | 1.34Å | |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| C20 | O2 | doub | 1.21Å | 1.19Å | |
| C20 | C19 | sing | 1.51Å | 1.53Å | |
| C19 | C11 | sing | 1.53Å | 1.53Å | |
| C26 | N5 | sing | 1.47Å | 1.46Å | |
| C26 | C1 | sing | 1.51Å | 1.53Å | |
| O1 | C1 | doub | 1.21Å | 1.19Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C11 | N2 | sing | 1.46Å | 1.45Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| N1 | C2 | sing | 1.46Å | 1.45Å | |
| N2 | C10 | sing | 1.35Å | 1.33Å | |
| O3 | C10 | doub | 1.21Å | 1.19Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C10 | C2 | sing | 1.51Å | 1.53Å | |
| 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 | 1.53Å | |
| 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 | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | CL1 | sing | 1.74Å | 1.73Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | CL2 | sing | 1.74Å | 1.73Å | |
| C16 | F1 | sing | 1.35Å | 1.35Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C33 | H30 | sing | 1.08Å | 1.08Å | |
| C34 | H31 | sing | 1.08Å | 1.08Å | |
| C6 | H32 | sing | 1.08Å | 1.08Å | |
| C8 | H33 | sing | 1.08Å | 1.08Å | |
| C9 | H34 | sing | 1.08Å | 1.08Å | |
| N1 | H35 | sing | 0.97Å | 1.00Å | |
| N2 | H36 | sing | 0.97Å | 1.00Å | |
| N3 | H37 | sing | 0.97Å | 1.00Å | |
| N5 | H39 | sing | 1.01Å | 1.00Å | |
| N5 | H40 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | N4 | C25 | 109.3° | 111.0° |
| C24 | N4 | C23 | 109.8° | 111.0° |
| N4 | C24 | H17 | 109.5° | 109.4° |
| N4 | C24 | H18 | 109.5° | 109.4° |
| N4 | C24 | H19 | 109.5° | 109.4° |
| C25 | N4 | C23 | 110.6° | 111.0° |
| N4 | C25 | H20 | 109.5° | 109.4° |
| N4 | C25 | H21 | 109.5° | 109.5° |
| N4 | C25 | H22 | 109.5° | 109.5° |
| N4 | C23 | C22 | 112.3° | 109.4° |
| N4 | C23 | H15 | 108.8° | 109.5° |
| N4 | C23 | H16 | 108.8° | 109.5° |
| N6 | C30 | C29 | 179.5° | 180.0° |
| C23 | C22 | C21 | 112.0° | 109.4° |
| C23 | C22 | H13 | 108.8° | 109.5° |
| C23 | C22 | H14 | 108.8° | 109.4° |
| C22 | C23 | H15 | 108.8° | 109.5° |
| C22 | C23 | H16 | 108.7° | 109.5° |
| C32 | C31 | C29 | 119.3° | 119.9° |
| C31 | C32 | C33 | 120.1° | 120.1° |
| C32 | C31 | H28 | 120.4° | 120.0° |
| C31 | C32 | H29 | 119.9° | 119.9° |
| C31 | C29 | C30 | 119.3° | 120.2° |
| C31 | C29 | C28 | 121.0° | 119.7° |
| C29 | C31 | H28 | 120.3° | 120.1° |
| C30 | C29 | C28 | 119.7° | 120.2° |
| C32 | C33 | C34 | 120.3° | 120.3° |
| C33 | C32 | H29 | 120.0° | 119.9° |
| C32 | C33 | H30 | 119.8° | 119.9° |
| C29 | C28 | C34 | 119.3° | 119.9° |
| C29 | C28 | C27 | 121.3° | 120.0° |
| C22 | C21 | N3 | 109.1° | 109.4° |
| C22 | C21 | H11 | 109.6° | 109.5° |
| C22 | C21 | H12 | 109.5° | 109.5° |
| C21 | C22 | H13 | 108.8° | 109.5° |
| C21 | C22 | H14 | 108.8° | 109.5° |
| C21 | N3 | C20 | 122.9° | 120.0° |
| N3 | C21 | H11 | 109.6° | 109.4° |
| N3 | C21 | H12 | 109.6° | 109.4° |
| C21 | N3 | H37 | 118.6° | 120.0° |
| C33 | C34 | C28 | 120.0° | 120.1° |
| C34 | C33 | H30 | 119.9° | 119.8° |
| C33 | C34 | H31 | 120.0° | 119.9° |
| C34 | C28 | C27 | 119.4° | 120.1° |
| C28 | C34 | H31 | 120.0° | 120.0° |
| C28 | C27 | C26 | 108.5° | 109.4° |
| C28 | C27 | H24 | 109.7° | 109.5° |
| C28 | C27 | H25 | 109.7° | 109.4° |
| N3 | C20 | O2 | 120.9° | 120.0° |
| N3 | C20 | C19 | 119.4° | 120.0° |
| C20 | N3 | H37 | 118.6° | 120.0° |
| C27 | C26 | N5 | 112.0° | 109.5° |
| C27 | C26 | C1 | 110.5° | 109.4° |
| C27 | C26 | H23 | 108.1° | 109.5° |
| C26 | C27 | H24 | 109.7° | 109.5° |
| C26 | C27 | H25 | 109.7° | 109.5° |
| O2 | C20 | C19 | 119.6° | 120.0° |
| C20 | C19 | C11 | 110.6° | 109.5° |
| C20 | C19 | H8 | 109.2° | 109.4° |
| C20 | C19 | H9 | 109.2° | 109.5° |
| C19 | C11 | N2 | 110.8° | 109.5° |
| C19 | C11 | C12 | 111.1° | 109.5° |
| C19 | C11 | H1 | 108.7° | 109.5° |
| C11 | C19 | H8 | 109.2° | 109.5° |
| C11 | C19 | H9 | 109.2° | 109.5° |
| N5 | C26 | C1 | 108.7° | 109.5° |
| N5 | C26 | H23 | 109.2° | 109.5° |
| C26 | N5 | H39 | 109.5° | 111.0° |
| C26 | N5 | H40 | 109.4° | 111.0° |
| C26 | C1 | O1 | 120.3° | 120.0° |
| C26 | C1 | N1 | 118.9° | 120.0° |
| C1 | C26 | H23 | 108.3° | 109.5° |
| O1 | C1 | N1 | 120.9° | 120.0° |
| C1 | N1 | C2 | 122.2° | 120.0° |
| C1 | N1 | H35 | 118.9° | 120.0° |
| N2 | C11 | C12 | 107.8° | 109.5° |
| C11 | N2 | C10 | 122.5° | 120.0° |
| N2 | C11 | H1 | 109.7° | 109.4° |
| C11 | N2 | H36 | 118.7° | 120.0° |
| C11 | C12 | C13 | 106.1° | 109.5° |
| C12 | C11 | H1 | 108.7° | 109.5° |
| C11 | C12 | H2 | 110.3° | 109.5° |
| C11 | C12 | H3 | 110.3° | 109.4° |
| N1 | C2 | C10 | 108.6° | 109.5° |
| N1 | C2 | C3 | 110.0° | 109.5° |
| N1 | C2 | H10 | 110.4° | 109.5° |
| C2 | N1 | H35 | 118.9° | 120.0° |
| N2 | C10 | O3 | 121.0° | 120.0° |
| N2 | C10 | C2 | 119.2° | 120.0° |
| C10 | N2 | H36 | 118.7° | 120.0° |
| O3 | C10 | C2 | 119.8° | 119.9° |
| C12 | C13 | C18 | 120.1° | 120.0° |
| C12 | C13 | C14 | 120.1° | 120.0° |
| C13 | C12 | H2 | 110.3° | 109.5° |
| C13 | C12 | H3 | 110.3° | 109.5° |
| C10 | C2 | C3 | 109.3° | 109.5° |
| C10 | C2 | H10 | 109.3° | 109.5° |
| C2 | C3 | C4 | 108.0° | 109.5° |
| C3 | C2 | H10 | 109.3° | 109.4° |
| C2 | C3 | H26 | 109.8° | 109.5° |
| C2 | C3 | H27 | 109.8° | 109.4° |
| C18 | C13 | C14 | 119.8° | 120.0° |
| C13 | C18 | C17 | 120.0° | 120.0° |
| C13 | C18 | H7 | 120.0° | 120.0° |
| C13 | C14 | C15 | 120.3° | 120.0° |
| C13 | C14 | H4 | 119.8° | 120.0° |
| C3 | C4 | C9 | 120.1° | 120.0° |
| C3 | C4 | C5 | 120.1° | 120.0° |
| C4 | C3 | H26 | 109.8° | 109.4° |
| C4 | C3 | H27 | 109.8° | 109.5° |
| C18 | C17 | C16 | 119.9° | 120.0° |
| C18 | C17 | H6 | 120.1° | 120.0° |
| C17 | C18 | H7 | 120.0° | 120.0° |
| C14 | C15 | C16 | 119.9° | 120.0° |
| C15 | C14 | H4 | 119.8° | 120.0° |
| C14 | C15 | H5 | 120.0° | 120.0° |
| C4 | C9 | C8 | 119.9° | 120.0° |
| C9 | C4 | C5 | 119.8° | 120.0° |
| C4 | C9 | H34 | 120.0° | 120.0° |
| C9 | C8 | C7 | 120.1° | 120.1° |
| C9 | C8 | H33 | 120.0° | 119.9° |
| C8 | C9 | H34 | 120.1° | 120.0° |
| C4 | C5 | CL1 | 121.2° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.0° |
| C8 | C7 | C6 | 119.9° | 120.0° |
| C8 | C7 | CL2 | 121.4° | 120.0° |
| C7 | C8 | H33 | 120.0° | 120.0° |
| CL1 | C5 | C6 | 118.5° | 120.0° |
| C5 | C6 | C7 | 120.1° | 120.0° |
| C5 | C6 | H32 | 120.0° | 120.0° |
| C17 | C16 | C15 | 120.0° | 119.9° |
| C17 | C16 | F1 | 120.6° | 120.0° |
| C16 | C17 | H6 | 120.0° | 120.0° |
| C15 | C16 | F1 | 119.4° | 120.0° |
| C16 | C15 | H5 | 120.0° | 120.0° |
| C6 | C7 | CL2 | 118.7° | 120.0° |
| C7 | C6 | H32 | 119.9° | 120.0° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H8 | C19 | H9 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.5° | 109.5° |
| H13 | C22 | H14 | 109.5° | 109.5° |
| H15 | C23 | H16 | 109.4° | 109.5° |
| H17 | C24 | H18 | 109.4° | 109.5° |
| H17 | C24 | H19 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.5° |
| H20 | C25 | H21 | 109.4° | 109.5° |
| H20 | C25 | H22 | 109.4° | 109.4° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.5° |
| H26 | C3 | H27 | 109.5° | 109.5° |
| H39 | N5 | H40 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | N4 | C25 | C23 | 121.0° | 124.0° |
| C24 | N4 | C23 | C22 | 153.1° | 170.0° |
| C24 | N4 | C23 | H15 | 86.4° | 50.0° |
| C24 | N4 | C23 | H16 | 32.7° | 70.0° |
| N4 | C24 | H17 | H18 | 120.0° | 120.0° |
| N4 | C24 | H17 | H19 | 120.0° | 119.9° |
| N4 | C24 | H18 | H19 | 120.0° | 119.9° |
| C24 | N4 | C25 | H20 | 180.0° | 60.0° |
| C24 | N4 | C25 | H21 | 60.0° | 180.0° |
| C24 | N4 | C25 | H22 | 60.0° | 59.9° |
| C25 | N4 | C23 | C22 | 86.2° | 66.0° |
| C25 | N4 | C23 | H15 | 34.3° | 174.0° |
| C25 | N4 | C23 | H16 | 153.4° | 54.0° |
| C25 | N4 | C24 | H17 | 180.0° | 56.0° |
| C25 | N4 | C24 | H18 | 60.0° | 176.0° |
| C25 | N4 | C24 | H19 | 60.0° | 64.0° |
| N4 | C25 | H20 | H21 | 120.0° | 120.0° |
| N4 | C25 | H20 | H22 | 120.0° | 120.0° |
| N4 | C25 | H21 | H22 | 120.0° | 120.0° |
| N4 | C23 | C22 | H15 | 120.5° | 120.0° |
| N4 | C23 | C22 | H16 | 120.4° | 120.0° |
| N4 | C23 | C22 | C21 | 77.5° | 180.0° |
| N4 | C23 | C22 | H13 | 42.9° | 60.0° |
| N4 | C23 | C22 | H14 | 162.1° | 60.0° |
| N4 | C23 | H15 | H16 | 118.7° | 120.0° |
| C23 | N4 | C24 | H17 | 58.5° | 180.0° |
| C23 | N4 | C24 | H18 | 61.5° | 60.0° |
| C23 | N4 | C24 | H19 | 178.5° | 60.0° |
| C23 | N4 | C25 | H20 | 59.0° | 64.0° |
| C23 | N4 | C25 | H21 | 179.0° | 56.0° |
| C23 | N4 | C25 | H22 | 60.9° | 176.1° |
| N6 | C30 | C29 | C31 | 40.1° | 99.8° |
| N6 | C30 | C29 | C28 | 140.2° | 80.1° |
| C23 | C22 | C21 | H13 | 120.4° | 120.0° |
| C23 | C22 | C21 | H14 | 120.4° | 119.9° |
| C23 | C22 | C21 | N3 | 160.7° | 180.0° |
| C23 | C22 | C21 | H11 | 79.4° | 60.1° |
| C23 | C22 | C21 | H12 | 40.7° | 60.0° |
| C23 | C22 | H13 | H14 | 118.8° | 120.0° |
| C22 | C23 | H15 | H16 | 118.7° | 120.0° |
| C32 | C31 | C29 | H28 | 180.0° | 180.0° |
| C32 | C31 | C29 | C30 | 179.7° | 180.0° |
| C31 | C32 | C33 | H29 | 180.0° | 180.0° |
| C32 | C31 | C29 | C28 | 0.7° | 0.0° |
| C31 | C32 | C33 | C34 | 0.0° | 0.0° |
| C31 | C32 | C33 | H30 | 180.0° | 180.0° |
| C31 | C29 | C30 | C28 | 179.7° | 180.0° |
| C29 | C31 | C32 | C33 | 0.3° | 0.0° |
| C31 | C29 | C28 | C34 | 0.8° | 0.0° |
| C31 | C29 | C28 | C27 | 179.7° | 179.7° |
| C29 | C31 | C32 | H29 | 179.7° | 180.0° |
| C30 | C29 | C28 | C34 | 179.5° | 180.0° |
| C30 | C29 | C28 | C27 | 0.6° | 0.2° |
| C30 | C29 | C31 | H28 | 0.3° | 0.0° |
| C32 | C33 | C34 | H30 | 180.0° | 180.0° |
| C32 | C33 | C34 | C28 | 0.2° | 0.0° |
| C33 | C32 | C31 | H28 | 179.8° | 180.0° |
| C32 | C33 | C34 | H31 | 179.8° | 179.7° |
| C29 | C28 | C34 | C33 | 0.6° | 0.0° |
| C29 | C28 | C34 | C27 | 178.9° | 179.8° |
| C29 | C28 | C27 | C26 | 132.5° | 85.3° |
| C29 | C28 | C27 | H24 | 107.6° | 34.7° |
| C29 | C28 | C27 | H25 | 12.7° | 154.8° |
| C28 | C29 | C31 | H28 | 179.4° | 180.0° |
| C29 | C28 | C34 | H31 | 179.4° | 179.8° |
| C22 | C21 | N3 | H11 | 119.9° | 120.0° |
| C22 | C21 | N3 | H12 | 119.9° | 120.0° |
| C22 | C21 | N3 | C20 | 158.3° | 180.0° |
| C22 | C21 | H11 | H12 | 120.2° | 120.1° |
| C21 | C22 | H13 | H14 | 118.8° | 120.1° |
| C21 | C22 | C23 | H15 | 162.1° | 60.0° |
| C21 | C22 | C23 | H16 | 43.0° | 60.0° |
| C22 | C21 | N3 | H37 | 21.7° | 0.0° |
| C21 | N3 | C20 | H37 | 180.0° | 180.0° |
| C21 | N3 | C20 | O2 | 0.4° | 0.1° |
| C21 | N3 | C20 | C19 | 179.9° | 180.0° |
| N3 | C21 | H11 | H12 | 120.2° | 120.0° |
| N3 | C21 | C22 | H13 | 40.3° | 60.0° |
| N3 | C21 | C22 | H14 | 78.9° | 60.1° |
| C33 | C34 | C28 | H31 | 180.0° | 179.7° |
| C33 | C34 | C28 | C27 | 179.5° | 179.7° |
| C34 | C33 | C32 | H29 | 179.9° | 180.0° |
| C34 | C28 | C27 | C26 | 46.4° | 95.0° |
| C34 | C28 | C27 | H24 | 73.5° | 145.0° |
| C34 | C28 | C27 | H25 | 166.2° | 25.0° |
| C28 | C34 | C33 | H30 | 179.8° | 180.0° |
| C28 | C27 | C26 | H24 | 119.8° | 120.0° |
| C28 | C27 | C26 | H25 | 119.9° | 119.9° |
| C28 | C27 | C26 | N5 | 178.9° | 65.0° |
| C28 | C27 | C26 | C1 | 59.7° | 175.0° |
| C28 | C27 | C26 | H23 | 58.6° | 55.0° |
| C28 | C27 | H24 | H25 | 120.4° | 120.0° |
| C27 | C28 | C34 | H31 | 0.5° | 0.0° |
| N3 | C20 | O2 | C19 | 179.5° | 179.9° |
| N3 | C20 | C19 | C11 | 119.5° | 180.0° |
| N3 | C20 | C19 | H8 | 120.3° | 60.0° |
| N3 | C20 | C19 | H9 | 0.6° | 60.0° |
| C20 | N3 | C21 | H11 | 38.4° | 60.0° |
| C20 | N3 | C21 | H12 | 81.8° | 60.0° |
| C27 | C26 | N5 | C1 | 122.4° | 120.0° |
| C27 | C26 | N5 | H23 | 119.7° | 120.1° |
| C27 | C26 | C1 | H23 | 118.2° | 120.0° |
| C27 | C26 | C1 | O1 | 48.8° | 100.3° |
| C27 | C26 | C1 | N1 | 130.6° | 80.0° |
| C26 | C27 | H24 | H25 | 120.4° | 120.0° |
| C27 | C26 | N5 | H39 | 180.0° | 64.0° |
| C27 | C26 | N5 | H40 | 60.0° | 60.0° |
| O2 | C20 | C19 | C11 | 60.9° | 0.0° |
| O2 | C20 | C19 | H8 | 59.3° | 120.0° |
| O2 | C20 | C19 | H9 | 178.9° | 120.0° |
| O2 | C20 | N3 | H37 | 179.6° | 180.0° |
| C20 | C19 | C11 | H8 | 120.2° | 120.0° |
| C20 | C19 | C11 | H9 | 120.2° | 120.0° |
| C20 | C19 | C11 | N2 | 177.2° | 65.0° |
| C20 | C19 | C11 | C12 | 63.0° | 175.0° |
| C20 | C19 | C11 | H1 | 56.6° | 55.0° |
| C20 | C19 | H8 | H9 | 119.5° | 120.0° |
| C19 | C20 | N3 | H37 | 0.1° | 0.0° |
| C19 | C11 | N2 | C12 | 121.8° | 120.0° |
| C19 | C11 | N2 | H1 | 120.0° | 120.0° |
| C19 | C11 | C12 | H1 | 119.6° | 120.0° |
| C19 | C11 | N2 | C10 | 90.0° | 155.0° |
| C19 | C11 | C12 | C13 | 178.2° | 175.0° |
| C19 | C11 | C12 | H2 | 62.4° | 65.0° |
| C19 | C11 | C12 | H3 | 58.7° | 55.0° |
| C11 | C19 | H8 | H9 | 119.4° | 120.0° |
| C19 | C11 | N2 | H36 | 90.0° | 25.0° |
| N5 | C26 | C1 | H23 | 118.5° | 120.0° |
| N5 | C26 | C1 | O1 | 74.5° | 19.7° |
| N5 | C26 | C1 | N1 | 106.1° | 160.0° |
| N5 | C26 | C27 | H24 | 59.1° | 175.0° |
| N5 | C26 | C27 | H25 | 61.2° | 54.9° |
| C26 | N5 | H39 | H40 | 120.0° | 124.0° |
| C26 | C1 | O1 | N1 | 179.4° | 179.7° |
| C26 | C1 | N1 | C2 | 179.9° | 180.0° |
| C1 | C26 | C27 | H24 | 179.6° | 55.0° |
| C1 | C26 | C27 | H25 | 60.2° | 65.1° |
| C26 | C1 | N1 | H35 | 0.2° | 0.1° |
| C1 | C26 | N5 | H39 | 57.5° | 176.0° |
| C1 | C26 | N5 | H40 | 177.6° | 60.0° |
| O1 | C1 | N1 | C2 | 0.4° | 0.3° |
| O1 | C1 | C26 | H23 | 167.0° | 139.7° |
| O1 | C1 | N1 | H35 | 179.6° | 179.8° |
| C1 | N1 | C2 | H35 | 180.0° | 179.9° |
| C1 | N1 | C2 | C10 | 109.0° | 154.9° |
| C1 | N1 | C2 | C3 | 131.5° | 85.0° |
| C1 | N1 | C2 | H10 | 10.9° | 35.0° |
| N1 | C1 | C26 | H23 | 12.4° | 40.0° |
| N2 | C11 | C12 | H1 | 118.8° | 120.0° |
| C11 | N2 | C10 | H36 | 180.0° | 180.0° |
| C11 | N2 | C10 | O3 | 0.5° | 0.0° |
| N2 | C11 | C12 | C13 | 60.2° | 65.0° |
| C11 | N2 | C10 | C2 | 179.4° | 180.0° |
| N2 | C11 | C12 | H2 | 59.3° | 55.1° |
| N2 | C11 | C12 | H3 | 179.6° | 175.0° |
| N2 | C11 | C19 | H8 | 57.0° | 175.0° |
| N2 | C11 | C19 | H9 | 62.6° | 55.0° |
| C12 | C11 | N2 | C10 | 148.1° | 85.0° |
| C11 | C12 | C13 | H2 | 119.4° | 120.0° |
| C11 | C12 | C13 | H3 | 119.5° | 120.0° |
| C11 | C12 | C13 | C18 | 82.5° | 90.0° |
| C11 | C12 | C13 | C14 | 96.9° | 89.7° |
| C11 | C12 | H2 | H3 | 121.6° | 119.9° |
| C12 | C11 | C19 | H8 | 176.9° | 55.0° |
| C12 | C11 | C19 | H9 | 57.2° | 65.0° |
| C12 | C11 | N2 | H36 | 31.9° | 95.0° |
| N1 | C2 | C10 | N2 | 135.0° | 180.0° |
| N1 | C2 | C10 | O3 | 45.1° | 0.1° |
| N1 | C2 | C10 | C3 | 120.0° | 120.1° |
| N1 | C2 | C10 | H10 | 120.5° | 120.0° |
| N1 | C2 | C3 | H10 | 121.3° | 120.0° |
| N1 | C2 | C3 | C4 | 74.3° | 65.0° |
| N1 | C2 | C3 | H26 | 166.0° | 175.0° |
| N1 | C2 | C3 | H27 | 45.5° | 55.0° |
| N2 | C10 | O3 | C2 | 179.9° | 179.9° |
| N2 | C10 | C2 | C3 | 105.1° | 59.9° |
| C10 | N2 | C11 | H1 | 30.0° | 35.0° |
| N2 | C10 | C2 | H10 | 14.4° | 60.0° |
| O3 | C10 | C2 | C3 | 74.8° | 120.0° |
| O3 | C10 | C2 | H10 | 165.7° | 120.1° |
| O3 | C10 | N2 | H36 | 179.5° | 180.0° |
| C12 | C13 | C18 | C14 | 179.4° | 179.7° |
| C12 | C13 | C18 | C17 | 179.6° | 179.8° |
| C12 | C13 | C14 | C15 | 179.5° | 180.0° |
| C13 | C12 | C11 | H1 | 58.6° | 55.0° |
| C13 | C12 | H2 | H3 | 121.6° | 120.0° |
| C12 | C13 | C14 | H4 | 0.5° | 0.0° |
| C12 | C13 | C18 | H7 | 0.4° | 0.0° |
| C10 | C2 | C3 | H10 | 119.5° | 120.0° |
| C10 | C2 | C3 | C4 | 166.6° | 175.0° |
| C10 | C2 | C3 | H26 | 46.8° | 55.0° |
| C10 | C2 | C3 | H27 | 73.6° | 65.0° |
| C10 | C2 | N1 | H35 | 71.0° | 25.0° |
| C2 | C10 | N2 | H36 | 0.7° | 0.1° |
| C2 | C3 | C4 | H26 | 119.8° | 120.0° |
| C2 | C3 | C4 | H27 | 119.8° | 119.9° |
| C2 | C3 | C4 | C9 | 86.9° | 95.3° |
| C2 | C3 | C4 | C5 | 92.2° | 85.0° |
| C2 | C3 | H26 | H27 | 120.7° | 120.0° |
| C3 | C2 | N1 | H35 | 48.5° | 95.1° |
| C13 | C18 | C17 | H7 | 180.0° | 179.8° |
| C18 | C13 | C14 | C15 | 0.1° | 0.2° |
| C13 | C18 | C17 | C16 | 0.2° | 0.5° |
| C18 | C13 | C12 | H2 | 158.1° | 30.0° |
| C18 | C13 | C12 | H3 | 37.0° | 150.0° |
| C18 | C13 | C14 | H4 | 179.9° | 179.8° |
| C13 | C18 | C17 | H6 | 179.7° | 179.7° |
| C14 | C13 | C18 | C17 | 0.2° | 0.5° |
| C13 | C14 | C15 | H4 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C13 | C12 | H2 | 22.5° | 150.3° |
| C14 | C13 | C12 | H3 | 143.6° | 30.3° |
| C13 | C14 | C15 | H5 | 179.9° | 180.0° |
| C14 | C13 | C18 | H7 | 179.8° | 179.7° |
| C3 | C4 | C9 | C5 | 179.1° | 179.7° |
| C3 | C4 | C9 | C8 | 179.2° | 179.7° |
| C3 | C4 | C5 | CL1 | 0.5° | 0.0° |
| C3 | C4 | C5 | C6 | 179.5° | 179.9° |
| C4 | C3 | C2 | H10 | 47.1° | 55.0° |
| C4 | C3 | H26 | H27 | 120.7° | 120.0° |
| C3 | C4 | C9 | H34 | 0.8° | 0.1° |
| C18 | C17 | C16 | H6 | 180.0° | 179.7° |
| C18 | C17 | C16 | C15 | 0.2° | 0.3° |
| C18 | C17 | C16 | F1 | 179.8° | 179.8° |
| C14 | C15 | C16 | C17 | 0.2° | 0.0° |
| C14 | C15 | C16 | H5 | 180.0° | 180.0° |
| C14 | C15 | C16 | F1 | 179.9° | 179.9° |
| C4 | C9 | C8 | H34 | 180.0° | 179.6° |
| C4 | C9 | C8 | C7 | 0.1° | 0.6° |
| C9 | C4 | C5 | CL1 | 179.6° | 179.7° |
| C9 | C4 | C5 | C6 | 0.4° | 0.2° |
| C9 | C4 | C3 | H26 | 153.3° | 144.7° |
| C9 | C4 | C3 | H27 | 32.9° | 24.7° |
| C4 | C9 | C8 | H33 | 179.9° | 179.7° |
| C8 | C9 | C4 | C5 | 0.1° | 0.6° |
| C9 | C8 | C7 | H33 | 180.0° | 179.7° |
| C9 | C8 | C7 | C6 | 0.1° | 0.3° |
| C9 | C8 | C7 | CL2 | 180.0° | 179.7° |
| C4 | C5 | CL1 | C6 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.5° | 0.1° |
| C5 | C4 | C3 | H26 | 27.6° | 35.0° |
| C5 | C4 | C3 | H27 | 148.1° | 155.0° |
| C4 | C5 | C6 | H32 | 179.5° | 180.0° |
| C5 | C4 | C9 | H34 | 179.9° | 179.8° |
| C8 | C7 | C6 | C5 | 0.2° | 0.0° |
| C8 | C7 | C6 | CL2 | 179.9° | 179.9° |
| C8 | C7 | C6 | H32 | 179.8° | 179.9° |
| C7 | C8 | C9 | H34 | 179.9° | 179.7° |
| CL1 | C5 | C6 | C7 | 179.6° | 180.0° |
| CL1 | C5 | C6 | H32 | 0.4° | 0.1° |
| C5 | C6 | C7 | H32 | 180.0° | 179.9° |
| C5 | C6 | C7 | CL2 | 179.7° | 179.9° |
| C17 | C16 | C15 | F1 | 179.9° | 179.9° |
| C17 | C16 | C15 | H5 | 179.9° | 180.0° |
| C16 | C17 | C18 | H7 | 179.8° | 179.7° |
| C16 | C15 | C14 | H4 | 179.9° | 180.0° |
| C15 | C16 | C17 | H6 | 179.8° | 180.0° |
| C6 | C7 | C8 | H33 | 179.9° | 180.0° |
| CL2 | C7 | C6 | H32 | 0.3° | 0.0° |
| CL2 | C7 | C8 | H33 | 0.0° | 0.1° |
| F1 | C16 | C15 | H5 | 0.1° | 0.0° |
| F1 | C16 | C17 | H6 | 0.2° | 0.0° |
| H1 | C11 | C12 | H2 | 178.1° | 175.0° |
| H1 | C11 | C12 | H3 | 60.8° | 65.0° |
| H1 | C11 | C19 | H8 | 63.6° | 65.0° |
| H1 | C11 | C19 | H9 | 176.7° | 175.0° |
| H1 | C11 | N2 | H36 | 150.0° | 145.0° |
| H4 | C14 | C15 | H5 | 0.1° | 0.0° |
| H6 | C17 | C18 | H7 | 0.2° | 0.0° |
| H10 | C2 | C3 | H26 | 72.7° | 65.0° |
| H10 | C2 | C3 | H27 | 166.8° | 175.0° |
| H10 | C2 | N1 | H35 | 169.1° | 145.0° |
| H11 | C21 | C22 | H13 | 160.2° | 59.9° |
| H11 | C21 | C22 | H14 | 41.0° | NaN° |
| H11 | C21 | N3 | H37 | 141.6° | 120.0° |
| H12 | C21 | C22 | H13 | 79.7° | 180.0° |
| H12 | C21 | C22 | H14 | 161.1° | 59.9° |
| H12 | C21 | N3 | H37 | 98.3° | 120.0° |
| H13 | C22 | C23 | H15 | 77.5° | NaN° |
| H13 | C22 | C23 | H16 | 163.4° | 60.0° |
| H14 | C22 | C23 | H15 | 41.7° | 60.0° |
| H14 | C22 | C23 | H16 | 77.4° | 180.0° |
| H17 | C24 | H18 | H19 | 120.0° | 120.1° |
| H20 | C25 | H21 | H22 | 120.0° | 120.0° |
| H23 | C26 | C27 | H24 | 61.3° | 65.0° |
| H23 | C26 | C27 | H25 | 178.5° | 175.0° |
| H23 | C26 | N5 | H39 | 60.4° | 56.0° |
| H23 | C26 | N5 | H40 | 59.6° | 180.0° |
| H28 | C31 | C32 | H29 | 0.3° | 0.0° |
| H29 | C32 | C33 | H30 | 0.0° | 0.0° |
| H30 | C33 | C34 | H31 | 0.2° | 0.3° |
| H33 | C8 | C9 | H34 | 0.1° | 0.1° |
