WDF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | C24 | sing | 1.47Å | 1.46Å | |
| N4 | C26 | sing | 1.47Å | 1.46Å | |
| C24 | C23 | sing | 1.53Å | 1.50Å | |
| N5 | C31 | trip | 1.14Å | 1.11Å | |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C30 | sing | 1.40Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.50Å | |
| C31 | C30 | sing | 1.43Å | 1.50Å | |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.50Å | |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.51Å | 1.50Å | |
| C21 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C20 | sing | 1.35Å | 1.33Å | |
| C28 | C27 | sing | 1.53Å | 1.50Å | |
| C20 | O2 | doub | 1.21Å | 1.20Å | |
| C20 | C19 | sing | 1.51Å | 1.50Å | |
| C19 | C11 | sing | 1.53Å | 1.50Å | |
| C27 | CL3 | sing | 1.80Å | 1.78Å | |
| C27 | C1 | sing | 1.51Å | 1.51Å | |
| O1 | C1 | doub | 1.21Å | 1.21Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C11 | N2 | sing | 1.47Å | 1.46Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| N2 | C10 | sing | 1.35Å | 1.32Å | |
| N1 | C2 | sing | 1.46Å | 1.46Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C10 | O3 | doub | 1.21Å | 1.21Å | |
| C10 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| CL1 | C5 | sing | 1.74Å | 1.73Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | CL2 | sing | 1.74Å | 1.73Å | |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| 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 | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| C3 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | H31 | sing | 1.08Å | 1.08Å | |
| C34 | H32 | sing | 1.08Å | 1.08Å | |
| C35 | H33 | sing | 1.08Å | 1.08Å | |
| C6 | H34 | sing | 1.08Å | 1.08Å | |
| C8 | H35 | sing | 1.08Å | 1.08Å | |
| C9 | H36 | sing | 1.08Å | 1.08Å | |
| N1 | H37 | sing | 0.97Å | 1.00Å | |
| N2 | H38 | sing | 0.97Å | 1.00Å | |
| N3 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | N4 | C24 | 110.8° | 111.0° |
| C25 | N4 | C26 | 110.9° | 111.0° |
| N4 | C25 | H19 | 109.5° | 109.5° |
| N4 | C25 | H20 | 109.4° | 109.5° |
| N4 | C25 | H21 | 109.5° | 109.5° |
| C24 | N4 | C26 | 110.9° | 110.9° |
| N4 | C24 | C23 | 109.0° | 109.4° |
| N4 | C24 | H17 | 109.6° | 109.5° |
| N4 | C24 | H18 | 109.6° | 109.5° |
| N4 | C26 | H22 | 109.5° | 109.5° |
| N4 | C26 | H23 | 109.5° | 109.5° |
| N4 | C26 | H24 | 109.5° | 109.4° |
| C24 | C23 | C22 | 111.0° | 109.5° |
| C24 | C23 | H15 | 109.1° | 109.4° |
| C24 | C23 | H16 | 109.1° | 109.5° |
| C23 | C24 | H17 | 109.6° | 109.4° |
| C23 | C24 | H18 | 109.6° | 109.5° |
| N5 | C31 | C30 | 179.5° | 180.0° |
| C33 | C32 | C30 | 119.3° | 119.8° |
| C32 | C33 | C34 | 120.1° | 120.1° |
| C33 | C32 | H30 | 120.3° | 120.1° |
| C32 | C33 | H31 | 119.9° | 120.0° |
| C32 | C30 | C31 | 120.4° | 120.1° |
| C32 | C30 | C29 | 120.6° | 119.7° |
| C30 | C32 | H30 | 120.4° | 120.1° |
| C23 | C22 | C21 | 110.2° | 109.5° |
| C23 | C22 | H13 | 109.2° | 109.5° |
| C23 | C22 | H14 | 109.3° | 109.5° |
| C22 | C23 | H15 | 109.1° | 109.5° |
| C22 | C23 | H16 | 109.1° | 109.5° |
| C31 | C30 | C29 | 119.0° | 120.1° |
| C33 | C34 | C35 | 120.5° | 120.3° |
| C34 | C33 | H31 | 119.9° | 119.9° |
| C33 | C34 | H32 | 119.7° | 119.9° |
| C30 | C29 | C35 | 120.1° | 119.8° |
| C30 | C29 | C28 | 119.3° | 120.1° |
| C22 | C21 | N3 | 108.2° | 109.5° |
| C22 | C21 | H11 | 109.8° | 109.5° |
| C22 | C21 | H12 | 109.8° | 109.4° |
| C21 | C22 | H13 | 109.3° | 109.5° |
| C21 | C22 | H14 | 109.3° | 109.5° |
| C34 | C35 | C29 | 119.4° | 120.2° |
| C35 | C34 | H32 | 119.8° | 119.8° |
| C34 | C35 | H33 | 120.3° | 119.9° |
| C35 | C29 | C28 | 120.6° | 120.0° |
| C29 | C35 | H33 | 120.3° | 119.9° |
| C29 | C28 | C27 | 108.0° | 109.5° |
| C29 | C28 | H26 | 109.8° | 109.4° |
| C29 | C28 | H27 | 109.8° | 109.5° |
| C21 | N3 | C20 | 123.1° | 120.0° |
| N3 | C21 | H11 | 109.8° | 109.5° |
| N3 | C21 | H12 | 109.8° | 109.5° |
| C21 | N3 | H39 | 118.4° | 120.0° |
| N3 | C20 | O2 | 121.4° | 120.0° |
| N3 | C20 | C19 | 117.9° | 120.0° |
| C20 | N3 | H39 | 118.4° | 120.0° |
| C28 | C27 | CL3 | 109.8° | 109.4° |
| C28 | C27 | C1 | 111.9° | 109.5° |
| C28 | C27 | H25 | 109.1° | 109.5° |
| C27 | C28 | H26 | 109.8° | 109.4° |
| C27 | C28 | H27 | 109.8° | 109.5° |
| O2 | C20 | C19 | 120.6° | 120.0° |
| C20 | C19 | C11 | 112.5° | 109.5° |
| C20 | C19 | H8 | 108.7° | 109.4° |
| C20 | C19 | H9 | 108.7° | 109.5° |
| C19 | C11 | N2 | 108.0° | 109.4° |
| C19 | C11 | C12 | 112.1° | 109.5° |
| C19 | C11 | H1 | 109.4° | 109.5° |
| C11 | C19 | H8 | 108.7° | 109.5° |
| C11 | C19 | H9 | 108.7° | 109.5° |
| CL3 | C27 | C1 | 110.8° | 109.5° |
| CL3 | C27 | H25 | 106.1° | 109.5° |
| C27 | C1 | O1 | 121.8° | 120.0° |
| C27 | C1 | N1 | 117.4° | 120.0° |
| C1 | C27 | H25 | 109.0° | 109.5° |
| O1 | C1 | N1 | 120.8° | 120.0° |
| C1 | N1 | C2 | 122.9° | 120.0° |
| C1 | N1 | H37 | 118.6° | 120.0° |
| N2 | C11 | C12 | 108.0° | 109.5° |
| C11 | N2 | C10 | 121.9° | 119.9° |
| N2 | C11 | H1 | 110.0° | 109.5° |
| C11 | N2 | H38 | 119.1° | 120.1° |
| C11 | C12 | C13 | 108.5° | 109.5° |
| C12 | C11 | H1 | 109.4° | 109.5° |
| C11 | C12 | H2 | 109.7° | 109.5° |
| C11 | C12 | H3 | 109.7° | 109.5° |
| N2 | C10 | O3 | 120.5° | 120.0° |
| N2 | C10 | C2 | 118.2° | 119.9° |
| C10 | N2 | H38 | 119.0° | 120.0° |
| N1 | C2 | C10 | 109.9° | 109.5° |
| N1 | C2 | C3 | 109.9° | 109.5° |
| N1 | C2 | H10 | 109.7° | 109.4° |
| C2 | N1 | H37 | 118.6° | 120.0° |
| C12 | C13 | C14 | 120.3° | 120.0° |
| C12 | C13 | C18 | 120.5° | 120.0° |
| C13 | C12 | H2 | 109.7° | 109.5° |
| C13 | C12 | H3 | 109.7° | 109.4° |
| O3 | C10 | C2 | 121.2° | 120.0° |
| C10 | C2 | C3 | 109.4° | 109.5° |
| C10 | C2 | H10 | 109.0° | 109.5° |
| C2 | C3 | C4 | 109.3° | 109.5° |
| C3 | C2 | H10 | 108.9° | 109.5° |
| C2 | C3 | H28 | 109.5° | 109.5° |
| C2 | C3 | H29 | 109.5° | 109.5° |
| C14 | C13 | C18 | 119.1° | 120.0° |
| C13 | C14 | C15 | 120.0° | 120.1° |
| C13 | C14 | H4 | 120.0° | 120.0° |
| C13 | C18 | C17 | 120.9° | 120.0° |
| C13 | C18 | H7 | 119.6° | 120.0° |
| C3 | C4 | C9 | 119.8° | 120.0° |
| C3 | C4 | C5 | 120.7° | 120.0° |
| C4 | C3 | H28 | 109.5° | 109.5° |
| C4 | C3 | H29 | 109.5° | 109.4° |
| C14 | C15 | C16 | 120.6° | 119.9° |
| C15 | C14 | H4 | 120.0° | 120.0° |
| C14 | C15 | H5 | 119.7° | 120.0° |
| C18 | C17 | C16 | 119.9° | 120.0° |
| C18 | C17 | H6 | 120.0° | 120.0° |
| C17 | C18 | H7 | 119.6° | 120.0° |
| C9 | C4 | C5 | 119.5° | 120.1° |
| C4 | C9 | C8 | 120.1° | 120.0° |
| C4 | C9 | H36 | 120.0° | 120.0° |
| C4 | C5 | CL1 | 121.4° | 120.1° |
| C4 | C5 | C6 | 120.3° | 119.9° |
| C9 | C8 | C7 | 120.2° | 120.0° |
| C9 | C8 | H35 | 119.9° | 120.0° |
| C8 | C9 | H36 | 120.0° | 120.0° |
| CL1 | C5 | C6 | 118.3° | 120.0° |
| C5 | C6 | C7 | 120.1° | 120.0° |
| C5 | C6 | H34 | 120.0° | 120.0° |
| C8 | C7 | C6 | 119.9° | 120.0° |
| C8 | C7 | CL2 | 120.9° | 120.0° |
| C7 | C8 | H35 | 119.9° | 120.0° |
| C6 | C7 | CL2 | 119.2° | 120.0° |
| C7 | C6 | H34 | 119.9° | 120.0° |
| C15 | C16 | C17 | 119.5° | 120.0° |
| C15 | C16 | F1 | 120.8° | 120.0° |
| C16 | C15 | H5 | 119.7° | 120.0° |
| C17 | C16 | F1 | 119.7° | 120.0° |
| C16 | C17 | H6 | 120.1° | 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° | 109.4° |
| H15 | C23 | H16 | 109.4° | 109.5° |
| H17 | C24 | H18 | 109.5° | 109.5° |
| H19 | C25 | H20 | 109.5° | 109.5° |
| H19 | C25 | H21 | 109.4° | 109.5° |
| H20 | C25 | H21 | 109.5° | 109.4° |
| H22 | C26 | H23 | 109.5° | 109.5° |
| H22 | C26 | H24 | 109.5° | 109.4° |
| H23 | C26 | H24 | 109.5° | 109.5° |
| H26 | C28 | H27 | 109.5° | 109.5° |
| H28 | C3 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | N4 | C24 | C26 | 123.6° | 123.9° |
| C25 | N4 | C24 | C23 | 101.7° | 66.1° |
| C25 | N4 | C24 | H17 | 18.2° | 53.9° |
| C25 | N4 | C24 | H18 | 138.3° | 174.0° |
| N4 | C25 | H19 | H20 | 120.0° | 120.0° |
| N4 | C25 | H19 | H21 | 120.0° | 120.0° |
| N4 | C25 | H20 | H21 | 120.0° | 120.0° |
| C25 | N4 | C26 | H22 | 180.0° | 63.9° |
| C25 | N4 | C26 | H23 | 60.0° | 176.0° |
| C25 | N4 | C26 | H24 | 60.0° | 56.0° |
| N4 | C24 | C23 | H17 | 119.9° | 120.0° |
| N4 | C24 | C23 | H18 | 119.9° | 120.0° |
| N4 | C24 | C23 | C22 | 158.1° | 180.0° |
| N4 | C24 | C23 | H15 | 37.8° | 60.0° |
| N4 | C24 | C23 | H16 | 81.7° | 60.0° |
| N4 | C24 | H17 | H18 | 120.2° | 120.1° |
| C24 | N4 | C25 | H19 | 180.0° | 60.0° |
| C24 | N4 | C25 | H20 | 60.0° | 180.0° |
| C24 | N4 | C25 | H21 | 60.0° | 60.0° |
| C24 | N4 | C26 | H22 | 56.5° | 60.1° |
| C24 | N4 | C26 | H23 | 63.5° | 60.0° |
| C24 | N4 | C26 | H24 | 176.5° | 180.0° |
| C26 | N4 | C24 | C23 | 134.7° | 170.0° |
| C26 | N4 | C24 | H17 | 105.4° | 70.0° |
| C26 | N4 | C24 | H18 | 14.7° | 50.0° |
| C26 | N4 | C25 | H19 | 56.4° | 63.9° |
| C26 | N4 | C25 | H20 | 63.6° | 56.1° |
| C26 | N4 | C25 | H21 | 176.4° | 176.1° |
| N4 | C26 | H22 | H23 | 120.0° | 120.1° |
| N4 | C26 | H22 | H24 | 120.0° | 119.9° |
| N4 | C26 | H23 | H24 | 120.0° | 120.0° |
| C24 | C23 | C22 | H15 | 120.3° | 119.9° |
| C24 | C23 | C22 | H16 | 120.3° | 120.0° |
| C24 | C23 | C22 | C21 | 146.2° | 180.0° |
| C24 | C23 | C22 | H13 | 93.7° | 60.0° |
| C24 | C23 | C22 | H14 | 26.1° | 60.0° |
| C24 | C23 | H15 | H16 | 119.3° | 120.0° |
| C23 | C24 | H17 | H18 | 120.2° | 120.0° |
| N5 | C31 | C30 | C32 | 21.8° | 12.3° |
| N5 | C31 | C30 | C29 | 157.6° | 167.6° |
| C33 | C32 | C30 | H30 | 180.0° | 179.9° |
| C33 | C32 | C30 | C31 | 179.8° | 180.0° |
| C32 | C33 | C34 | H31 | 180.0° | 180.0° |
| C33 | C32 | C30 | C29 | 0.8° | 0.1° |
| C32 | C33 | C34 | C35 | 0.2° | 0.0° |
| C32 | C33 | C34 | H32 | 179.8° | 180.0° |
| C32 | C30 | C31 | C29 | 179.4° | 179.9° |
| C30 | C32 | C33 | C34 | 0.4° | 0.0° |
| C32 | C30 | C29 | C35 | 0.4° | 0.1° |
| C32 | C30 | C29 | C28 | 179.8° | 179.7° |
| C30 | C32 | C33 | H31 | 179.6° | 180.0° |
| C23 | C22 | C21 | H13 | 120.1° | 120.0° |
| C23 | C22 | C21 | H14 | 120.1° | 120.0° |
| C23 | C22 | C21 | N3 | 179.0° | 180.0° |
| C23 | C22 | C21 | H11 | 59.2° | 60.0° |
| C23 | C22 | C21 | H12 | 61.2° | 60.0° |
| C23 | C22 | H13 | H14 | 119.6° | 120.0° |
| C22 | C23 | H15 | H16 | 119.2° | 120.1° |
| C22 | C23 | C24 | H17 | 82.0° | 60.0° |
| C22 | C23 | C24 | H18 | 38.2° | 60.0° |
| C31 | C30 | C29 | C35 | 179.8° | 180.0° |
| C31 | C30 | C29 | C28 | 0.4° | 0.2° |
| C31 | C30 | C32 | H30 | 0.1° | 0.1° |
| C33 | C34 | C35 | H32 | 180.0° | 180.0° |
| C33 | C34 | C35 | C29 | 0.6° | 0.0° |
| C34 | C33 | C32 | H30 | 179.6° | 180.0° |
| C33 | C34 | C35 | H33 | 179.5° | 179.7° |
| C30 | C29 | C35 | C34 | 0.2° | 0.1° |
| C30 | C29 | C35 | C28 | 179.8° | 179.8° |
| C30 | C29 | C28 | C27 | 144.6° | 85.2° |
| C30 | C29 | C28 | H26 | 95.7° | 34.7° |
| C30 | C29 | C28 | H27 | 24.8° | 154.7° |
| C29 | C30 | C32 | H30 | 179.3° | 180.0° |
| C30 | C29 | C35 | H33 | 179.8° | 179.7° |
| C22 | C21 | N3 | H11 | 119.8° | 120.0° |
| C22 | C21 | N3 | H12 | 119.8° | 119.9° |
| C22 | C21 | N3 | C20 | 172.1° | 179.9° |
| C22 | C21 | H11 | H12 | 120.6° | 119.9° |
| C21 | C22 | H13 | H14 | 119.7° | 120.0° |
| C21 | C22 | C23 | H15 | 25.9° | 60.1° |
| C21 | C22 | C23 | H16 | 93.5° | 60.0° |
| C22 | C21 | N3 | H39 | 7.9° | 0.0° |
| C34 | C35 | C29 | H33 | 180.0° | 179.7° |
| C34 | C35 | C29 | C28 | 179.5° | 179.7° |
| C35 | C34 | C33 | H31 | 179.8° | 180.0° |
| C35 | C29 | C28 | C27 | 35.2° | 95.0° |
| C35 | C29 | C28 | H26 | 84.6° | 145.1° |
| C35 | C29 | C28 | H27 | 155.0° | 25.1° |
| C29 | C35 | C34 | H32 | 179.4° | 180.0° |
| C29 | C28 | C27 | H26 | 119.8° | 119.9° |
| C29 | C28 | C27 | H27 | 119.8° | 120.0° |
| C29 | C28 | C27 | CL3 | 165.1° | 65.0° |
| C29 | C28 | C27 | C1 | 71.5° | 175.0° |
| C29 | C28 | C27 | H25 | 49.2° | 54.9° |
| C29 | C28 | H26 | H27 | 120.7° | 120.0° |
| C28 | C29 | C35 | H33 | 0.4° | 0.0° |
| C21 | N3 | C20 | H39 | 180.0° | 179.9° |
| C21 | N3 | C20 | O2 | 0.5° | 0.1° |
| C21 | N3 | C20 | C19 | 179.8° | 180.0° |
| N3 | C21 | H11 | H12 | 120.6° | 120.1° |
| N3 | C21 | C22 | H13 | 60.9° | 60.0° |
| N3 | C21 | C22 | H14 | 58.9° | 60.0° |
| N3 | C20 | O2 | C19 | 179.3° | 179.9° |
| N3 | C20 | C19 | C11 | 123.2° | 179.9° |
| N3 | C20 | C19 | H8 | 116.3° | 60.0° |
| N3 | C20 | C19 | H9 | 2.8° | 60.0° |
| C20 | N3 | C21 | H11 | 68.1° | 60.1° |
| C20 | N3 | C21 | H12 | 52.3° | 60.0° |
| C28 | C27 | CL3 | C1 | 124.0° | 120.0° |
| C28 | C27 | CL3 | H25 | 117.8° | 120.0° |
| C28 | C27 | C1 | H25 | 120.8° | 120.0° |
| C28 | C27 | C1 | O1 | 33.5° | 46.6° |
| C28 | C27 | C1 | N1 | 146.1° | 133.6° |
| C27 | C28 | H26 | H27 | 120.7° | 120.1° |
| O2 | C20 | C19 | C11 | 57.5° | 0.0° |
| O2 | C20 | C19 | H8 | 63.0° | 120.0° |
| O2 | C20 | C19 | H9 | 177.9° | 120.0° |
| O2 | C20 | N3 | H39 | 179.5° | 180.0° |
| C20 | C19 | C11 | H8 | 120.4° | 120.0° |
| C20 | C19 | C11 | H9 | 120.4° | 120.0° |
| C20 | C19 | C11 | N2 | 178.0° | 65.0° |
| C20 | C19 | C11 | C12 | 63.2° | 175.0° |
| C20 | C19 | C11 | H1 | 58.3° | 55.0° |
| C20 | C19 | H8 | H9 | 118.6° | 120.0° |
| C19 | C20 | N3 | H39 | 0.2° | 0.1° |
| C19 | C11 | N2 | C12 | 121.4° | 120.0° |
| C19 | C11 | N2 | H1 | 119.3° | 120.0° |
| C19 | C11 | C12 | H1 | 121.5° | 120.0° |
| C19 | C11 | N2 | C10 | 115.5° | 153.2° |
| C19 | C11 | C12 | C13 | 176.9° | 172.6° |
| C19 | C11 | C12 | H2 | 63.3° | 67.4° |
| C19 | C11 | C12 | H3 | 57.0° | 52.6° |
| C11 | C19 | H8 | H9 | 118.6° | 120.1° |
| C19 | C11 | N2 | H38 | 64.6° | 26.8° |
| CL3 | C27 | C1 | H25 | 116.4° | 120.0° |
| CL3 | C27 | C1 | O1 | 89.4° | 73.3° |
| CL3 | C27 | C1 | N1 | 91.1° | 106.4° |
| CL3 | C27 | C28 | H26 | 45.3° | 175.0° |
| CL3 | C27 | C28 | H27 | 75.2° | 55.0° |
| C27 | C1 | O1 | N1 | 179.5° | 179.8° |
| C27 | C1 | N1 | C2 | 180.0° | 175.0° |
| C1 | C27 | C28 | H26 | 168.7° | 55.1° |
| C1 | C27 | C28 | H27 | 48.3° | 65.0° |
| C27 | C1 | N1 | H37 | 0.0° | 5.0° |
| O1 | C1 | N1 | C2 | 0.4° | 4.8° |
| O1 | C1 | C27 | H25 | 154.2° | 166.7° |
| O1 | C1 | N1 | H37 | 179.6° | 175.3° |
| C1 | N1 | C2 | H37 | 180.0° | 180.0° |
| C1 | N1 | C2 | C10 | 107.3° | 158.4° |
| C1 | N1 | C2 | C3 | 132.3° | 81.6° |
| C1 | N1 | C2 | H10 | 12.6° | 38.4° |
| N1 | C1 | C27 | H25 | 25.3° | 13.6° |
| N2 | C11 | C12 | H1 | 119.7° | 120.0° |
| C11 | N2 | C10 | H38 | 180.0° | 180.0° |
| N2 | C11 | C12 | C13 | 64.4° | 67.5° |
| C11 | N2 | C10 | O3 | 0.4° | 3.4° |
| C11 | N2 | C10 | C2 | 179.1° | 176.5° |
| N2 | C11 | C12 | H2 | 55.5° | 52.5° |
| N2 | C11 | C12 | H3 | 175.8° | 172.6° |
| N2 | C11 | C19 | H8 | 57.6° | 175.0° |
| N2 | C11 | C19 | H9 | 61.5° | 55.0° |
| C12 | C11 | N2 | C10 | 123.2° | 86.8° |
| C11 | C12 | C13 | H2 | 119.9° | 120.0° |
| C11 | C12 | C13 | H3 | 119.9° | 120.0° |
| C11 | C12 | C13 | C14 | 95.4° | 97.2° |
| C11 | C12 | C13 | C18 | 84.3° | 83.0° |
| C11 | C12 | H2 | H3 | 120.4° | 120.0° |
| C12 | C11 | C19 | H8 | 176.4° | 55.1° |
| C12 | C11 | C19 | H9 | 57.3° | 65.0° |
| C12 | C11 | N2 | H38 | 56.8° | 93.2° |
| N2 | C10 | C2 | N1 | 112.3° | 173.8° |
| N2 | C10 | O3 | C2 | 179.5° | 180.0° |
| N2 | C10 | C2 | C3 | 127.0° | 66.2° |
| C10 | N2 | C11 | H1 | 3.8° | 33.2° |
| N2 | C10 | C2 | H10 | 7.9° | 53.9° |
| N1 | C2 | C10 | O3 | 68.2° | 6.2° |
| N1 | C2 | C10 | C3 | 120.7° | 120.0° |
| N1 | C2 | C10 | H10 | 120.2° | 119.9° |
| N1 | C2 | C3 | H10 | 120.2° | 120.0° |
| N1 | C2 | C3 | C4 | 72.6° | 172.4° |
| N1 | C2 | C3 | H28 | 167.4° | 67.6° |
| N1 | C2 | C3 | H29 | 47.3° | 52.4° |
| C12 | C13 | C14 | C18 | 179.6° | 179.8° |
| C12 | C13 | C14 | C15 | 179.7° | 179.9° |
| C12 | C13 | C18 | C17 | 179.4° | 179.7° |
| C13 | C12 | C11 | H1 | 55.4° | 52.6° |
| C13 | C12 | H2 | H3 | 120.4° | 120.0° |
| C12 | C13 | C14 | H4 | 0.3° | 0.0° |
| C12 | C13 | C18 | H7 | 0.6° | 0.0° |
| O3 | C10 | C2 | C3 | 52.5° | 113.8° |
| O3 | C10 | C2 | H10 | 171.6° | 126.1° |
| O3 | C10 | N2 | H38 | 179.6° | 176.6° |
| C10 | C2 | C3 | H10 | 119.1° | 120.0° |
| C10 | C2 | C3 | C4 | 166.6° | 67.6° |
| C10 | C2 | C3 | H28 | 46.7° | 52.4° |
| C10 | C2 | C3 | H29 | 73.4° | 172.4° |
| C10 | C2 | N1 | H37 | 72.7° | 21.7° |
| C2 | C10 | N2 | H38 | 0.9° | 3.4° |
| C2 | C3 | C4 | H28 | 120.0° | 120.0° |
| C2 | C3 | C4 | H29 | 120.0° | 120.0° |
| C2 | C3 | C4 | C9 | 95.9° | 104.0° |
| C2 | C3 | C4 | C5 | 83.3° | 75.7° |
| C2 | C3 | H28 | H29 | 120.1° | 120.0° |
| C3 | C2 | N1 | H37 | 47.7° | 98.4° |
| C13 | C14 | C15 | H4 | 180.0° | 179.9° |
| C14 | C13 | C18 | C17 | 0.3° | 0.5° |
| C13 | C14 | C15 | C16 | 0.2° | 0.1° |
| C14 | C13 | C12 | H2 | 144.8° | 22.8° |
| C14 | C13 | C12 | H3 | 24.5° | 142.8° |
| C13 | C14 | C15 | H5 | 179.8° | 180.0° |
| C14 | C13 | C18 | H7 | 179.7° | 179.8° |
| C18 | C13 | C14 | C15 | 0.1° | 0.2° |
| C13 | C18 | C17 | H7 | 180.0° | 179.7° |
| C13 | C18 | C17 | C16 | 0.5° | 0.5° |
| C18 | C13 | C12 | H2 | 35.6° | 156.9° |
| C18 | C13 | C12 | H3 | 155.9° | 36.9° |
| C18 | C13 | C14 | H4 | 180.0° | 179.7° |
| C13 | C18 | C17 | H6 | 179.5° | 179.8° |
| C3 | C4 | C9 | C5 | 179.2° | 179.7° |
| C3 | C4 | C9 | C8 | 179.4° | 179.8° |
| C3 | C4 | C5 | CL1 | 0.3° | 0.1° |
| C3 | C4 | C5 | C6 | 179.4° | 180.0° |
| C4 | C3 | C2 | H10 | 47.5° | 52.4° |
| C4 | C3 | H28 | H29 | 120.1° | 120.0° |
| C3 | C4 | C9 | H36 | 0.6° | 0.0° |
| C14 | C15 | C16 | H5 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.0° | 0.1° |
| C14 | C15 | C16 | F1 | 179.9° | 179.9° |
| C18 | C17 | C16 | C15 | 0.3° | 0.2° |
| C18 | C17 | C16 | H6 | 180.0° | 179.7° |
| C18 | C17 | C16 | F1 | 179.6° | 179.7° |
| C4 | C9 | C8 | H36 | 180.0° | 179.8° |
| C9 | C4 | C5 | CL1 | 179.5° | 179.8° |
| C9 | C4 | C5 | C6 | 0.2° | 0.3° |
| C4 | C9 | C8 | C7 | 0.1° | 0.5° |
| C9 | C4 | C3 | H28 | 144.1° | 16.0° |
| C9 | C4 | C3 | H29 | 24.1° | 136.0° |
| C4 | C9 | C8 | H35 | 179.9° | 179.7° |
| C5 | C4 | C9 | C8 | 0.2° | 0.5° |
| C4 | C5 | CL1 | C6 | 179.7° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.0° |
| C5 | C4 | C3 | H28 | 36.7° | 164.3° |
| C5 | C4 | C3 | H29 | 156.8° | 44.3° |
| C4 | C5 | C6 | H34 | 179.9° | 179.9° |
| C5 | C4 | C9 | H36 | 179.8° | 179.7° |
| C9 | C8 | C7 | H35 | 180.0° | 179.7° |
| C9 | C8 | C7 | C6 | 0.0° | 0.3° |
| C9 | C8 | C7 | CL2 | 180.0° | 179.8° |
| CL1 | C5 | C6 | C7 | 179.6° | 180.0° |
| CL1 | C5 | C6 | H34 | 0.4° | 0.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.1° |
| C5 | C6 | C7 | H34 | 180.0° | 180.0° |
| C5 | C6 | C7 | CL2 | 180.0° | 180.0° |
| C8 | C7 | C6 | CL2 | 180.0° | 179.9° |
| C8 | C7 | C6 | H34 | 180.0° | 179.9° |
| C7 | C8 | C9 | H36 | 179.9° | 179.7° |
| C6 | C7 | C8 | H35 | 180.0° | 180.0° |
| CL2 | C7 | C6 | H34 | 0.0° | 0.0° |
| CL2 | C7 | C8 | H35 | 0.0° | 0.0° |
| C15 | C16 | C17 | F1 | 179.9° | 180.0° |
| C16 | C15 | C14 | H4 | 179.8° | 180.0° |
| C15 | C16 | C17 | H6 | 179.7° | 180.0° |
| C17 | C16 | C15 | H5 | 179.9° | 179.9° |
| C16 | C17 | C18 | H7 | 179.5° | 179.7° |
| F1 | C16 | C15 | H5 | 0.1° | 0.1° |
| F1 | C16 | C17 | H6 | 0.4° | 0.0° |
| H1 | C11 | C12 | H2 | 175.3° | 172.6° |
| H1 | C11 | C12 | H3 | 64.5° | 67.4° |
| H1 | C11 | C19 | H8 | 62.2° | 65.0° |
| H1 | C11 | C19 | H9 | 178.7° | 175.0° |
| H1 | C11 | N2 | H38 | 176.1° | 146.8° |
| H4 | C14 | C15 | H5 | 0.2° | 0.1° |
| H6 | C17 | C18 | H7 | 0.5° | 0.0° |
| H10 | C2 | C3 | H28 | 72.4° | 172.4° |
| H10 | C2 | C3 | H29 | 167.5° | 67.6° |
| H10 | C2 | N1 | H37 | 167.4° | 141.6° |
| H11 | C21 | C22 | H13 | 179.3° | 60.0° |
| H11 | C21 | C22 | H14 | 60.9° | 180.0° |
| H11 | C21 | N3 | H39 | 111.9° | 120.0° |
| H12 | C21 | C22 | H13 | 58.9° | 180.0° |
| H12 | C21 | C22 | H14 | 178.7° | 60.0° |
| H12 | C21 | N3 | H39 | 127.7° | 119.9° |
| H13 | C22 | C23 | H15 | 146.0° | 179.9° |
| H13 | C22 | C23 | H16 | 26.6° | 60.0° |
| H14 | C22 | C23 | H15 | 94.2° | 60.0° |
| H14 | C22 | C23 | H16 | 146.3° | 179.9° |
| H15 | C23 | C24 | H17 | 157.8° | 180.0° |
| H15 | C23 | C24 | H18 | 82.1° | 60.0° |
| H16 | C23 | C24 | H17 | 38.2° | 60.0° |
| H16 | C23 | C24 | H18 | 158.4° | 180.0° |
| H19 | C25 | H20 | H21 | 120.0° | 120.0° |
| H22 | C26 | H23 | H24 | 120.0° | 120.0° |
| H25 | C27 | C28 | H26 | 70.5° | 65.0° |
| H25 | C27 | C28 | H27 | 169.0° | 175.0° |
| H30 | C32 | C33 | H31 | 0.4° | 0.0° |
| H31 | C33 | C34 | H32 | 0.2° | 0.0° |
| H32 | C34 | C35 | H33 | 0.5° | 0.3° |
| H35 | C8 | C9 | H36 | 0.1° | 0.0° |
