WBO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | N4 | sing | 1.47Å | 1.45Å | |
| N4 | C24 | sing | 1.47Å | 1.45Å | |
| N4 | C35 | sing | 1.47Å | 1.45Å | |
| N6 | C29 | trip | 1.14Å | 1.11Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.43Å | 1.52Å | |
| C30 | C28 | doub | 1.40Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | N3 | sing | 1.46Å | 1.45Å | |
| C27 | C26 | sing | 1.51Å | 1.53Å | |
| C27 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C20 | sing | 1.35Å | 1.33Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.51Å | 1.53Å | |
| C20 | O2 | doub | 1.21Å | 1.18Å | |
| C19 | C11 | sing | 1.53Å | 1.53Å | |
| C25 | N5 | sing | 1.47Å | 1.45Å | |
| C25 | C1 | sing | 1.51Å | 1.52Å | |
| O1 | C1 | doub | 1.21Å | 1.19Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C11 | N2 | sing | 1.47Å | 1.45Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| N2 | C10 | sing | 1.35Å | 1.33Å | |
| N1 | C2 | sing | 1.47Å | 1.45Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C10 | O3 | doub | 1.21Å | 1.18Å | |
| 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 |
| C4 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | 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 | |
| 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 | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C15 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C33 | H30 | sing | 1.08Å | 1.08Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å | |
| C6 | H37 | sing | 1.08Å | 1.08Å | |
| N1 | H38 | sing | 0.97Å | 1.00Å | |
| N2 | H39 | sing | 0.97Å | 1.00Å | |
| N3 | H40 | sing | 0.97Å | 1.00Å | |
| N5 | H41 | sing | 1.01Å | 1.00Å | |
| N5 | H42 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | N4 | C24 | 109.6° | 111.0° |
| C34 | N4 | C35 | 110.0° | 111.0° |
| N4 | C34 | H31 | 109.5° | 109.4° |
| N4 | C34 | H32 | 109.4° | 109.5° |
| N4 | C34 | H33 | 109.5° | 109.5° |
| C24 | N4 | C35 | 109.8° | 111.0° |
| N4 | C24 | C23 | 110.0° | 109.5° |
| N4 | C24 | H25 | 109.3° | 109.5° |
| N4 | C24 | H26 | 109.3° | 109.5° |
| N4 | C35 | H34 | 109.5° | 109.5° |
| N4 | C35 | H35 | 109.5° | 109.5° |
| N4 | C35 | H36 | 109.5° | 109.4° |
| N6 | C29 | C28 | 179.4° | 179.9° |
| C24 | C23 | C22 | 109.6° | 109.5° |
| C24 | C23 | H13 | 109.4° | 109.5° |
| C24 | C23 | H14 | 109.4° | 109.5° |
| C23 | C24 | H25 | 109.3° | 109.4° |
| C23 | C24 | H26 | 109.3° | 109.5° |
| C23 | C22 | C21 | 110.9° | 109.5° |
| C23 | C22 | H11 | 109.1° | 109.4° |
| C23 | C22 | H12 | 109.1° | 109.5° |
| C22 | C23 | H13 | 109.4° | 109.4° |
| C22 | C23 | H14 | 109.4° | 109.4° |
| C29 | C28 | C30 | 120.1° | 120.1° |
| C29 | C28 | C27 | 119.3° | 120.2° |
| C28 | C30 | C31 | 120.0° | 119.8° |
| C30 | C28 | C27 | 120.6° | 119.7° |
| C28 | C30 | H27 | 120.0° | 120.1° |
| C30 | C31 | C32 | 119.6° | 120.2° |
| C31 | C30 | H27 | 120.0° | 120.1° |
| C30 | C31 | H28 | 120.2° | 119.9° |
| C28 | C27 | C26 | 119.9° | 120.0° |
| C28 | C27 | C33 | 119.2° | 119.9° |
| C31 | C32 | C33 | 120.3° | 120.3° |
| C32 | C31 | H28 | 120.2° | 119.9° |
| C31 | C32 | H29 | 119.8° | 119.8° |
| C22 | C21 | N3 | 107.6° | 109.5° |
| C21 | C22 | H11 | 109.1° | 109.5° |
| C21 | C22 | H12 | 109.1° | 109.5° |
| C22 | C21 | H23 | 109.9° | 109.4° |
| C22 | C21 | H24 | 109.9° | 109.5° |
| C21 | N3 | C20 | 121.9° | 120.0° |
| N3 | C21 | H23 | 109.9° | 109.5° |
| N3 | C21 | H24 | 110.0° | 109.5° |
| C21 | N3 | H40 | 119.0° | 120.0° |
| C26 | C27 | C33 | 120.9° | 120.1° |
| C27 | C26 | C25 | 110.3° | 109.4° |
| C27 | C26 | H9 | 109.3° | 109.5° |
| C27 | C26 | H10 | 109.3° | 109.5° |
| C27 | C33 | C32 | 120.3° | 120.1° |
| C27 | C33 | H30 | 119.9° | 119.9° |
| C33 | C32 | H29 | 119.8° | 119.8° |
| C32 | C33 | H30 | 119.8° | 119.9° |
| N3 | C20 | C19 | 119.4° | 120.1° |
| N3 | C20 | O2 | 120.2° | 119.9° |
| C20 | N3 | H40 | 119.1° | 119.9° |
| C26 | C25 | N5 | 110.2° | 109.5° |
| C26 | C25 | C1 | 110.0° | 109.5° |
| C25 | C26 | H9 | 109.2° | 109.4° |
| C25 | C26 | H10 | 109.2° | 109.5° |
| C26 | C25 | H15 | 109.3° | 109.5° |
| C19 | C20 | O2 | 120.4° | 120.0° |
| C20 | C19 | C11 | 109.9° | 109.5° |
| C20 | C19 | H21 | 109.3° | 109.5° |
| C20 | C19 | H22 | 109.4° | 109.4° |
| C19 | C11 | N2 | 111.0° | 109.5° |
| C19 | C11 | C12 | 111.6° | 109.5° |
| C19 | C11 | H16 | 108.5° | 109.5° |
| C11 | C19 | H21 | 109.4° | 109.5° |
| C11 | C19 | H22 | 109.3° | 109.5° |
| N5 | C25 | C1 | 107.8° | 109.5° |
| N5 | C25 | H15 | 110.3° | 109.5° |
| C25 | N5 | H41 | 109.5° | 111.0° |
| C25 | N5 | H42 | 109.5° | 111.0° |
| C25 | C1 | O1 | 120.3° | 120.0° |
| C25 | C1 | N1 | 119.2° | 120.0° |
| C1 | C25 | H15 | 109.3° | 109.5° |
| O1 | C1 | N1 | 120.5° | 120.0° |
| C1 | N1 | C2 | 120.8° | 120.0° |
| C1 | N1 | H38 | 119.6° | 120.0° |
| N2 | C11 | C12 | 107.8° | 109.4° |
| C11 | N2 | C10 | 120.8° | 120.0° |
| N2 | C11 | H16 | 109.5° | 109.4° |
| C11 | N2 | H39 | 119.6° | 120.0° |
| C11 | C12 | C13 | 108.1° | 109.5° |
| C11 | C12 | H7 | 109.8° | 109.4° |
| C11 | C12 | H8 | 109.8° | 109.5° |
| C12 | C11 | H16 | 108.4° | 109.5° |
| N2 | C10 | O3 | 120.2° | 120.0° |
| N2 | C10 | C2 | 119.4° | 120.0° |
| C10 | N2 | H39 | 119.6° | 119.9° |
| N1 | C2 | C10 | 112.2° | 109.5° |
| N1 | C2 | C3 | 107.8° | 109.4° |
| N1 | C2 | H1 | 110.1° | 109.4° |
| C2 | N1 | H38 | 119.6° | 119.9° |
| C12 | C13 | C18 | 120.2° | 120.0° |
| C12 | C13 | C14 | 120.5° | 120.0° |
| C13 | C12 | H7 | 109.8° | 109.5° |
| C13 | C12 | H8 | 109.8° | 109.5° |
| O3 | C10 | C2 | 120.4° | 120.0° |
| C10 | C2 | C3 | 108.7° | 109.5° |
| C10 | C2 | H1 | 109.0° | 109.5° |
| C2 | C3 | C4 | 107.7° | 109.5° |
| C3 | C2 | H1 | 109.0° | 109.5° |
| C2 | C3 | H2 | 109.9° | 109.4° |
| C2 | C3 | H3 | 109.9° | 109.5° |
| C18 | C13 | C14 | 119.3° | 120.0° |
| C13 | C18 | C17 | 120.6° | 120.0° |
| C13 | C18 | H20 | 119.7° | 120.0° |
| C13 | C14 | C15 | 120.2° | 120.1° |
| C13 | C14 | H17 | 119.9° | 120.0° |
| C3 | C4 | C9 | 120.4° | 120.0° |
| C3 | C4 | C5 | 119.7° | 120.0° |
| C4 | C3 | H2 | 109.9° | 109.5° |
| C4 | C3 | H3 | 109.9° | 109.5° |
| C18 | C17 | C16 | 120.0° | 120.0° |
| C18 | C17 | H19 | 120.0° | 120.0° |
| C17 | C18 | H20 | 119.7° | 120.0° |
| C14 | C15 | C16 | 120.0° | 119.9° |
| C15 | C14 | H17 | 119.9° | 120.0° |
| C14 | C15 | H18 | 120.0° | 120.0° |
| C9 | C4 | C5 | 119.8° | 120.0° |
| C4 | C9 | C8 | 119.6° | 120.1° |
| C4 | C9 | H6 | 120.2° | 120.0° |
| C4 | C5 | CL1 | 120.5° | 120.0° |
| C4 | C5 | C6 | 120.6° | 120.0° |
| C9 | C8 | C7 | 120.2° | 120.0° |
| C9 | C8 | H5 | 119.9° | 120.0° |
| C8 | C9 | H6 | 120.2° | 120.0° |
| CL1 | C5 | C6 | 118.9° | 120.0° |
| C5 | C6 | C7 | 119.7° | 120.0° |
| C5 | C6 | H37 | 120.1° | 120.0° |
| C8 | C7 | C6 | 120.0° | 120.0° |
| C8 | C7 | CL2 | 121.0° | 120.0° |
| C7 | C8 | H5 | 119.9° | 120.0° |
| C6 | C7 | CL2 | 119.0° | 120.0° |
| C7 | C6 | H37 | 120.1° | 120.0° |
| C17 | C16 | C15 | 119.9° | 120.0° |
| C17 | C16 | F1 | 119.6° | 120.1° |
| C16 | C17 | H19 | 120.0° | 120.0° |
| C15 | C16 | F1 | 120.5° | 120.0° |
| C16 | C15 | H18 | 120.0° | 120.0° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H7 | C12 | H8 | 109.5° | 109.5° |
| H9 | C26 | H10 | 109.5° | 109.5° |
| H11 | C22 | H12 | 109.5° | 109.5° |
| H13 | C23 | H14 | 109.5° | 109.5° |
| H21 | C19 | H22 | 109.5° | 109.5° |
| H23 | C21 | H24 | 109.5° | 109.5° |
| H25 | C24 | H26 | 109.5° | 109.5° |
| H31 | C34 | H32 | 109.5° | 109.5° |
| H31 | C34 | H33 | 109.5° | 109.5° |
| H32 | C34 | H33 | 109.5° | 109.5° |
| H34 | C35 | H35 | 109.5° | 109.5° |
| H34 | C35 | H36 | 109.5° | 109.5° |
| H35 | C35 | H36 | 109.5° | 109.5° |
| H41 | N5 | H42 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | N4 | C24 | C35 | 121.0° | 124.0° |
| C34 | N4 | C24 | C23 | 117.7° | 66.0° |
| C34 | N4 | C24 | H25 | 2.4° | 174.0° |
| C34 | N4 | C24 | H26 | 122.2° | 54.0° |
| N4 | C34 | H31 | H32 | 120.0° | 120.0° |
| N4 | C34 | H31 | H33 | 120.0° | 120.0° |
| N4 | C34 | H32 | H33 | 120.0° | 120.0° |
| C34 | N4 | C35 | H34 | 180.0° | 176.1° |
| C34 | N4 | C35 | H35 | 60.0° | 56.0° |
| C34 | N4 | C35 | H36 | 60.0° | 63.9° |
| N4 | C24 | C23 | H25 | 120.1° | 120.0° |
| N4 | C24 | C23 | H26 | 120.1° | 120.0° |
| N4 | C24 | C23 | C22 | 137.5° | 180.0° |
| N4 | C24 | C23 | H13 | 17.5° | 60.0° |
| N4 | C24 | C23 | H14 | 102.5° | 60.1° |
| N4 | C24 | H25 | H26 | 119.8° | 120.0° |
| C24 | N4 | C34 | H31 | 180.0° | 60.0° |
| C24 | N4 | C34 | H32 | 60.0° | 180.0° |
| C24 | N4 | C34 | H33 | 60.0° | 60.0° |
| C24 | N4 | C35 | H34 | 59.3° | 60.0° |
| C24 | N4 | C35 | H35 | 60.8° | 180.0° |
| C24 | N4 | C35 | H36 | 179.2° | 60.0° |
| C35 | N4 | C24 | C23 | 121.3° | 170.0° |
| C35 | N4 | C24 | H25 | 118.6° | 50.0° |
| C35 | N4 | C24 | H26 | 1.2° | 70.0° |
| C35 | N4 | C34 | H31 | 59.1° | 64.0° |
| C35 | N4 | C34 | H32 | 60.9° | 56.0° |
| C35 | N4 | C34 | H33 | 179.1° | 176.0° |
| N4 | C35 | H34 | H35 | 120.0° | 120.0° |
| N4 | C35 | H34 | H36 | 120.0° | 120.0° |
| N4 | C35 | H35 | H36 | 120.0° | 120.0° |
| N6 | C29 | C28 | C30 | 19.8° | 179.9° |
| N6 | C29 | C28 | C27 | 160.1° | 0.2° |
| C24 | C23 | C22 | H13 | 120.0° | 120.0° |
| C24 | C23 | C22 | H14 | 120.0° | 120.0° |
| C24 | C23 | C22 | C21 | 169.3° | 180.0° |
| C24 | C23 | C22 | H11 | 70.5° | 60.0° |
| C24 | C23 | C22 | H12 | 49.1° | 60.0° |
| C24 | C23 | H13 | H14 | 120.0° | 120.1° |
| C23 | C24 | H25 | H26 | 119.8° | 120.0° |
| C23 | C22 | C21 | H11 | 120.2° | 120.0° |
| C23 | C22 | C21 | H12 | 120.2° | 120.0° |
| C23 | C22 | C21 | N3 | 146.5° | 180.0° |
| C23 | C22 | H11 | H12 | 119.4° | 120.0° |
| C22 | C23 | H13 | H14 | 120.0° | 119.9° |
| C23 | C22 | C21 | H23 | 93.8° | 60.0° |
| C23 | C22 | C21 | H24 | 26.8° | 60.0° |
| C22 | C23 | C24 | H25 | 102.5° | 60.0° |
| C22 | C23 | C24 | H26 | 17.4° | 60.0° |
| C29 | C28 | C30 | C27 | 179.9° | 179.9° |
| C29 | C28 | C30 | C31 | 179.7° | 180.0° |
| C29 | C28 | C27 | C26 | 0.0° | 0.0° |
| C29 | C28 | C27 | C33 | 179.9° | 179.7° |
| C29 | C28 | C30 | H27 | 0.3° | 0.0° |
| C28 | C30 | C31 | H27 | 180.0° | 180.0° |
| C28 | C30 | C31 | C32 | 0.7° | 0.0° |
| C30 | C28 | C27 | C26 | 179.9° | 180.0° |
| C30 | C28 | C27 | C33 | 0.0° | 0.2° |
| C28 | C30 | C31 | H28 | 179.3° | 180.0° |
| C31 | C30 | C28 | C27 | 0.4° | 0.0° |
| C30 | C31 | C32 | H28 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.7° | 0.3° |
| C30 | C31 | C32 | H29 | 179.3° | 180.0° |
| C28 | C27 | C26 | C33 | 179.9° | 179.8° |
| C28 | C27 | C33 | C32 | 0.0° | 0.5° |
| C28 | C27 | C26 | C25 | 139.9° | 85.3° |
| C28 | C27 | C26 | H9 | 100.0° | 154.8° |
| C28 | C27 | C26 | H10 | 19.8° | 34.7° |
| C27 | C28 | C30 | H27 | 179.6° | 180.0° |
| C28 | C27 | C33 | H30 | 180.0° | 179.7° |
| C31 | C32 | C33 | C27 | 0.3° | 0.6° |
| C31 | C32 | C33 | H29 | 180.0° | 179.7° |
| C32 | C31 | C30 | H27 | 179.3° | 180.0° |
| C31 | C32 | C33 | H30 | 179.7° | 179.7° |
| C22 | C21 | N3 | H23 | 119.7° | 120.0° |
| C22 | C21 | N3 | H24 | 119.7° | 120.0° |
| C22 | C21 | N3 | C20 | 144.2° | 180.0° |
| C21 | C22 | H11 | H12 | 119.4° | 120.0° |
| C21 | C22 | C23 | H13 | 49.3° | 60.0° |
| C21 | C22 | C23 | H14 | 70.6° | 60.0° |
| C22 | C21 | H23 | H24 | 120.8° | 119.9° |
| C22 | C21 | N3 | H40 | 35.9° | 0.0° |
| C21 | N3 | C20 | H40 | 180.0° | 180.0° |
| C21 | N3 | C20 | C19 | 179.8° | 180.0° |
| C21 | N3 | C20 | O2 | 1.0° | 0.0° |
| N3 | C21 | C22 | H11 | 26.3° | 60.0° |
| N3 | C21 | C22 | H12 | 93.3° | 60.0° |
| N3 | C21 | H23 | H24 | 120.9° | 120.1° |
| C26 | C27 | C33 | C32 | 180.0° | 179.7° |
| C27 | C26 | C25 | H9 | 120.1° | 120.0° |
| C27 | C26 | C25 | H10 | 120.2° | 120.0° |
| C27 | C26 | C25 | N5 | 178.5° | 65.0° |
| C27 | C26 | C25 | C1 | 59.8° | 175.0° |
| C27 | C26 | H9 | H10 | 119.6° | 120.0° |
| C27 | C26 | C25 | H15 | 60.2° | 55.0° |
| C26 | C27 | C33 | H30 | 0.0° | 0.0° |
| C27 | C33 | C32 | H30 | 180.0° | 179.7° |
| C33 | C27 | C26 | C25 | 40.2° | 95.0° |
| C33 | C27 | C26 | H9 | 80.0° | 25.0° |
| C33 | C27 | C26 | H10 | 160.3° | 145.0° |
| C27 | C33 | C32 | H29 | 179.6° | 179.8° |
| C33 | C32 | C31 | H28 | 179.3° | 179.7° |
| N3 | C20 | C19 | O2 | 179.2° | 180.0° |
| N3 | C20 | C19 | C11 | 138.2° | 180.0° |
| N3 | C20 | C19 | H21 | 101.7° | 60.0° |
| N3 | C20 | C19 | H22 | 18.2° | 60.0° |
| C20 | N3 | C21 | H23 | 24.5° | 60.0° |
| C20 | N3 | C21 | H24 | 96.2° | 60.0° |
| C26 | C25 | N5 | C1 | 120.0° | 120.0° |
| C26 | C25 | N5 | H15 | 120.7° | 120.0° |
| C26 | C25 | C1 | H15 | 120.0° | 120.0° |
| C26 | C25 | C1 | O1 | 47.9° | 100.3° |
| C26 | C25 | C1 | N1 | 131.8° | 80.0° |
| C25 | C26 | H9 | H10 | 119.6° | 120.0° |
| C26 | C25 | N5 | H41 | 180.0° | 64.0° |
| C26 | C25 | N5 | H42 | 60.0° | 60.0° |
| C20 | C19 | C11 | H21 | 120.1° | 120.0° |
| C20 | C19 | C11 | H22 | 120.1° | 120.0° |
| C20 | C19 | C11 | N2 | 174.0° | 65.0° |
| C20 | C19 | C11 | C12 | 53.8° | 175.0° |
| C20 | C19 | C11 | H16 | 65.7° | 55.0° |
| C20 | C19 | H21 | H22 | 119.8° | 120.0° |
| C19 | C20 | N3 | H40 | 0.2° | 0.0° |
| O2 | C20 | C19 | C11 | 42.5° | 0.0° |
| O2 | C20 | C19 | H21 | 77.5° | 120.0° |
| O2 | C20 | C19 | H22 | 162.6° | 120.0° |
| O2 | C20 | N3 | H40 | 179.0° | 180.0° |
| C19 | C11 | N2 | C12 | 122.5° | 120.0° |
| C19 | C11 | N2 | H16 | 119.8° | 120.0° |
| C19 | C11 | C12 | H16 | 119.5° | 120.0° |
| C19 | C11 | N2 | C10 | 104.2° | 155.0° |
| C19 | C11 | C12 | C13 | 177.7° | 175.0° |
| C19 | C11 | C12 | H7 | 62.5° | 55.0° |
| C19 | C11 | C12 | H8 | 57.9° | 65.0° |
| C11 | C19 | H21 | H22 | 119.8° | 120.0° |
| C19 | C11 | N2 | H39 | 75.8° | 25.0° |
| N5 | C25 | C1 | H15 | 119.9° | 120.0° |
| N5 | C25 | C1 | O1 | 72.2° | 19.8° |
| N5 | C25 | C1 | N1 | 108.1° | 160.0° |
| N5 | C25 | C26 | H9 | 61.4° | 55.0° |
| N5 | C25 | C26 | H10 | 58.3° | 175.0° |
| C25 | N5 | H41 | H42 | 120.0° | 123.9° |
| C25 | C1 | O1 | N1 | 179.7° | 179.8° |
| C25 | C1 | N1 | C2 | 179.2° | 180.0° |
| C1 | C25 | C26 | H9 | 179.9° | 65.0° |
| C1 | C25 | C26 | H10 | 60.4° | 55.0° |
| C25 | C1 | N1 | H38 | 0.8° | 0.1° |
| C1 | C25 | N5 | H41 | 60.0° | 176.0° |
| C1 | C25 | N5 | H42 | 180.0° | 60.0° |
| O1 | C1 | N1 | C2 | 1.1° | 0.2° |
| O1 | C1 | C25 | H15 | 167.9° | 139.7° |
| O1 | C1 | N1 | H38 | 178.9° | 179.7° |
| C1 | N1 | C2 | H38 | 180.0° | 179.9° |
| C1 | N1 | C2 | C10 | 107.1° | 155.0° |
| C1 | N1 | C2 | C3 | 133.3° | 85.0° |
| C1 | N1 | C2 | H1 | 14.5° | 35.0° |
| N1 | C1 | C25 | H15 | 11.8° | 40.1° |
| N2 | C11 | C12 | H16 | 118.4° | 120.0° |
| C11 | N2 | C10 | H39 | 180.0° | 180.0° |
| N2 | C11 | C12 | C13 | 60.2° | 65.0° |
| C11 | N2 | C10 | O3 | 0.9° | 0.0° |
| C11 | N2 | C10 | C2 | 178.1° | 180.0° |
| N2 | C11 | C12 | H7 | 59.6° | 175.0° |
| N2 | C11 | C12 | H8 | 180.0° | 55.0° |
| N2 | C11 | C19 | H21 | 66.0° | 175.0° |
| N2 | C11 | C19 | H22 | 53.9° | 55.0° |
| C12 | C11 | N2 | C10 | 133.3° | 85.0° |
| C11 | C12 | C13 | H7 | 119.8° | 120.0° |
| C11 | C12 | C13 | H8 | 119.8° | 120.0° |
| C11 | C12 | C13 | C18 | 89.3° | 90.1° |
| C11 | C12 | C13 | C14 | 90.3° | 89.7° |
| C11 | C12 | H7 | H8 | 120.6° | 120.0° |
| C12 | C11 | C19 | H21 | 173.8° | 55.0° |
| C12 | C11 | C19 | H22 | 66.3° | 65.0° |
| C12 | C11 | N2 | H39 | 46.7° | 95.0° |
| N2 | C10 | C2 | N1 | 125.3° | 180.0° |
| N2 | C10 | O3 | C2 | 178.9° | 179.9° |
| N2 | C10 | C2 | C3 | 115.6° | 60.1° |
| N2 | C10 | C2 | H1 | 3.1° | 60.0° |
| C10 | N2 | C11 | H16 | 15.6° | 35.0° |
| N1 | C2 | C10 | O3 | 55.7° | 0.0° |
| N1 | C2 | C10 | C3 | 119.1° | 120.0° |
| N1 | C2 | C10 | H1 | 122.2° | 119.9° |
| N1 | C2 | C3 | H1 | 119.5° | 119.9° |
| N1 | C2 | C3 | C4 | 68.9° | 65.0° |
| N1 | C2 | C3 | H2 | 171.4° | 175.1° |
| N1 | C2 | C3 | H3 | 50.9° | 55.1° |
| C12 | C13 | C18 | C14 | 179.7° | 179.8° |
| C12 | C13 | C18 | C17 | 179.7° | 179.8° |
| C12 | C13 | C14 | C15 | 179.8° | 180.0° |
| C13 | C12 | H7 | H8 | 120.6° | 120.0° |
| C13 | C12 | C11 | H16 | 58.2° | 54.9° |
| C12 | C13 | C14 | H17 | 0.2° | 0.0° |
| C12 | C13 | C18 | H20 | 0.3° | 0.1° |
| O3 | C10 | C2 | C3 | 63.3° | 120.0° |
| O3 | C10 | C2 | H1 | 178.0° | 119.9° |
| O3 | C10 | N2 | H39 | 179.1° | 179.9° |
| C10 | C2 | C3 | H1 | 118.7° | 120.1° |
| C10 | C2 | C3 | C4 | 169.4° | 175.0° |
| C10 | C2 | C3 | H2 | 49.6° | 55.0° |
| C10 | C2 | C3 | H3 | 70.9° | 65.0° |
| C10 | C2 | N1 | H38 | 72.9° | 25.0° |
| C2 | C10 | N2 | H39 | 1.9° | 0.0° |
| C2 | C3 | C4 | H2 | 119.7° | 119.9° |
| C2 | C3 | C4 | H3 | 119.7° | 120.0° |
| C2 | C3 | C4 | C9 | 92.4° | 100.0° |
| C2 | C3 | C4 | C5 | 86.8° | 80.1° |
| C2 | C3 | H2 | H3 | 120.8° | 120.0° |
| C3 | C2 | N1 | H38 | 46.7° | 95.0° |
| C13 | C18 | C17 | H20 | 180.0° | 179.9° |
| C18 | C13 | C14 | C15 | 0.2° | 0.2° |
| C13 | C18 | C17 | C16 | 0.0° | 0.4° |
| C18 | C13 | C12 | H7 | 30.5° | 149.9° |
| C18 | C13 | C12 | H8 | 150.9° | 30.0° |
| C18 | C13 | C14 | H17 | 179.8° | 179.8° |
| C13 | C18 | C17 | H19 | 180.0° | 179.8° |
| C14 | C13 | C18 | C17 | 0.1° | 0.4° |
| C13 | C14 | C15 | H17 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C14 | C13 | C12 | H7 | 149.8° | 30.3° |
| C14 | C13 | C12 | H8 | 29.4° | 150.3° |
| C13 | C14 | C15 | H18 | 179.8° | 180.0° |
| C14 | C13 | C18 | H20 | 180.0° | 179.7° |
| C3 | C4 | C9 | C5 | 179.2° | 180.0° |
| C3 | C4 | C9 | C8 | 179.4° | 180.0° |
| C3 | C4 | C5 | CL1 | 0.5° | 0.2° |
| C3 | C4 | C5 | C6 | 179.5° | 180.0° |
| C4 | C3 | C2 | H1 | 50.6° | 54.9° |
| C4 | C3 | H2 | H3 | 120.8° | 120.1° |
| C3 | C4 | C9 | H6 | 0.6° | 0.0° |
| C18 | C17 | C16 | H19 | 180.0° | 179.8° |
| C18 | C17 | C16 | C15 | 0.1° | 0.2° |
| C18 | C17 | C16 | F1 | 179.9° | 179.8° |
| C14 | C15 | C16 | C17 | 0.2° | 0.0° |
| C14 | C15 | C16 | H18 | 180.0° | 180.0° |
| C14 | C15 | C16 | F1 | 180.0° | 180.0° |
| C4 | C9 | C8 | H6 | 180.0° | 180.0° |
| C9 | C4 | C5 | CL1 | 179.6° | 179.7° |
| C9 | C4 | C5 | C6 | 0.3° | 0.0° |
| C4 | C9 | C8 | C7 | 0.0° | 0.0° |
| C9 | C4 | C3 | H2 | 147.9° | 19.9° |
| C9 | C4 | C3 | H3 | 27.3° | 140.0° |
| C4 | C9 | C8 | H5 | 179.9° | 179.9° |
| C5 | C4 | C9 | C8 | 0.3° | 0.0° |
| C4 | C5 | CL1 | C6 | 179.9° | 179.7° |
| C4 | C5 | C6 | C7 | 0.2° | 0.0° |
| C5 | C4 | C3 | H2 | 33.0° | 160.0° |
| C5 | C4 | C3 | H3 | 153.5° | 40.0° |
| C5 | C4 | C9 | H6 | 179.7° | 180.0° |
| C4 | C5 | C6 | H37 | 179.8° | 180.0° |
| C9 | C8 | C7 | H5 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.1° | 0.0° |
| C9 | C8 | C7 | CL2 | 179.9° | 180.0° |
| CL1 | C5 | C6 | C7 | 179.8° | 179.7° |
| CL1 | C5 | C6 | H37 | 0.3° | 0.2° |
| C5 | C6 | C7 | C8 | 0.1° | 0.0° |
| C5 | C6 | C7 | H37 | 180.0° | 180.0° |
| C5 | C6 | C7 | CL2 | 180.0° | 180.0° |
| C8 | C7 | C6 | CL2 | 180.0° | 180.0° |
| C7 | C8 | C9 | H6 | 180.0° | 180.0° |
| C8 | C7 | C6 | H37 | 180.0° | 180.0° |
| C6 | C7 | C8 | H5 | 179.9° | 179.9° |
| CL2 | C7 | C8 | H5 | 0.1° | 0.1° |
| CL2 | C7 | C6 | H37 | 0.0° | 0.0° |
| C17 | C16 | C15 | F1 | 179.8° | 180.0° |
| C17 | C16 | C15 | H18 | 179.8° | 180.0° |
| C16 | C17 | C18 | H20 | 180.0° | 179.7° |
| C16 | C15 | C14 | H17 | 179.8° | 180.0° |
| C15 | C16 | C17 | H19 | 179.9° | 180.0° |
| F1 | C16 | C15 | H18 | 0.0° | 0.0° |
| F1 | C16 | C17 | H19 | 0.1° | 0.0° |
| H1 | C2 | C3 | H2 | 69.1° | 65.0° |
| H1 | C2 | C3 | H3 | 170.4° | 175.0° |
| H1 | C2 | N1 | H38 | 165.5° | 145.0° |
| H5 | C8 | C9 | H6 | 0.0° | 0.1° |
| H7 | C12 | C11 | H16 | 178.0° | 65.0° |
| H8 | C12 | C11 | H16 | 61.6° | 175.0° |
| H9 | C26 | C25 | H15 | 59.9° | 175.0° |
| H10 | C26 | C25 | H15 | 179.6° | 65.0° |
| H11 | C22 | C23 | H13 | 169.5° | 60.0° |
| H11 | C22 | C23 | H14 | 49.5° | 180.0° |
| H11 | C22 | C21 | H23 | 146.0° | 180.0° |
| H11 | C22 | C21 | H24 | 93.4° | 60.0° |
| H12 | C22 | C23 | H13 | 70.9° | 180.0° |
| H12 | C22 | C23 | H14 | 169.1° | 60.0° |
| H12 | C22 | C21 | H23 | 26.4° | 60.0° |
| H12 | C22 | C21 | H24 | 147.0° | 180.0° |
| H13 | C23 | C24 | H25 | 137.5° | 60.0° |
| H13 | C23 | C24 | H26 | 102.6° | 179.9° |
| H14 | C23 | C24 | H25 | 17.6° | 179.9° |
| H14 | C23 | C24 | H26 | 137.4° | 60.0° |
| H15 | C25 | N5 | H41 | 59.3° | 56.1° |
| H15 | C25 | N5 | H42 | 60.7° | 180.0° |
| H16 | C11 | C19 | H21 | 54.4° | 65.0° |
| H16 | C11 | C19 | H22 | 174.2° | 174.9° |
| H16 | C11 | N2 | H39 | 164.4° | 145.0° |
| H17 | C14 | C15 | H18 | 0.3° | 0.0° |
| H19 | C17 | C18 | H20 | 0.0° | 0.2° |
| H23 | C21 | N3 | H40 | 155.6° | 120.0° |
| H24 | C21 | N3 | H40 | 83.8° | 120.0° |
| H27 | C30 | C31 | H28 | 0.7° | 0.0° |
| H28 | C31 | C32 | H29 | 0.7° | 0.1° |
| H29 | C32 | C33 | H30 | 0.3° | 0.0° |
| H31 | C34 | H32 | H33 | 120.0° | 120.1° |
| H34 | C35 | H35 | H36 | 120.0° | 120.0° |
