WCZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | N6 | sing | 1.47Å | 1.46Å | |
| N6 | C26 | sing | 1.47Å | 1.47Å | |
| N6 | C28 | sing | 1.47Å | 1.47Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C25 | N5 | sing | 1.47Å | 1.48Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | N5 | sing | 1.47Å | 1.48Å | |
| N5 | C24 | sing | 1.47Å | 1.30Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| N7 | C33 | trip | 1.14Å | 1.10Å | |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C32 | sing | 1.40Å | 1.39Å | Aromatic |
| C33 | C32 | sing | 1.43Å | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | N4 | sing | 1.46Å | 1.46Å | |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| N4 | C21 | sing | 1.35Å | 1.33Å | |
| C31 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.51Å | 1.51Å | |
| C30 | C1 | sing | 1.53Å | 1.56Å | |
| C21 | C20 | sing | 1.51Å | 1.57Å | |
| C21 | O1 | doub | 1.21Å | 1.19Å | |
| C20 | C12 | sing | 1.53Å | 1.54Å | |
| C1 | N1 | sing | 1.47Å | 1.43Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| O3 | C2 | doub | 1.21Å | 1.20Å | |
| C2 | N2 | sing | 1.35Å | 1.32Å | |
| C12 | N3 | sing | 1.46Å | 1.46Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| N3 | C11 | sing | 1.35Å | 1.32Å | |
| N2 | C3 | sing | 1.46Å | 1.42Å | |
| O2 | C11 | doub | 1.21Å | 1.20Å | |
| C11 | C3 | sing | 1.51Å | 1.55Å | |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C14 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.57Å | |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| CL1 | C6 | sing | 1.74Å | 1.73Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | CL2 | sing | 1.74Å | 1.73Å | |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | F1 | sing | 1.35Å | 1.36Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C13 | H28 | sing | 1.09Å | 1.10Å | |
| C13 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H30 | sing | 1.08Å | 1.08Å | |
| C16 | H31 | sing | 1.08Å | 1.08Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.08Å | 1.08Å | |
| C35 | H37 | sing | 1.08Å | 1.08Å | |
| C36 | H38 | sing | 1.08Å | 1.08Å | |
| C37 | H39 | sing | 1.08Å | 1.08Å | |
| N1 | H40 | sing | 1.01Å | 1.00Å | |
| N1 | H41 | sing | 1.01Å | 1.00Å | |
| N2 | H43 | sing | 0.97Å | 1.00Å | |
| N3 | H44 | sing | 0.97Å | 1.00Å | |
| N4 | H45 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | N6 | C26 | 110.3° | 111.0° |
| C27 | N6 | C28 | 110.5° | 111.0° |
| N6 | C27 | H20 | 109.5° | 109.5° |
| N6 | C27 | H21 | 109.5° | 109.5° |
| N6 | C27 | H22 | 109.5° | 109.4° |
| C26 | N6 | C28 | 109.8° | 110.9° |
| N6 | C26 | C25 | 111.4° | 109.4° |
| N6 | C26 | H18 | 109.0° | 109.5° |
| N6 | C26 | H19 | 109.0° | 109.6° |
| N6 | C28 | C29 | 110.8° | 109.4° |
| N6 | C28 | H34 | 109.1° | 109.5° |
| N6 | C28 | H35 | 109.2° | 109.5° |
| C26 | C25 | N5 | 111.5° | 109.4° |
| C26 | C25 | H16 | 109.0° | 109.5° |
| C26 | C25 | H17 | 109.0° | 109.5° |
| C25 | C26 | H18 | 109.0° | 109.5° |
| C25 | C26 | H19 | 109.0° | 109.5° |
| C25 | N5 | C29 | 109.6° | 110.9° |
| C25 | N5 | C24 | 110.2° | 111.0° |
| N5 | C25 | H16 | 109.0° | 109.5° |
| N5 | C25 | H17 | 108.9° | 109.5° |
| C28 | C29 | N5 | 112.2° | 109.4° |
| C28 | C29 | H23 | 108.8° | 109.5° |
| C28 | C29 | H24 | 108.8° | 109.5° |
| C29 | C28 | H34 | 109.1° | 109.5° |
| C29 | C28 | H35 | 109.1° | 109.5° |
| C29 | N5 | C24 | 108.4° | 111.0° |
| N5 | C29 | H23 | 108.8° | 109.5° |
| N5 | C29 | H24 | 108.8° | 109.5° |
| N5 | C24 | C23 | 111.0° | 109.5° |
| N5 | C24 | H32 | 109.1° | 109.5° |
| N5 | C24 | H33 | 109.1° | 109.5° |
| C24 | C23 | C22 | 108.1° | 109.5° |
| C24 | C23 | H14 | 109.8° | 109.4° |
| C24 | C23 | H15 | 109.8° | 109.5° |
| C23 | C24 | H32 | 109.1° | 109.4° |
| C23 | C24 | H33 | 109.1° | 109.5° |
| N7 | C33 | C32 | 179.4° | 180.0° |
| C35 | C34 | C32 | 119.1° | 119.8° |
| C34 | C35 | C36 | 120.3° | 120.2° |
| C35 | C34 | H36 | 120.5° | 120.0° |
| C34 | C35 | H37 | 119.9° | 120.0° |
| C34 | C32 | C33 | 120.1° | 120.1° |
| C34 | C32 | C31 | 121.1° | 119.7° |
| C32 | C34 | H36 | 120.5° | 120.1° |
| C33 | C32 | C31 | 118.9° | 120.1° |
| C23 | C22 | N4 | 109.0° | 109.5° |
| C23 | C22 | H12 | 109.6° | 109.5° |
| C23 | C22 | H13 | 109.6° | 109.4° |
| C22 | C23 | H14 | 109.8° | 109.5° |
| C22 | C23 | H15 | 109.8° | 109.5° |
| C35 | C36 | C37 | 120.3° | 120.3° |
| C36 | C35 | H37 | 119.9° | 119.9° |
| C35 | C36 | H38 | 119.9° | 119.9° |
| C32 | C31 | C37 | 119.7° | 119.8° |
| C32 | C31 | C30 | 119.5° | 120.1° |
| C22 | N4 | C21 | 120.2° | 120.0° |
| N4 | C22 | H12 | 109.6° | 109.5° |
| N4 | C22 | H13 | 109.6° | 109.5° |
| C22 | N4 | H45 | 119.9° | 120.0° |
| C36 | C37 | C31 | 119.6° | 120.1° |
| C37 | C36 | H38 | 119.8° | 119.8° |
| C36 | C37 | H39 | 120.2° | 120.0° |
| N4 | C21 | C20 | 118.2° | 120.0° |
| N4 | C21 | O1 | 120.4° | 120.0° |
| C21 | N4 | H45 | 119.9° | 120.0° |
| C37 | C31 | C30 | 120.9° | 120.1° |
| C31 | C37 | H39 | 120.2° | 119.9° |
| C31 | C30 | C1 | 109.9° | 109.5° |
| C31 | C30 | H25 | 109.4° | 109.4° |
| C31 | C30 | H26 | 109.4° | 109.5° |
| C30 | C1 | N1 | 110.1° | 109.5° |
| C30 | C1 | C2 | 110.7° | 109.5° |
| C30 | C1 | H1 | 108.8° | 109.5° |
| C1 | C30 | H25 | 109.3° | 109.5° |
| C1 | C30 | H26 | 109.4° | 109.5° |
| C20 | C21 | O1 | 121.4° | 120.0° |
| C21 | C20 | C12 | 111.3° | 109.5° |
| C21 | C20 | H10 | 109.0° | 109.5° |
| C21 | C20 | H11 | 109.0° | 109.5° |
| C20 | C12 | N3 | 108.7° | 109.5° |
| C20 | C12 | C13 | 112.3° | 109.5° |
| C12 | C20 | H10 | 109.0° | 109.5° |
| C12 | C20 | H11 | 109.0° | 109.5° |
| C20 | C12 | H27 | 109.0° | 109.5° |
| N1 | C1 | C2 | 107.7° | 109.5° |
| N1 | C1 | H1 | 110.6° | 109.4° |
| C1 | N1 | H40 | 109.5° | 110.9° |
| C1 | N1 | H41 | 109.4° | 111.0° |
| C1 | C2 | O3 | 120.4° | 120.0° |
| C1 | C2 | N2 | 119.0° | 120.0° |
| C2 | C1 | H1 | 109.0° | 109.4° |
| O3 | C2 | N2 | 120.6° | 120.0° |
| C2 | N2 | C3 | 120.5° | 120.0° |
| C2 | N2 | H43 | 119.7° | 119.9° |
| N3 | C12 | C13 | 107.2° | 109.4° |
| C12 | N3 | C11 | 119.8° | 120.0° |
| N3 | C12 | H27 | 110.1° | 109.5° |
| C12 | N3 | H44 | 120.1° | 120.0° |
| C12 | C13 | C14 | 110.3° | 109.5° |
| C13 | C12 | H27 | 109.5° | 109.5° |
| C12 | C13 | H28 | 109.3° | 109.5° |
| C12 | C13 | H29 | 109.3° | 109.5° |
| N3 | C11 | O2 | 120.3° | 120.0° |
| N3 | C11 | C3 | 118.3° | 120.0° |
| C11 | N3 | H44 | 120.1° | 120.0° |
| N2 | C3 | C11 | 113.0° | 109.5° |
| N2 | C3 | C4 | 108.0° | 109.5° |
| N2 | C3 | H2 | 110.9° | 109.5° |
| C3 | N2 | H43 | 119.8° | 120.0° |
| O2 | C11 | C3 | 121.4° | 120.0° |
| C11 | C3 | C4 | 106.6° | 109.5° |
| C11 | C3 | H2 | 109.2° | 109.4° |
| C13 | C14 | C19 | 121.1° | 120.0° |
| C13 | C14 | C15 | 119.8° | 120.0° |
| C14 | C13 | H28 | 109.3° | 109.5° |
| C14 | C13 | H29 | 109.3° | 109.4° |
| C3 | C4 | C5 | 107.6° | 109.5° |
| C4 | C3 | H2 | 109.0° | 109.5° |
| C3 | C4 | H3 | 109.9° | 109.5° |
| C3 | C4 | H4 | 109.9° | 109.5° |
| C19 | C14 | C15 | 119.1° | 120.1° |
| C14 | C19 | C18 | 120.7° | 120.0° |
| C14 | C19 | H9 | 119.6° | 120.0° |
| C14 | C15 | C16 | 120.2° | 120.0° |
| C14 | C15 | H30 | 119.9° | 120.0° |
| C4 | C5 | C10 | 120.3° | 120.0° |
| C4 | C5 | C6 | 119.6° | 120.0° |
| C5 | C4 | H3 | 109.9° | 109.4° |
| C5 | C4 | H4 | 109.9° | 109.5° |
| C19 | C18 | C17 | 120.0° | 119.9° |
| C19 | C18 | H8 | 120.0° | 120.0° |
| C18 | C19 | H9 | 119.6° | 119.9° |
| C15 | C16 | C17 | 120.5° | 120.0° |
| C16 | C15 | H30 | 119.9° | 120.0° |
| C15 | C16 | H31 | 119.8° | 120.0° |
| C10 | C5 | C6 | 120.2° | 120.0° |
| C5 | C10 | C9 | 119.9° | 120.0° |
| C5 | C10 | H7 | 120.0° | 120.0° |
| C5 | C6 | CL1 | 120.5° | 120.0° |
| C5 | C6 | C7 | 119.9° | 120.0° |
| C10 | C9 | C8 | 119.7° | 120.0° |
| C10 | C9 | H6 | 120.1° | 120.0° |
| C9 | C10 | H7 | 120.0° | 120.0° |
| CL1 | C6 | C7 | 119.6° | 120.0° |
| C6 | C7 | C8 | 120.1° | 120.0° |
| C6 | C7 | H5 | 120.0° | 120.0° |
| C9 | C8 | C7 | 120.2° | 120.0° |
| C9 | C8 | CL2 | 120.8° | 120.0° |
| C8 | C9 | H6 | 120.1° | 119.9° |
| C7 | C8 | CL2 | 119.1° | 120.0° |
| C8 | C7 | H5 | 120.0° | 120.0° |
| C18 | C17 | C16 | 119.5° | 120.0° |
| C18 | C17 | F1 | 120.0° | 120.0° |
| C17 | C18 | H8 | 120.0° | 120.0° |
| C16 | C17 | F1 | 120.5° | 120.0° |
| C17 | C16 | H31 | 119.8° | 120.0° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.5° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.4° |
| H16 | C25 | H17 | 109.5° | 109.5° |
| H18 | C26 | H19 | 109.5° | 109.5° |
| H20 | C27 | H21 | 109.5° | 109.5° |
| H20 | C27 | H22 | 109.5° | 109.5° |
| H21 | C27 | H22 | 109.5° | 109.5° |
| H23 | C29 | H24 | 109.5° | 109.4° |
| H25 | C30 | H26 | 109.5° | 109.5° |
| H28 | C13 | H29 | 109.5° | 109.5° |
| H32 | C24 | H33 | 109.5° | 109.5° |
| H34 | C28 | H35 | 109.5° | 109.5° |
| H40 | N1 | H41 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | N6 | C26 | C28 | 122.1° | 123.9° |
| C27 | N6 | C26 | C25 | 179.0° | 176.8° |
| C27 | N6 | C28 | C29 | 178.7° | 176.8° |
| C27 | N6 | C26 | H18 | 60.7° | 63.2° |
| C27 | N6 | C26 | H19 | 58.8° | 56.8° |
| N6 | C27 | H20 | H21 | 120.0° | 120.0° |
| N6 | C27 | H20 | H22 | 120.0° | 120.0° |
| N6 | C27 | H21 | H22 | 120.0° | 120.0° |
| C27 | N6 | C28 | H34 | 58.5° | 56.8° |
| C27 | N6 | C28 | H35 | 61.1° | 63.2° |
| N6 | C26 | C25 | H18 | 120.3° | 120.0° |
| N6 | C26 | C25 | H19 | 120.3° | 120.0° |
| N6 | C26 | C25 | N5 | 56.9° | 58.4° |
| C26 | N6 | C28 | C29 | 56.8° | 59.3° |
| N6 | C26 | C25 | H16 | 63.4° | 61.6° |
| N6 | C26 | C25 | H17 | 177.2° | 178.4° |
| N6 | C26 | H18 | H19 | 119.1° | 120.1° |
| C26 | N6 | C27 | H20 | 180.0° | 59.9° |
| C26 | N6 | C27 | H21 | 60.0° | 180.0° |
| C26 | N6 | C27 | H22 | 60.0° | 60.0° |
| C26 | N6 | C28 | H34 | 63.4° | 179.3° |
| C26 | N6 | C28 | H35 | 176.9° | 60.7° |
| C28 | N6 | C26 | C25 | 57.0° | 59.3° |
| N6 | C28 | C29 | H34 | 120.2° | 120.0° |
| N6 | C28 | C29 | H35 | 120.2° | 120.0° |
| N6 | C28 | C29 | N5 | 57.1° | 58.4° |
| C28 | N6 | C26 | H18 | 177.3° | 60.7° |
| C28 | N6 | C26 | H19 | 63.3° | 179.3° |
| C28 | N6 | C27 | H20 | 58.3° | 176.2° |
| C28 | N6 | C27 | H21 | 61.7° | 56.2° |
| C28 | N6 | C27 | H22 | 178.3° | 63.8° |
| N6 | C28 | C29 | H23 | 177.5° | 178.4° |
| N6 | C28 | C29 | H24 | 63.3° | 61.6° |
| N6 | C28 | H34 | H35 | 119.4° | 120.0° |
| C26 | C25 | N5 | H16 | 120.3° | 119.9° |
| C26 | C25 | N5 | H17 | 120.3° | 120.0° |
| C26 | C25 | N5 | C29 | 55.0° | 59.3° |
| C26 | C25 | N5 | C24 | 174.2° | 176.8° |
| C26 | C25 | H16 | H17 | 119.1° | 120.1° |
| C25 | C26 | H18 | H19 | 119.1° | 120.0° |
| C25 | N5 | C29 | C28 | 55.5° | 59.3° |
| C25 | N5 | C29 | C24 | 120.3° | 123.9° |
| C25 | N5 | C24 | C23 | 74.6° | 170.0° |
| N5 | C25 | H16 | H17 | 119.0° | 120.1° |
| N5 | C25 | C26 | H18 | 177.2° | 61.6° |
| N5 | C25 | C26 | H19 | 63.4° | 178.4° |
| C25 | N5 | C29 | H23 | 175.9° | 179.3° |
| C25 | N5 | C29 | H24 | 64.9° | 60.7° |
| C25 | N5 | C24 | H32 | 165.2° | 50.0° |
| C25 | N5 | C24 | H33 | 45.6° | 70.0° |
| C28 | C29 | N5 | H23 | 120.4° | 120.0° |
| C28 | C29 | N5 | H24 | 120.4° | 120.0° |
| C28 | C29 | N5 | C24 | 175.8° | 176.8° |
| C28 | C29 | H23 | H24 | 118.8° | 120.1° |
| C29 | C28 | H34 | H35 | 119.4° | 120.1° |
| C29 | N5 | C24 | C23 | 165.4° | 66.2° |
| C29 | N5 | C25 | H16 | 65.3° | 60.6° |
| C29 | N5 | C25 | H17 | 175.3° | 179.3° |
| N5 | C29 | H23 | H24 | 118.8° | 120.0° |
| C29 | N5 | C24 | H32 | 45.2° | 173.8° |
| C29 | N5 | C24 | H33 | 74.3° | 53.8° |
| N5 | C29 | C28 | H34 | 63.0° | 178.4° |
| N5 | C29 | C28 | H35 | 177.3° | 61.6° |
| N5 | C24 | C23 | H32 | 120.2° | 120.0° |
| N5 | C24 | C23 | H33 | 120.2° | 120.0° |
| N5 | C24 | C23 | C22 | 167.0° | 180.0° |
| N5 | C24 | C23 | H14 | 73.3° | 60.0° |
| N5 | C24 | C23 | H15 | 47.2° | 59.9° |
| C24 | N5 | C25 | H16 | 53.9° | 63.3° |
| C24 | N5 | C25 | H17 | 65.5° | 56.8° |
| C24 | N5 | C29 | H23 | 63.8° | 56.8° |
| C24 | N5 | C29 | H24 | 55.4° | 63.2° |
| N5 | C24 | H32 | H33 | 119.3° | 120.0° |
| C24 | C23 | C22 | H14 | 119.8° | 120.0° |
| C24 | C23 | C22 | H15 | 119.8° | 120.0° |
| C24 | C23 | C22 | N4 | 173.4° | 180.0° |
| C24 | C23 | C22 | H12 | 66.7° | 60.0° |
| C24 | C23 | C22 | H13 | 53.5° | 60.0° |
| C24 | C23 | H14 | H15 | 120.7° | 120.0° |
| C23 | C24 | H32 | H33 | 119.3° | 120.0° |
| N7 | C33 | C32 | C34 | 17.0° | 83.7° |
| N7 | C33 | C32 | C31 | 163.4° | 96.3° |
| C35 | C34 | C32 | H36 | 180.0° | 180.0° |
| C35 | C34 | C32 | C33 | 179.4° | 180.0° |
| C34 | C35 | C36 | H37 | 180.0° | 179.9° |
| C35 | C34 | C32 | C31 | 0.1° | 0.0° |
| C34 | C35 | C36 | C37 | 0.3° | 0.1° |
| C34 | C35 | C36 | H38 | 179.7° | 179.9° |
| C34 | C32 | C33 | C31 | 179.6° | 180.0° |
| C32 | C34 | C35 | C36 | 0.5° | 0.0° |
| C34 | C32 | C31 | C37 | 0.4° | 0.0° |
| C34 | C32 | C31 | C30 | 179.9° | 179.7° |
| C32 | C34 | C35 | H37 | 179.5° | 180.0° |
| C33 | C32 | C31 | C37 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 0.5° | 0.2° |
| C33 | C32 | C34 | H36 | 0.6° | 0.0° |
| C23 | C22 | N4 | H12 | 119.9° | 120.0° |
| C23 | C22 | N4 | H13 | 119.9° | 120.0° |
| C23 | C22 | N4 | C21 | 159.6° | 180.0° |
| C23 | C22 | H12 | H13 | 120.2° | 120.0° |
| C22 | C23 | H14 | H15 | 120.6° | 120.0° |
| C22 | C23 | C24 | H32 | 46.7° | 60.0° |
| C22 | C23 | C24 | H33 | 72.8° | 60.0° |
| C23 | C22 | N4 | H45 | 20.4° | 0.0° |
| C35 | C36 | C37 | H38 | 180.0° | 179.9° |
| C35 | C36 | C37 | C31 | 0.2° | 0.1° |
| C36 | C35 | C34 | H36 | 179.5° | 179.9° |
| C35 | C36 | C37 | H39 | 179.8° | 179.7° |
| C32 | C31 | C37 | C36 | 0.6° | 0.1° |
| C32 | C31 | C37 | C30 | 179.5° | 179.7° |
| C32 | C31 | C30 | C1 | 137.2° | 85.3° |
| C32 | C31 | C30 | H25 | 102.8° | 34.7° |
| C32 | C31 | C30 | H26 | 17.1° | 154.7° |
| C31 | C32 | C34 | H36 | 179.8° | 180.0° |
| C32 | C31 | C37 | H39 | 179.4° | 179.7° |
| C22 | N4 | C21 | H45 | 180.0° | 180.0° |
| C22 | N4 | C21 | C20 | 180.0° | 180.0° |
| C22 | N4 | C21 | O1 | 0.3° | 0.1° |
| N4 | C22 | H12 | H13 | 120.2° | 120.1° |
| N4 | C22 | C23 | H14 | 53.6° | 60.0° |
| N4 | C22 | C23 | H15 | 66.8° | 60.0° |
| C36 | C37 | C31 | H39 | 180.0° | 179.8° |
| C36 | C37 | C31 | C30 | 179.9° | 179.8° |
| C37 | C36 | C35 | H37 | 179.7° | 180.0° |
| N4 | C21 | C20 | O1 | 179.7° | 180.0° |
| N4 | C21 | C20 | C12 | 145.2° | 180.0° |
| N4 | C21 | C20 | H10 | 94.5° | 60.0° |
| N4 | C21 | C20 | H11 | 24.9° | 60.0° |
| C21 | N4 | C22 | H12 | 39.7° | 60.0° |
| C21 | N4 | C22 | H13 | 80.5° | 60.0° |
| C37 | C31 | C30 | C1 | 43.3° | 95.0° |
| C37 | C31 | C30 | H25 | 76.7° | 145.0° |
| C37 | C31 | C30 | H26 | 163.4° | 25.0° |
| C31 | C37 | C36 | H38 | 179.8° | 180.0° |
| C31 | C30 | C1 | H25 | 120.1° | 120.0° |
| C31 | C30 | C1 | H26 | 120.1° | 120.0° |
| C31 | C30 | C1 | N1 | 178.1° | 65.0° |
| C31 | C30 | C1 | C2 | 59.1° | 175.0° |
| C31 | C30 | C1 | H1 | 60.6° | 55.0° |
| C31 | C30 | H25 | H26 | 119.8° | 120.0° |
| C30 | C31 | C37 | H39 | 0.1° | 0.0° |
| C30 | C1 | N1 | C2 | 120.8° | 120.0° |
| C30 | C1 | N1 | H1 | 120.2° | 120.0° |
| C30 | C1 | C2 | H1 | 119.6° | 120.0° |
| C30 | C1 | C2 | O3 | 52.9° | 100.0° |
| C30 | C1 | C2 | N2 | 126.8° | 80.0° |
| C1 | C30 | H25 | H26 | 119.8° | 120.0° |
| C30 | C1 | N1 | H40 | 180.0° | 60.0° |
| C30 | C1 | N1 | H41 | 60.0° | 176.1° |
| C21 | C20 | C12 | H10 | 120.3° | 120.0° |
| C21 | C20 | C12 | H11 | 120.3° | 120.0° |
| C21 | C20 | C12 | N3 | 177.0° | 65.0° |
| C21 | C20 | C12 | C13 | 58.5° | 175.0° |
| C21 | C20 | H10 | H11 | 119.2° | 120.0° |
| C21 | C20 | C12 | H27 | 63.0° | 55.0° |
| C20 | C21 | N4 | H45 | 0.0° | 0.0° |
| O1 | C21 | C20 | C12 | 34.5° | 0.0° |
| O1 | C21 | C20 | H10 | 85.7° | 120.0° |
| O1 | C21 | C20 | H11 | 154.8° | 120.0° |
| O1 | C21 | N4 | H45 | 179.8° | 180.0° |
| C20 | C12 | N3 | C13 | 121.6° | 120.0° |
| C20 | C12 | N3 | H27 | 119.3° | 120.0° |
| C20 | C12 | C13 | H27 | 121.3° | 120.0° |
| C20 | C12 | N3 | C11 | 105.9° | 155.0° |
| C20 | C12 | C13 | C14 | 177.6° | 175.0° |
| C12 | C20 | H10 | H11 | 119.2° | 120.0° |
| C20 | C12 | C13 | H28 | 57.5° | 65.0° |
| C20 | C12 | C13 | H29 | 62.2° | 55.0° |
| C20 | C12 | N3 | H44 | 74.1° | 25.0° |
| N1 | C1 | C2 | H1 | 120.0° | 119.9° |
| N1 | C1 | C2 | O3 | 67.5° | 20.0° |
| N1 | C1 | C2 | N2 | 112.8° | 159.9° |
| N1 | C1 | C30 | H25 | 61.9° | 175.1° |
| N1 | C1 | C30 | H26 | 58.0° | 55.0° |
| C1 | N1 | H40 | H41 | 120.0° | 124.0° |
| C1 | C2 | O3 | N2 | 179.7° | 180.0° |
| C1 | C2 | N2 | C3 | 179.1° | 180.0° |
| C2 | C1 | C30 | H25 | 179.1° | 55.0° |
| C2 | C1 | C30 | H26 | 61.0° | 65.0° |
| C2 | C1 | N1 | H40 | 59.2° | 60.0° |
| C2 | C1 | N1 | H41 | 179.2° | 63.9° |
| C1 | C2 | N2 | H43 | 0.9° | 0.0° |
| O3 | C2 | N2 | C3 | 1.2° | 0.0° |
| O3 | C2 | C1 | H1 | 172.5° | 140.0° |
| O3 | C2 | N2 | H43 | 178.8° | 180.0° |
| C2 | N2 | C3 | H43 | 180.0° | 179.9° |
| C2 | N2 | C3 | C11 | 114.6° | 154.9° |
| C2 | N2 | C3 | C4 | 127.7° | 85.0° |
| N2 | C2 | C1 | H1 | 7.2° | 40.0° |
| C2 | N2 | C3 | H2 | 8.3° | 35.0° |
| N3 | C12 | C13 | H27 | 119.4° | 120.0° |
| C12 | N3 | C11 | H44 | 180.0° | 180.0° |
| C12 | N3 | C11 | O2 | 0.0° | 0.0° |
| C12 | N3 | C11 | C3 | 177.6° | 180.0° |
| N3 | C12 | C13 | C14 | 58.3° | 65.0° |
| N3 | C12 | C20 | H10 | 62.8° | 55.0° |
| N3 | C12 | C20 | H11 | 56.7° | 175.0° |
| N3 | C12 | C13 | H28 | 61.8° | 55.0° |
| N3 | C12 | C13 | H29 | 178.4° | 175.0° |
| C13 | C12 | N3 | C11 | 132.5° | 85.0° |
| C12 | C13 | C14 | H28 | 120.1° | 120.0° |
| C12 | C13 | C14 | H29 | 120.1° | 120.0° |
| C12 | C13 | C14 | C19 | 83.6° | 90.0° |
| C12 | C13 | C14 | C15 | 96.6° | 89.9° |
| C13 | C12 | C20 | H10 | 178.8° | 65.0° |
| C13 | C12 | C20 | H11 | 61.8° | 55.0° |
| C12 | C13 | H28 | H29 | 119.6° | 120.0° |
| C13 | C12 | N3 | H44 | 47.5° | 95.0° |
| N3 | C11 | C3 | N2 | 132.2° | 180.0° |
| N3 | C11 | O2 | C3 | 177.5° | 180.0° |
| N3 | C11 | C3 | C4 | 109.3° | 60.0° |
| N3 | C11 | C3 | H2 | 8.4° | 60.0° |
| C11 | N3 | C12 | H27 | 13.5° | 35.0° |
| N2 | C3 | C11 | O2 | 50.2° | 0.0° |
| N2 | C3 | C11 | C4 | 118.5° | 120.0° |
| N2 | C3 | C11 | H2 | 123.8° | 120.0° |
| N2 | C3 | C4 | H2 | 120.6° | 120.0° |
| N2 | C3 | C4 | C5 | 66.5° | 65.0° |
| N2 | C3 | C4 | H3 | 173.8° | 175.0° |
| N2 | C3 | C4 | H4 | 53.1° | 55.0° |
| O2 | C11 | C3 | C4 | 68.3° | 120.0° |
| O2 | C11 | C3 | H2 | 174.1° | 120.0° |
| O2 | C11 | N3 | H44 | 180.0° | 180.0° |
| C11 | C3 | C4 | H2 | 117.7° | 120.0° |
| C11 | C3 | C4 | C5 | 171.8° | 175.0° |
| C11 | C3 | C4 | H3 | 52.1° | 55.0° |
| C11 | C3 | C4 | H4 | 68.6° | 65.0° |
| C11 | C3 | N2 | H43 | 65.4° | 25.0° |
| C3 | C11 | N3 | H44 | 2.4° | 0.0° |
| C13 | C14 | C19 | C15 | 179.8° | 179.9° |
| C13 | C14 | C19 | C18 | 179.8° | 180.0° |
| C13 | C14 | C15 | C16 | 180.0° | 180.0° |
| C13 | C14 | C19 | H9 | 0.2° | 0.0° |
| C14 | C13 | C12 | H27 | 61.1° | 55.0° |
| C14 | C13 | H28 | H29 | 119.6° | 120.0° |
| C13 | C14 | C15 | H30 | 0.0° | 0.1° |
| C3 | C4 | C5 | H3 | 119.7° | 120.0° |
| C3 | C4 | C5 | H4 | 119.7° | 120.0° |
| C3 | C4 | C5 | C10 | 94.1° | 100.0° |
| C3 | C4 | C5 | C6 | 85.2° | 79.7° |
| C3 | C4 | H3 | H4 | 120.9° | 120.0° |
| C4 | C3 | N2 | H43 | 52.3° | 95.0° |
| C14 | C19 | C18 | H9 | 180.0° | 180.0° |
| C19 | C14 | C15 | C16 | 0.2° | 0.0° |
| C14 | C19 | C18 | C17 | 0.5° | 0.0° |
| C14 | C19 | C18 | H8 | 179.5° | 179.7° |
| C19 | C14 | C13 | H28 | 36.5° | 30.0° |
| C19 | C14 | C13 | H29 | 156.3° | 150.0° |
| C19 | C14 | C15 | H30 | 179.8° | 180.0° |
| C15 | C14 | C19 | C18 | 0.4° | 0.1° |
| C14 | C15 | C16 | H30 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| C15 | C14 | C19 | H9 | 179.6° | 179.9° |
| C15 | C14 | C13 | H28 | 143.2° | 150.0° |
| C15 | C14 | C13 | H29 | 23.5° | 30.1° |
| C14 | C15 | C16 | H31 | 180.0° | 179.9° |
| C4 | C5 | C10 | C6 | 179.3° | 179.6° |
| C4 | C5 | C10 | C9 | 179.5° | 179.7° |
| C4 | C5 | C6 | CL1 | 0.1° | 0.1° |
| C4 | C5 | C6 | C7 | 179.4° | 180.0° |
| C5 | C4 | C3 | H2 | 54.0° | 55.0° |
| C5 | C4 | H3 | H4 | 120.8° | 120.0° |
| C4 | C5 | C10 | H7 | 0.5° | 0.1° |
| C19 | C18 | C17 | H8 | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 0.3° | 0.0° |
| C19 | C18 | C17 | F1 | 179.9° | 179.8° |
| C15 | C16 | C17 | C18 | 0.0° | 0.0° |
| C15 | C16 | C17 | H31 | 180.0° | 179.9° |
| C15 | C16 | C17 | F1 | 179.8° | 179.8° |
| C5 | C10 | C9 | H7 | 180.0° | 179.7° |
| C10 | C5 | C6 | CL1 | 179.4° | 179.7° |
| C10 | C5 | C6 | C7 | 0.1° | 0.3° |
| C5 | C10 | C9 | C8 | 0.2° | 0.6° |
| C10 | C5 | C4 | H3 | 146.2° | 20.0° |
| C10 | C5 | C4 | H4 | 25.6° | 140.0° |
| C5 | C10 | C9 | H6 | 179.8° | 179.8° |
| C6 | C5 | C10 | C9 | 0.2° | 0.6° |
| C5 | C6 | CL1 | C7 | 179.5° | 180.0° |
| C5 | C6 | C7 | C8 | 0.0° | 0.0° |
| C6 | C5 | C4 | H3 | 34.5° | 160.3° |
| C6 | C5 | C4 | H4 | 155.1° | 40.3° |
| C5 | C6 | C7 | H5 | 180.0° | 179.9° |
| C6 | C5 | C10 | H7 | 179.8° | 179.7° |
| C10 | C9 | C8 | H6 | 180.0° | 179.7° |
| C10 | C9 | C8 | C7 | 0.0° | 0.3° |
| C10 | C9 | C8 | CL2 | 180.0° | 179.7° |
| CL1 | C6 | C7 | C8 | 179.6° | 180.0° |
| CL1 | C6 | C7 | H5 | 0.5° | 0.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | H5 | 180.0° | 179.9° |
| C6 | C7 | C8 | CL2 | 179.9° | 180.0° |
| C9 | C8 | C7 | CL2 | 180.0° | 180.0° |
| C9 | C8 | C7 | H5 | 179.9° | 180.0° |
| C8 | C9 | C10 | H7 | 179.8° | 179.8° |
| C7 | C8 | C9 | H6 | 180.0° | 179.9° |
| CL2 | C8 | C7 | H5 | 0.0° | 0.1° |
| CL2 | C8 | C9 | H6 | 0.0° | 0.0° |
| C18 | C17 | C16 | F1 | 179.8° | 179.7° |
| C17 | C18 | C19 | H9 | 179.5° | 180.0° |
| C18 | C17 | C16 | H31 | 180.0° | 180.0° |
| C16 | C17 | C18 | H8 | 179.7° | 179.7° |
| C17 | C16 | C15 | H30 | 180.0° | 179.9° |
| F1 | C17 | C18 | H8 | 0.1° | 0.1° |
| F1 | C17 | C16 | H31 | 0.2° | 0.3° |
| H1 | C1 | C30 | H25 | 59.4° | 65.0° |
| H1 | C1 | C30 | H26 | 179.3° | 175.0° |
| H1 | C1 | N1 | H40 | 59.8° | 180.0° |
| H1 | C1 | N1 | H41 | 60.2° | 56.1° |
| H2 | C3 | C4 | H3 | 65.7° | 64.9° |
| H2 | C3 | C4 | H4 | 173.7° | 175.0° |
| H2 | C3 | N2 | H43 | 171.7° | 145.0° |
| H6 | C9 | C10 | H7 | 0.2° | 0.1° |
| H8 | C18 | C19 | H9 | 0.5° | 0.3° |
| H10 | C20 | C12 | H27 | 57.2° | 175.0° |
| H11 | C20 | C12 | H27 | 176.7° | 65.0° |
| H12 | C22 | C23 | H14 | 173.5° | 60.0° |
| H12 | C22 | C23 | H15 | 53.1° | 180.0° |
| H12 | C22 | N4 | H45 | 140.3° | 120.0° |
| H13 | C22 | C23 | H14 | 66.3° | 180.0° |
| H13 | C22 | C23 | H15 | 173.3° | 60.0° |
| H13 | C22 | N4 | H45 | 99.5° | 120.0° |
| H14 | C23 | C24 | H32 | 166.5° | 180.0° |
| H14 | C23 | C24 | H33 | 46.9° | 60.0° |
| H15 | C23 | C24 | H32 | 73.1° | 60.0° |
| H15 | C23 | C24 | H33 | 167.4° | 179.9° |
| H16 | C25 | C26 | H18 | 56.9° | 178.5° |
| H16 | C25 | C26 | H19 | 176.3° | 58.5° |
| H17 | C25 | C26 | H18 | 62.5° | 58.4° |
| H17 | C25 | C26 | H19 | 56.9° | 61.6° |
| H20 | C27 | H21 | H22 | 120.0° | 120.0° |
| H23 | C29 | C28 | H34 | 57.4° | 61.6° |
| H23 | C29 | C28 | H35 | 62.3° | 58.4° |
| H24 | C29 | C28 | H34 | 176.6° | 58.4° |
| H24 | C29 | C28 | H35 | 56.9° | 178.5° |
| H27 | C12 | C13 | H28 | 178.8° | 175.0° |
| H27 | C12 | C13 | H29 | 59.0° | 65.0° |
| H27 | C12 | N3 | H44 | 166.5° | 145.0° |
| H30 | C15 | C16 | H31 | 0.0° | 0.0° |
| H36 | C34 | C35 | H37 | 0.5° | 0.0° |
| H37 | C35 | C36 | H38 | 0.3° | 0.1° |
| H38 | C36 | C37 | H39 | 0.2° | 0.2° |
