WDQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | N5 | doub | 1.32Å | 1.36Å | Aromatic |
| N6 | C33 | trip | 1.14Å | 1.15Å | |
| C33 | C32 | sing | 1.43Å | 1.49Å | |
| C25 | C24 | sing | 1.51Å | 1.50Å | |
| C25 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C32 | doub | 1.40Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| N5 | C29 | sing | 1.32Å | 1.36Å | Aromatic |
| C32 | C31 | sing | 1.40Å | 1.38Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.50Å | |
| C31 | C30 | sing | 1.51Å | 1.51Å | |
| C31 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| C36 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C1 | sing | 1.53Å | 1.51Å | |
| C22 | N4 | sing | 1.46Å | 1.46Å | |
| N4 | C21 | sing | 1.35Å | 1.33Å | |
| C1 | N1 | sing | 1.47Å | 1.47Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C21 | C20 | sing | 1.51Å | 1.50Å | |
| C21 | O1 | doub | 1.21Å | 1.24Å | |
| C20 | C12 | sing | 1.53Å | 1.50Å | |
| O3 | C2 | doub | 1.21Å | 1.23Å | |
| C2 | N2 | sing | 1.35Å | 1.33Å | |
| C12 | N3 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| N2 | C3 | sing | 1.47Å | 1.46Å | |
| N3 | C11 | sing | 1.35Å | 1.33Å | |
| O2 | C11 | doub | 1.21Å | 1.19Å | |
| C11 | C3 | sing | 1.51Å | 1.49Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C14 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | CL1 | sing | 1.74Å | 1.72Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | 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 | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | 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 | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C28 | H20 | sing | 1.08Å | 1.08Å | |
| C29 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.08Å | 1.08Å | |
| C35 | H26 | sing | 1.08Å | 1.08Å | |
| C36 | H27 | sing | 1.08Å | 1.08Å | |
| C37 | H28 | sing | 1.08Å | 1.08Å | |
| C4 | H29 | sing | 1.09Å | 1.10Å | |
| C4 | H30 | sing | 1.09Å | 1.10Å | |
| C7 | H31 | sing | 1.08Å | 1.08Å | |
| C9 | H32 | sing | 1.08Å | 1.08Å | |
| N1 | H33 | sing | 1.01Å | 1.00Å | |
| N1 | H34 | sing | 1.01Å | 1.00Å | |
| N2 | H36 | sing | 0.97Å | 1.00Å | |
| N3 | H37 | sing | 0.97Å | 1.00Å | |
| N4 | H38 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C27 | C28 | 119.8° | 119.1° |
| C27 | C26 | C25 | 119.2° | 118.4° |
| C27 | C26 | H18 | 120.4° | 120.8° |
| C26 | C27 | H19 | 120.1° | 120.4° |
| C27 | C28 | N5 | 120.4° | 120.8° |
| C28 | C27 | H19 | 120.1° | 120.4° |
| C27 | C28 | H20 | 119.8° | 119.6° |
| C26 | C25 | C24 | 121.0° | 120.4° |
| C26 | C25 | C29 | 119.1° | 119.2° |
| C25 | C26 | H18 | 120.4° | 120.8° |
| C28 | N5 | C29 | 119.9° | 121.7° |
| N5 | C28 | H20 | 119.8° | 119.7° |
| N6 | C33 | C32 | 179.4° | 180.0° |
| C33 | C32 | C34 | 120.3° | 120.2° |
| C33 | C32 | C31 | 118.3° | 120.1° |
| C24 | C25 | C29 | 119.9° | 120.4° |
| C25 | C24 | C23 | 110.7° | 109.4° |
| C25 | C24 | H16 | 109.1° | 109.5° |
| C25 | C24 | H17 | 109.1° | 109.4° |
| C25 | C29 | N5 | 121.6° | 120.8° |
| C25 | C29 | H21 | 119.2° | 119.6° |
| C32 | C34 | C35 | 119.9° | 119.8° |
| C34 | C32 | C31 | 121.5° | 119.7° |
| C32 | C34 | H25 | 120.0° | 120.1° |
| C34 | C35 | C36 | 119.2° | 120.2° |
| C35 | C34 | H25 | 120.0° | 120.1° |
| C34 | C35 | H26 | 120.4° | 119.9° |
| N5 | C29 | H21 | 119.2° | 119.6° |
| C32 | C31 | C30 | 119.5° | 120.1° |
| C32 | C31 | C37 | 118.5° | 119.8° |
| C35 | C36 | C37 | 120.4° | 120.3° |
| C36 | C35 | H26 | 120.4° | 119.9° |
| C35 | C36 | H27 | 119.8° | 119.9° |
| C24 | C23 | C22 | 108.1° | 109.4° |
| C24 | C23 | H14 | 109.8° | 109.5° |
| C24 | C23 | H15 | 109.8° | 109.5° |
| C23 | C24 | H16 | 109.1° | 109.5° |
| C23 | C24 | H17 | 109.2° | 109.5° |
| C30 | C31 | C37 | 122.1° | 120.1° |
| C31 | C30 | C1 | 110.8° | 109.5° |
| C31 | C30 | H23 | 109.2° | 109.4° |
| C31 | C30 | H24 | 109.2° | 109.5° |
| C31 | C37 | C36 | 120.6° | 120.2° |
| C31 | C37 | H28 | 119.7° | 119.9° |
| C23 | C22 | N4 | 108.5° | 109.5° |
| C23 | C22 | H12 | 109.7° | 109.5° |
| C23 | C22 | H13 | 109.7° | 109.5° |
| C22 | C23 | H14 | 109.8° | 109.5° |
| C22 | C23 | H15 | 109.8° | 109.5° |
| C37 | C36 | H27 | 119.8° | 119.8° |
| C36 | C37 | H28 | 119.7° | 119.9° |
| C30 | C1 | N1 | 112.4° | 109.5° |
| C30 | C1 | C2 | 108.6° | 109.5° |
| C30 | C1 | H1 | 107.2° | 109.5° |
| C1 | C30 | H23 | 109.1° | 109.5° |
| C1 | C30 | H24 | 109.1° | 109.5° |
| C22 | N4 | C21 | 121.7° | 120.0° |
| N4 | C22 | H12 | 109.7° | 109.4° |
| N4 | C22 | H13 | 109.7° | 109.5° |
| C22 | N4 | H38 | 119.1° | 120.0° |
| N4 | C21 | C20 | 119.3° | 120.0° |
| N4 | C21 | O1 | 120.7° | 120.0° |
| C21 | N4 | H38 | 119.2° | 120.0° |
| N1 | C1 | C2 | 113.4° | 109.5° |
| N1 | C1 | H1 | 107.7° | 109.4° |
| C1 | N1 | H33 | 109.5° | 111.0° |
| C1 | N1 | H34 | 109.5° | 110.9° |
| C1 | C2 | O3 | 120.9° | 120.0° |
| C1 | C2 | N2 | 119.0° | 120.0° |
| C2 | C1 | H1 | 107.3° | 109.4° |
| C20 | C21 | O1 | 120.1° | 120.0° |
| C21 | C20 | C12 | 110.4° | 109.5° |
| C21 | C20 | H10 | 109.3° | 109.5° |
| C21 | C20 | H11 | 109.3° | 109.5° |
| C20 | C12 | N3 | 110.8° | 109.5° |
| C20 | C12 | C13 | 111.1° | 109.5° |
| C20 | C12 | H3 | 108.3° | 109.5° |
| C12 | C20 | H10 | 109.2° | 109.4° |
| C12 | C20 | H11 | 109.2° | 109.4° |
| O3 | C2 | N2 | 120.1° | 120.0° |
| C2 | N2 | C3 | 120.8° | 120.0° |
| C2 | N2 | H36 | 119.6° | 120.0° |
| N3 | C12 | C13 | 109.8° | 109.5° |
| C12 | N3 | C11 | 120.4° | 120.0° |
| N3 | C12 | H3 | 108.7° | 109.4° |
| C12 | N3 | H37 | 119.8° | 120.0° |
| C12 | C13 | C14 | 110.1° | 109.5° |
| C13 | C12 | H3 | 108.1° | 109.5° |
| C12 | C13 | H4 | 109.3° | 109.5° |
| C12 | C13 | H5 | 109.3° | 109.5° |
| N2 | C3 | C11 | 109.7° | 109.5° |
| N2 | C3 | C4 | 109.7° | 109.5° |
| N2 | C3 | H22 | 110.6° | 109.4° |
| C3 | N2 | H36 | 119.6° | 120.0° |
| N3 | C11 | O2 | 120.2° | 120.0° |
| N3 | C11 | C3 | 120.6° | 120.0° |
| C11 | N3 | H37 | 119.8° | 120.0° |
| O2 | C11 | C3 | 119.2° | 120.0° |
| C11 | C3 | C4 | 106.7° | 109.5° |
| C11 | C3 | H22 | 110.2° | 109.5° |
| C13 | C14 | C19 | 120.6° | 120.0° |
| C13 | C14 | C15 | 120.4° | 119.9° |
| C14 | C13 | H4 | 109.3° | 109.4° |
| C14 | C13 | H5 | 109.3° | 109.5° |
| C3 | C4 | C5 | 109.4° | 109.5° |
| C4 | C3 | H22 | 109.9° | 109.5° |
| C3 | C4 | H29 | 109.5° | 109.5° |
| C3 | C4 | H30 | 109.5° | 109.5° |
| C19 | C14 | C15 | 119.0° | 120.1° |
| C14 | C19 | C18 | 120.3° | 120.0° |
| C14 | C19 | H9 | 119.8° | 120.0° |
| C14 | C15 | C16 | 120.7° | 120.1° |
| C14 | C15 | H6 | 119.6° | 120.0° |
| C4 | C5 | C10 | 120.2° | 120.0° |
| C4 | C5 | C6 | 120.6° | 120.0° |
| C5 | C4 | H29 | 109.5° | 109.5° |
| C5 | C4 | H30 | 109.5° | 109.4° |
| C19 | C18 | C17 | 120.6° | 120.0° |
| C19 | C18 | H8 | 119.7° | 120.0° |
| C18 | C19 | H9 | 119.8° | 120.0° |
| C5 | C10 | C9 | 119.5° | 120.0° |
| C10 | C5 | C6 | 119.3° | 120.0° |
| C5 | C10 | H2 | 120.3° | 120.0° |
| C10 | C9 | C8 | 120.4° | 120.0° |
| C9 | C10 | H2 | 120.3° | 120.0° |
| C10 | C9 | H32 | 119.8° | 120.0° |
| C5 | C6 | CL1 | 121.5° | 120.0° |
| C5 | C6 | C7 | 121.3° | 120.0° |
| C15 | C16 | C17 | 119.9° | 119.9° |
| C16 | C15 | H6 | 119.6° | 120.0° |
| C15 | C16 | H7 | 120.0° | 120.1° |
| C9 | C8 | C7 | 120.1° | 120.0° |
| C9 | C8 | CL2 | 121.8° | 120.0° |
| C8 | C9 | H32 | 119.8° | 120.0° |
| CL1 | C6 | C7 | 117.2° | 120.0° |
| C6 | C7 | C8 | 119.5° | 120.0° |
| C6 | C7 | H31 | 120.3° | 120.0° |
| C7 | C8 | CL2 | 118.1° | 120.0° |
| C8 | C7 | H31 | 120.3° | 120.0° |
| C18 | C17 | C16 | 119.5° | 119.9° |
| C18 | C17 | F1 | 119.9° | 120.0° |
| C17 | C18 | H8 | 119.7° | 120.0° |
| C16 | C17 | F1 | 120.6° | 120.0° |
| C17 | C16 | H7 | 120.0° | 120.0° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.5° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.5° |
| H16 | C24 | H17 | 109.5° | 109.5° |
| H23 | C30 | H24 | 109.4° | 109.4° |
| H29 | C4 | H30 | 109.5° | 109.5° |
| H33 | N1 | H34 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C27 | C28 | H19 | 180.0° | 180.0° |
| C27 | C26 | C25 | H18 | 180.0° | 179.9° |
| C26 | C27 | C28 | N5 | 0.1° | 0.0° |
| C27 | C26 | C25 | C24 | 179.7° | 180.0° |
| C27 | C26 | C25 | C29 | 0.1° | 0.3° |
| C26 | C27 | C28 | H20 | 179.8° | 180.0° |
| C28 | C27 | C26 | C25 | 0.0° | 0.0° |
| C27 | C28 | N5 | H20 | 180.0° | 180.0° |
| C27 | C28 | N5 | C29 | 0.2° | 0.3° |
| C28 | C27 | C26 | H18 | 180.0° | 180.0° |
| C26 | C25 | C24 | C29 | 179.5° | 179.8° |
| C26 | C25 | C29 | N5 | 0.1° | 0.5° |
| C26 | C25 | C24 | C23 | 99.4° | 89.7° |
| C26 | C25 | C24 | H16 | 140.4° | 150.3° |
| C26 | C25 | C24 | H17 | 20.8° | 30.2° |
| C25 | C26 | C27 | H19 | 180.0° | 180.0° |
| C26 | C25 | C29 | H21 | 179.9° | 179.7° |
| C28 | N5 | C29 | C25 | 0.0° | 0.5° |
| N5 | C28 | C27 | H19 | 179.9° | 180.0° |
| C28 | N5 | C29 | H21 | 180.0° | 179.7° |
| N6 | C33 | C32 | C34 | 166.7° | 117.0° |
| N6 | C33 | C32 | C31 | 13.4° | 63.0° |
| C33 | C32 | C34 | C31 | 180.0° | 179.9° |
| C33 | C32 | C34 | C35 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 0.3° | 0.0° |
| C33 | C32 | C31 | C37 | 179.9° | 179.7° |
| C33 | C32 | C34 | H25 | 0.0° | 0.0° |
| C24 | C25 | C29 | N5 | 179.6° | 179.7° |
| C25 | C24 | C23 | H16 | 120.2° | 120.0° |
| C25 | C24 | C23 | H17 | 120.2° | 119.9° |
| C25 | C24 | C23 | C22 | 179.1° | 180.0° |
| C25 | C24 | C23 | H14 | 61.1° | 60.0° |
| C25 | C24 | C23 | H15 | 59.3° | 60.0° |
| C25 | C24 | H16 | H17 | 119.4° | 120.0° |
| C24 | C25 | C26 | H18 | 0.3° | 0.0° |
| C24 | C25 | C29 | H21 | 0.3° | 0.0° |
| C25 | C29 | N5 | H21 | 180.0° | 179.8° |
| C29 | C25 | C24 | C23 | 81.0° | 90.0° |
| C29 | C25 | C24 | H16 | 39.1° | 29.9° |
| C29 | C25 | C24 | H17 | 158.8° | 150.0° |
| C29 | C25 | C26 | H18 | 179.9° | 179.8° |
| C32 | C34 | C35 | H25 | 180.0° | 180.0° |
| C32 | C34 | C35 | C36 | 0.0° | 0.0° |
| C34 | C32 | C31 | C30 | 179.6° | 180.0° |
| C34 | C32 | C31 | C37 | 0.1° | 0.2° |
| C32 | C34 | C35 | H26 | 180.0° | 180.0° |
| C35 | C34 | C32 | C31 | 0.0° | 0.0° |
| C34 | C35 | C36 | H26 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.2° | 0.3° |
| C34 | C35 | C36 | H27 | 179.8° | 180.0° |
| C29 | N5 | C28 | H20 | 179.8° | 179.7° |
| C32 | C31 | C30 | C37 | 179.7° | 179.8° |
| C32 | C31 | C37 | C36 | 0.2° | 0.5° |
| C32 | C31 | C30 | C1 | 134.9° | 85.2° |
| C32 | C31 | C30 | H23 | 104.9° | 34.7° |
| C32 | C31 | C30 | H24 | 14.7° | 154.7° |
| C31 | C32 | C34 | H25 | 180.0° | 180.0° |
| C32 | C31 | C37 | H28 | 179.7° | 179.7° |
| C35 | C36 | C37 | C31 | 0.3° | 0.6° |
| C35 | C36 | C37 | H27 | 180.0° | 179.7° |
| C36 | C35 | C34 | H25 | 180.0° | 180.0° |
| C35 | C36 | C37 | H28 | 179.7° | 179.7° |
| C24 | C23 | C22 | H14 | 119.8° | 120.0° |
| C24 | C23 | C22 | H15 | 119.8° | 120.0° |
| C24 | C23 | C22 | N4 | 164.0° | 180.0° |
| C24 | C23 | C22 | H12 | 76.2° | 60.0° |
| C24 | C23 | C22 | H13 | 44.2° | 60.0° |
| C24 | C23 | H14 | H15 | 120.6° | 120.0° |
| C23 | C24 | H16 | H17 | 119.4° | 120.0° |
| C30 | C31 | C37 | C36 | 179.5° | 179.7° |
| C31 | C30 | C1 | H23 | 120.2° | 120.0° |
| C31 | C30 | C1 | H24 | 120.2° | 120.1° |
| C31 | C30 | C1 | N1 | 174.8° | 65.0° |
| C31 | C30 | C1 | C2 | 58.9° | 175.0° |
| C31 | C30 | C1 | H1 | 56.7° | 55.0° |
| C31 | C30 | H23 | H24 | 119.4° | 120.0° |
| C30 | C31 | C37 | H28 | 0.5° | 0.0° |
| C31 | C37 | C36 | H28 | 180.0° | 179.7° |
| C37 | C31 | C30 | C1 | 45.4° | 95.0° |
| C37 | C31 | C30 | H23 | 74.8° | 145.0° |
| C37 | C31 | C30 | H24 | 165.6° | 25.1° |
| C31 | C37 | C36 | H27 | 179.7° | 179.8° |
| C23 | C22 | N4 | H12 | 119.9° | 120.0° |
| C23 | C22 | N4 | H13 | 119.8° | 120.1° |
| C23 | C22 | N4 | C21 | 155.4° | 180.0° |
| C23 | C22 | H12 | H13 | 120.5° | 120.0° |
| C22 | C23 | H14 | H15 | 120.6° | 120.0° |
| C22 | C23 | C24 | H16 | 58.9° | 60.0° |
| C22 | C23 | C24 | H17 | 60.7° | 60.1° |
| C23 | C22 | N4 | H38 | 24.5° | 0.0° |
| C37 | C36 | C35 | H26 | 179.8° | 179.7° |
| C30 | C1 | N1 | C2 | 123.6° | 120.1° |
| C30 | C1 | N1 | H1 | 117.9° | 120.0° |
| C30 | C1 | C2 | H1 | 115.6° | 120.0° |
| C30 | C1 | C2 | O3 | 44.1° | 100.0° |
| C30 | C1 | C2 | N2 | 134.9° | 80.0° |
| C1 | C30 | H23 | H24 | 119.4° | 120.0° |
| C30 | C1 | N1 | H33 | 180.0° | 63.9° |
| C30 | C1 | N1 | H34 | 60.0° | 60.0° |
| C22 | N4 | C21 | H38 | 180.0° | 180.0° |
| C22 | N4 | C21 | C20 | 179.6° | 180.0° |
| C22 | N4 | C21 | O1 | 0.8° | 0.0° |
| N4 | C22 | H12 | H13 | 120.4° | 120.0° |
| N4 | C22 | C23 | H14 | 44.2° | 59.9° |
| N4 | C22 | C23 | H15 | 76.2° | 60.1° |
| N4 | C21 | C20 | O1 | 179.5° | 180.0° |
| N4 | C21 | C20 | C12 | 130.2° | 180.0° |
| N4 | C21 | C20 | H10 | 109.7° | 60.0° |
| N4 | C21 | C20 | H11 | 10.1° | 60.0° |
| C21 | N4 | C22 | H12 | 35.6° | 60.0° |
| C21 | N4 | C22 | H13 | 84.7° | 59.9° |
| N1 | C1 | C2 | H1 | 118.8° | 119.9° |
| N1 | C1 | C2 | O3 | 81.5° | 20.1° |
| N1 | C1 | C2 | N2 | 99.4° | 160.0° |
| N1 | C1 | C30 | H23 | 54.6° | 175.1° |
| N1 | C1 | C30 | H24 | 64.9° | 55.1° |
| C1 | N1 | H33 | H34 | 120.0° | 123.8° |
| C1 | C2 | O3 | N2 | 179.0° | 180.0° |
| C1 | C2 | N2 | C3 | 179.1° | 180.0° |
| C2 | C1 | C30 | H23 | 179.2° | 55.0° |
| C2 | C1 | C30 | H24 | 61.3° | 64.9° |
| C2 | C1 | N1 | H33 | 56.4° | 176.1° |
| C2 | C1 | N1 | H34 | 176.4° | 60.0° |
| C1 | C2 | N2 | H36 | 0.9° | 0.1° |
| C21 | C20 | C12 | H10 | 120.2° | 120.0° |
| C21 | C20 | C12 | H11 | 120.2° | 120.0° |
| C21 | C20 | C12 | N3 | 177.3° | 65.0° |
| C21 | C20 | C12 | C13 | 55.0° | 175.0° |
| C21 | C20 | C12 | H3 | 63.6° | 54.9° |
| C21 | C20 | H10 | H11 | 119.6° | 120.1° |
| C20 | C21 | N4 | H38 | 0.4° | 0.0° |
| O1 | C21 | C20 | C12 | 50.3° | 0.0° |
| O1 | C21 | C20 | H10 | 69.9° | 120.0° |
| O1 | C21 | C20 | H11 | 170.4° | 120.0° |
| O1 | C21 | N4 | H38 | 179.2° | 180.0° |
| C20 | C12 | N3 | C13 | 123.0° | 120.0° |
| C20 | C12 | N3 | H3 | 118.9° | 120.0° |
| C20 | C12 | C13 | H3 | 118.7° | 120.1° |
| C20 | C12 | N3 | C11 | 88.9° | 155.0° |
| C20 | C12 | C13 | C14 | 173.5° | 175.0° |
| C20 | C12 | C13 | H4 | 66.4° | 65.0° |
| C20 | C12 | C13 | H5 | 53.4° | 55.0° |
| C12 | C20 | H10 | H11 | 119.6° | 120.0° |
| C20 | C12 | N3 | H37 | 91.1° | 25.0° |
| O3 | C2 | N2 | C3 | 0.1° | 0.1° |
| O3 | C2 | C1 | H1 | 159.7° | 140.0° |
| O3 | C2 | N2 | H36 | 179.9° | 179.9° |
| C2 | N2 | C3 | H36 | 180.0° | 179.9° |
| C2 | N2 | C3 | C11 | 102.8° | 155.0° |
| C2 | N2 | C3 | C4 | 140.4° | 85.0° |
| N2 | C2 | C1 | H1 | 19.3° | 40.0° |
| C2 | N2 | C3 | H22 | 19.0° | 35.1° |
| N3 | C12 | C13 | H3 | 118.4° | 119.9° |
| C12 | N3 | C11 | H37 | 180.0° | 180.0° |
| C12 | N3 | C11 | O2 | 0.9° | 0.0° |
| C12 | N3 | C11 | C3 | 177.4° | 180.0° |
| N3 | C12 | C13 | C14 | 63.7° | 64.9° |
| N3 | C12 | C13 | H4 | 56.4° | 55.0° |
| N3 | C12 | C13 | H5 | 176.2° | 175.0° |
| N3 | C12 | C20 | H10 | 62.6° | 175.1° |
| N3 | C12 | C20 | H11 | 57.1° | 55.1° |
| C13 | C12 | N3 | C11 | 148.0° | 84.9° |
| C12 | C13 | C14 | H4 | 120.1° | 120.0° |
| C12 | C13 | C14 | H5 | 120.1° | 120.1° |
| C12 | C13 | C14 | C19 | 85.2° | 90.0° |
| C12 | C13 | C14 | C15 | 94.6° | 89.7° |
| C12 | C13 | H4 | H5 | 119.7° | 120.0° |
| C13 | C12 | C20 | H10 | 175.2° | 55.0° |
| C13 | C12 | C20 | H11 | 65.1° | 65.0° |
| C13 | C12 | N3 | H37 | 32.0° | 95.0° |
| N2 | C3 | C11 | N3 | 136.2° | 180.0° |
| N2 | C3 | C11 | O2 | 45.4° | 0.0° |
| N2 | C3 | C11 | C4 | 118.7° | 120.0° |
| N2 | C3 | C11 | H22 | 122.0° | 119.9° |
| N2 | C3 | C4 | H22 | 121.8° | 120.0° |
| N2 | C3 | C4 | C5 | 79.0° | 65.0° |
| N2 | C3 | C4 | H29 | 161.0° | 175.0° |
| N2 | C3 | C4 | H30 | 40.9° | 55.0° |
| N3 | C11 | O2 | C3 | 178.4° | 180.0° |
| N3 | C11 | C3 | C4 | 105.0° | 60.0° |
| C11 | N3 | C12 | H3 | 29.9° | 35.0° |
| N3 | C11 | C3 | H22 | 14.2° | 60.0° |
| O2 | C11 | C3 | C4 | 73.3° | 120.0° |
| O2 | C11 | C3 | H22 | 167.4° | 120.0° |
| O2 | C11 | N3 | H37 | 179.1° | 180.0° |
| C11 | C3 | C4 | H22 | 119.4° | 120.0° |
| C11 | C3 | C4 | C5 | 162.2° | 175.0° |
| C11 | C3 | C4 | H29 | 42.2° | 55.0° |
| C11 | C3 | C4 | H30 | 77.8° | 65.1° |
| C11 | C3 | N2 | H36 | 77.2° | 25.1° |
| C3 | C11 | N3 | H37 | 2.6° | 0.0° |
| C13 | C14 | C19 | C15 | 179.8° | 179.7° |
| C13 | C14 | C19 | C18 | 179.8° | 179.8° |
| C13 | C14 | C15 | C16 | 179.9° | 180.0° |
| C14 | C13 | C12 | H3 | 54.8° | 55.0° |
| C14 | C13 | H4 | H5 | 119.7° | 120.0° |
| C13 | C14 | C15 | H6 | 0.1° | 0.1° |
| C13 | C14 | C19 | H9 | 0.2° | 0.0° |
| C3 | C4 | C5 | H29 | 120.0° | 120.0° |
| C3 | C4 | C5 | H30 | 120.0° | 120.0° |
| C3 | C4 | C5 | C10 | 89.8° | 100.0° |
| C3 | C4 | C5 | C6 | 89.3° | 79.9° |
| C3 | C4 | H29 | H30 | 120.1° | 120.0° |
| C4 | C3 | N2 | H36 | 39.6° | 94.9° |
| C14 | C19 | C18 | H9 | 180.0° | 179.8° |
| C19 | C14 | C15 | C16 | 0.1° | 0.2° |
| C14 | C19 | C18 | C17 | 0.0° | 0.5° |
| C19 | C14 | C13 | H4 | 34.9° | 30.0° |
| C19 | C14 | C13 | H5 | 154.8° | 149.9° |
| C19 | C14 | C15 | H6 | 179.9° | 179.8° |
| C14 | C19 | C18 | H8 | 180.0° | 179.8° |
| C15 | C14 | C19 | C18 | 0.0° | 0.5° |
| C14 | C15 | C16 | H6 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.0° |
| C15 | C14 | C13 | H4 | 145.3° | 150.3° |
| C15 | C14 | C13 | H5 | 25.5° | 30.3° |
| C14 | C15 | C16 | H7 | 179.8° | 180.0° |
| C15 | C14 | C19 | H9 | 179.9° | 179.7° |
| C4 | C5 | C10 | C6 | 179.1° | 179.9° |
| C4 | C5 | C10 | C9 | 179.2° | 180.0° |
| C4 | C5 | C6 | CL1 | 0.5° | 0.1° |
| C4 | C5 | C6 | C7 | 179.5° | 179.9° |
| C4 | C5 | C10 | H2 | 0.7° | 0.2° |
| C5 | C4 | C3 | H22 | 42.7° | 55.0° |
| C5 | C4 | H29 | H30 | 120.0° | 119.9° |
| C19 | C18 | C17 | H8 | 180.0° | 179.8° |
| C19 | C18 | C17 | C16 | 0.1° | 0.2° |
| C19 | C18 | C17 | F1 | 179.9° | 179.8° |
| C5 | C10 | C9 | H2 | 180.0° | 179.8° |
| C5 | C10 | C9 | C8 | 0.0° | 0.0° |
| C10 | C5 | C6 | CL1 | 179.6° | 180.0° |
| C10 | C5 | C6 | C7 | 0.3° | 0.0° |
| C10 | C5 | C4 | H29 | 150.2° | 20.0° |
| C10 | C5 | C4 | H30 | 30.2° | 140.0° |
| C5 | C10 | C9 | H32 | 180.0° | 180.0° |
| C9 | C10 | C5 | C6 | 0.1° | 0.1° |
| C10 | C9 | C8 | H32 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 0.1° | 0.1° |
| C10 | C9 | C8 | CL2 | 179.5° | 180.0° |
| C5 | C6 | CL1 | C7 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.4° | 0.0° |
| C6 | C5 | C10 | H2 | 179.9° | 179.7° |
| C6 | C5 | C4 | H29 | 30.7° | 160.1° |
| C6 | C5 | C4 | H30 | 150.7° | 40.1° |
| C5 | C6 | C7 | H31 | 179.6° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C15 | C16 | C17 | H7 | 180.0° | 179.9° |
| C15 | C16 | C17 | F1 | 179.8° | 180.0° |
| C9 | C8 | C7 | C6 | 0.3° | 0.1° |
| C9 | C8 | C7 | CL2 | 179.5° | 180.0° |
| C8 | C9 | C10 | H2 | 180.0° | 179.7° |
| C9 | C8 | C7 | H31 | 179.7° | 180.0° |
| CL1 | C6 | C7 | C8 | 179.6° | 180.0° |
| CL1 | C6 | C7 | H31 | 0.4° | 0.1° |
| C6 | C7 | C8 | H31 | 180.0° | 179.9° |
| C6 | C7 | C8 | CL2 | 179.8° | 179.9° |
| C7 | C8 | C9 | H32 | 179.9° | 180.0° |
| CL2 | C8 | C7 | H31 | 0.2° | 0.0° |
| CL2 | C8 | C9 | H32 | 0.5° | 0.0° |
| C18 | C17 | C16 | F1 | 179.9° | 180.0° |
| C18 | C17 | C16 | H7 | 179.8° | 180.0° |
| C17 | C18 | C19 | H9 | 180.0° | 179.7° |
| C17 | C16 | C15 | H6 | 179.8° | 179.9° |
| C16 | C17 | C18 | H8 | 180.0° | 180.0° |
| F1 | C17 | C16 | H7 | 0.2° | 0.0° |
| F1 | C17 | C18 | H8 | 0.1° | 0.0° |
| H1 | C1 | C30 | H23 | 63.6° | 65.0° |
| H1 | C1 | C30 | H24 | 176.9° | 175.1° |
| H1 | C1 | N1 | H33 | 62.1° | 56.1° |
| H1 | C1 | N1 | H34 | 57.9° | 180.0° |
| H2 | C10 | C9 | H32 | 0.0° | 0.3° |
| H3 | C12 | C13 | H4 | 174.9° | 174.9° |
| H3 | C12 | C13 | H5 | 65.3° | 65.1° |
| H3 | C12 | C20 | H10 | 56.6° | 65.0° |
| H3 | C12 | C20 | H11 | 176.3° | 174.9° |
| H3 | C12 | N3 | H37 | 150.1° | 145.0° |
| H6 | C15 | C16 | H7 | 0.2° | 0.0° |
| H8 | C18 | C19 | H9 | 0.0° | 0.0° |
| H12 | C22 | C23 | H14 | 164.1° | 60.0° |
| H12 | C22 | C23 | H15 | 43.6° | 180.0° |
| H12 | C22 | N4 | H38 | 144.4° | 120.0° |
| H13 | C22 | C23 | H14 | 75.6° | 180.0° |
| H13 | C22 | C23 | H15 | 164.0° | 60.0° |
| H13 | C22 | N4 | H38 | 95.3° | 120.0° |
| H14 | C23 | C24 | H16 | 178.7° | 180.0° |
| H14 | C23 | C24 | H17 | 59.0° | 59.9° |
| H15 | C23 | C24 | H16 | 60.9° | 60.0° |
| H15 | C23 | C24 | H17 | 179.5° | 179.9° |
| H18 | C26 | C27 | H19 | 0.0° | 0.1° |
| H19 | C27 | C28 | H20 | 0.2° | 0.0° |
| H22 | C3 | C4 | H29 | 77.2° | 65.0° |
| H22 | C3 | C4 | H30 | 162.7° | 174.9° |
| H22 | C3 | N2 | H36 | 161.0° | 145.1° |
| H25 | C34 | C35 | H26 | 0.0° | 0.0° |
| H26 | C35 | C36 | H27 | 0.2° | 0.0° |
| H27 | C36 | C37 | H28 | 0.3° | 0.0° |
