WF2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C34 | sing | 1.54Å | 1.53Å | |
| C35 | C36 | sing | 1.55Å | 1.53Å | |
| C34 | N6 | sing | 1.47Å | 1.46Å | |
| N5 | C28 | trip | 1.14Å | 1.15Å | |
| C36 | C37 | sing | 1.55Å | 1.53Å | |
| C28 | C27 | sing | 1.43Å | 1.49Å | |
| N6 | C33 | sing | 1.47Å | 1.46Å | |
| N6 | C37 | sing | 1.48Å | 1.46Å | |
| C29 | C27 | doub | 1.40Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C24 | sing | 1.53Å | 1.50Å | |
| C27 | C26 | sing | 1.40Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.50Å | |
| C26 | C25 | sing | 1.51Å | 1.51Å | |
| C26 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.50Å | |
| C25 | C1 | sing | 1.53Å | 1.51Å | |
| C22 | N4 | sing | 1.46Å | 1.46Å | |
| N4 | C21 | sing | 1.35Å | 1.33Å | |
| C21 | C20 | sing | 1.51Å | 1.50Å | |
| C21 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | N1 | sing | 1.47Å | 1.47Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C20 | C12 | sing | 1.53Å | 1.51Å | |
| O3 | C2 | doub | 1.21Å | 1.24Å | |
| C2 | N2 | sing | 1.35Å | 1.34Å | |
| C12 | N3 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| N2 | C3 | sing | 1.46Å | 1.45Å | |
| N3 | C11 | sing | 1.35Å | 1.33Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| O2 | C11 | doub | 1.21Å | 1.24Å | |
| C11 | C3 | sing | 1.51Å | 1.51Å | |
| 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 | 1.50Å | |
| 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 | 1.72Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | CL2 | sing | 1.74Å | 1.73Å | |
| C18 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | F1 | sing | 1.35Å | 1.35Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| N4 | H16 | sing | 0.97Å | 1.00Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.08Å | 1.08Å | |
| C30 | H32 | sing | 1.08Å | 1.08Å | |
| C31 | H33 | sing | 1.08Å | 1.08Å | |
| C32 | H34 | sing | 1.08Å | 1.08Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C35 | H39 | sing | 1.09Å | 1.10Å | |
| C35 | H40 | sing | 1.09Å | 1.10Å | |
| C36 | H41 | sing | 1.09Å | 1.10Å | |
| C36 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C37 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C35 | C36 | 105.6° | 103.0° |
| C35 | C34 | N6 | 104.7° | 107.2° |
| C35 | C34 | H37 | 110.7° | 109.9° |
| C35 | C34 | H38 | 110.6° | 110.0° |
| C34 | C35 | H39 | 110.4° | 110.8° |
| C34 | C35 | H40 | 110.5° | 110.7° |
| C35 | C36 | C37 | 106.2° | 101.6° |
| C36 | C35 | H39 | 110.4° | 110.7° |
| C36 | C35 | H40 | 110.4° | 110.6° |
| C35 | C36 | H41 | 110.3° | 111.0° |
| C35 | C36 | H42 | 110.3° | 111.0° |
| C34 | N6 | C33 | 110.2° | 111.0° |
| C34 | N6 | C37 | 108.9° | 108.6° |
| N6 | C34 | H37 | 110.7° | 109.9° |
| N6 | C34 | H38 | 110.7° | 109.9° |
| N5 | C28 | C27 | 179.2° | 180.0° |
| C36 | C37 | N6 | 104.8° | 104.8° |
| C37 | C36 | H41 | 110.3° | 111.0° |
| C37 | C36 | H42 | 110.3° | 111.0° |
| C36 | C37 | H43 | 110.6° | 110.3° |
| C36 | C37 | H44 | 110.6° | 110.4° |
| C28 | C27 | C29 | 120.1° | 120.1° |
| C28 | C27 | C26 | 118.4° | 120.2° |
| C33 | N6 | C37 | 110.1° | 111.0° |
| N6 | C33 | C24 | 108.9° | 109.5° |
| N6 | C33 | H35 | 109.6° | 109.5° |
| N6 | C33 | H36 | 109.6° | 109.5° |
| N6 | C37 | H43 | 110.6° | 110.4° |
| N6 | C37 | H44 | 110.6° | 110.5° |
| C27 | C29 | C30 | 119.5° | 119.9° |
| C29 | C27 | C26 | 121.5° | 119.7° |
| C27 | C29 | H31 | 120.3° | 120.1° |
| C29 | C30 | C31 | 119.4° | 120.1° |
| C30 | C29 | H31 | 120.3° | 120.1° |
| C29 | C30 | H32 | 120.3° | 120.0° |
| C33 | C24 | C23 | 109.1° | 109.5° |
| C33 | C24 | H27 | 109.5° | 109.5° |
| C33 | C24 | H28 | 109.6° | 109.5° |
| C24 | C33 | H35 | 109.6° | 109.5° |
| C24 | C33 | H36 | 109.6° | 109.5° |
| C27 | C26 | C25 | 120.2° | 120.1° |
| C27 | C26 | C32 | 118.7° | 119.8° |
| C30 | C31 | C32 | 120.6° | 120.3° |
| C31 | C30 | H32 | 120.3° | 119.9° |
| C30 | C31 | H33 | 119.7° | 119.9° |
| C24 | C23 | C22 | 110.6° | 109.5° |
| C24 | C23 | H25 | 109.2° | 109.5° |
| C24 | C23 | H26 | 109.2° | 109.5° |
| C23 | C24 | H27 | 109.6° | 109.5° |
| C23 | C24 | H28 | 109.6° | 109.5° |
| C25 | C26 | C32 | 121.0° | 120.1° |
| C26 | C25 | C1 | 113.8° | 109.4° |
| C26 | C25 | H29 | 108.4° | 109.5° |
| C26 | C25 | H30 | 108.4° | 109.5° |
| C26 | C32 | C31 | 120.3° | 120.2° |
| C26 | C32 | H34 | 119.9° | 119.9° |
| C32 | C31 | H33 | 119.7° | 119.8° |
| C31 | C32 | H34 | 119.9° | 120.0° |
| C23 | C22 | N4 | 108.0° | 109.5° |
| C23 | C22 | H23 | 109.9° | 109.5° |
| C23 | C22 | H24 | 109.9° | 109.5° |
| C22 | C23 | H25 | 109.2° | 109.5° |
| C22 | C23 | H26 | 109.2° | 109.5° |
| C25 | C1 | N1 | 111.4° | 109.5° |
| C25 | C1 | C2 | 108.7° | 109.5° |
| C25 | C1 | H11 | 107.5° | 109.5° |
| C1 | C25 | H29 | 108.4° | 109.4° |
| C1 | C25 | H30 | 108.4° | 109.5° |
| C22 | N4 | C21 | 121.0° | 120.0° |
| C22 | N4 | H16 | 119.5° | 120.0° |
| N4 | C22 | H23 | 109.8° | 109.4° |
| N4 | C22 | H24 | 109.8° | 109.5° |
| N4 | C21 | C20 | 119.5° | 120.0° |
| N4 | C21 | O1 | 120.2° | 120.0° |
| C21 | N4 | H16 | 119.5° | 120.0° |
| C20 | C21 | O1 | 120.3° | 120.0° |
| C21 | C20 | C12 | 109.5° | 109.5° |
| C21 | C20 | H21 | 109.5° | 109.5° |
| C21 | C20 | H22 | 109.5° | 109.5° |
| N1 | C1 | C2 | 113.5° | 109.5° |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.4° | 111.0° |
| N1 | C1 | H11 | 107.9° | 109.4° |
| C1 | C2 | O3 | 121.1° | 120.0° |
| C1 | C2 | N2 | 118.3° | 120.0° |
| C2 | C1 | H11 | 107.6° | 109.5° |
| C20 | C12 | N3 | 111.4° | 109.5° |
| C20 | C12 | C13 | 110.4° | 109.5° |
| C20 | C12 | H15 | 108.6° | 109.5° |
| C12 | C20 | H21 | 109.5° | 109.5° |
| C12 | C20 | H22 | 109.5° | 109.5° |
| O3 | C2 | N2 | 120.5° | 119.9° |
| C2 | N2 | C3 | 120.6° | 120.1° |
| C2 | N2 | H13 | 119.7° | 120.0° |
| N3 | C12 | C13 | 108.7° | 109.5° |
| C12 | N3 | C11 | 121.8° | 120.0° |
| C12 | N3 | H4 | 119.1° | 119.9° |
| N3 | C12 | H15 | 109.1° | 109.4° |
| C12 | C13 | C14 | 109.3° | 109.5° |
| C12 | C13 | H9 | 109.5° | 109.5° |
| C12 | C13 | H10 | 109.5° | 109.5° |
| C13 | C12 | H15 | 108.5° | 109.5° |
| N2 | C3 | C11 | 108.8° | 109.5° |
| N2 | C3 | C4 | 109.9° | 109.4° |
| N2 | C3 | H12 | 110.8° | 109.5° |
| C3 | N2 | H13 | 119.7° | 120.0° |
| N3 | C11 | O2 | 120.1° | 120.0° |
| N3 | C11 | C3 | 120.0° | 120.0° |
| C11 | N3 | H4 | 119.1° | 120.0° |
| C13 | C14 | C19 | 120.5° | 120.0° |
| C13 | C14 | C15 | 119.9° | 119.9° |
| C14 | C13 | H9 | 109.5° | 109.4° |
| C14 | C13 | H10 | 109.5° | 109.5° |
| O2 | C11 | C3 | 119.9° | 120.0° |
| C11 | C3 | C4 | 107.2° | 109.5° |
| C11 | C3 | H12 | 110.0° | 109.5° |
| C3 | C4 | C5 | 110.7° | 109.5° |
| C3 | C4 | H5 | 109.2° | 109.5° |
| C3 | C4 | H6 | 109.2° | 109.5° |
| C4 | C3 | H12 | 110.0° | 109.5° |
| C19 | C14 | C15 | 119.6° | 120.1° |
| C14 | C19 | C18 | 120.6° | 120.0° |
| C14 | C19 | H20 | 119.7° | 120.0° |
| C14 | C15 | C16 | 119.9° | 120.0° |
| C14 | C15 | H17 | 120.1° | 120.0° |
| C4 | C5 | C10 | 119.7° | 120.0° |
| C4 | C5 | C6 | 120.7° | 120.0° |
| C5 | C4 | H5 | 109.2° | 109.4° |
| C5 | C4 | H6 | 109.1° | 109.5° |
| C19 | C18 | C17 | 119.6° | 120.0° |
| C19 | C18 | H19 | 120.2° | 120.0° |
| C18 | C19 | H20 | 119.7° | 120.0° |
| C15 | C16 | C17 | 120.3° | 120.0° |
| C16 | C15 | H17 | 120.1° | 120.0° |
| C15 | C16 | H18 | 119.9° | 120.0° |
| C10 | C5 | C6 | 119.7° | 120.0° |
| C5 | C10 | C9 | 119.9° | 120.0° |
| C5 | C10 | H8 | 120.1° | 120.0° |
| C5 | C6 | CL1 | 120.8° | 120.0° |
| C5 | C6 | C7 | 120.5° | 120.0° |
| C10 | C9 | C8 | 120.2° | 120.0° |
| C9 | C10 | H8 | 120.1° | 120.0° |
| C10 | C9 | H14 | 119.9° | 120.0° |
| CL1 | C6 | C7 | 118.6° | 120.0° |
| C6 | C7 | C8 | 119.6° | 120.0° |
| C6 | C7 | H7 | 120.2° | 120.0° |
| C9 | C8 | C7 | 120.1° | 120.0° |
| C9 | C8 | CL2 | 120.4° | 120.0° |
| C8 | C9 | H14 | 119.9° | 120.0° |
| C7 | C8 | CL2 | 119.5° | 120.0° |
| C8 | C7 | H7 | 120.2° | 120.0° |
| C18 | C17 | C16 | 120.0° | 120.0° |
| C18 | C17 | F1 | 119.9° | 120.0° |
| C17 | C18 | H19 | 120.2° | 120.0° |
| C16 | C17 | F1 | 120.0° | 120.0° |
| C17 | C16 | H18 | 119.8° | 120.0° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| H5 | C4 | H6 | 109.4° | 109.5° |
| H9 | C13 | H10 | 109.4° | 109.5° |
| H21 | C20 | H22 | 109.5° | 109.5° |
| H23 | C22 | H24 | 109.4° | 109.4° |
| H25 | C23 | H26 | 109.4° | 109.4° |
| H27 | C24 | H28 | 109.5° | 109.5° |
| H29 | C25 | H30 | 109.5° | 109.5° |
| H35 | C33 | H36 | 109.5° | 109.4° |
| H37 | C34 | H38 | 109.5° | 109.9° |
| H39 | C35 | H40 | 109.5° | 110.8° |
| H41 | C36 | H42 | 109.5° | 110.9° |
| H43 | C37 | H44 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C35 | C36 | H39 | 119.4° | 118.4° |
| C34 | C35 | C36 | H40 | 119.4° | 118.3° |
| C35 | C34 | N6 | H37 | 119.3° | 119.4° |
| C35 | C34 | N6 | H38 | 119.2° | 119.5° |
| C34 | C35 | C36 | C37 | 2.5° | 35.7° |
| C35 | C34 | N6 | C33 | 152.8° | 123.2° |
| C35 | C34 | N6 | C37 | 31.9° | 0.9° |
| C35 | C34 | H37 | H38 | 122.2° | 121.2° |
| C34 | C35 | H39 | H40 | 121.8° | 123.2° |
| C34 | C35 | C36 | H41 | 116.9° | 153.8° |
| C34 | C35 | C36 | H42 | 122.1° | 82.4° |
| C36 | C35 | C34 | N6 | 20.2° | 22.3° |
| C35 | C36 | C37 | H41 | 119.5° | 118.1° |
| C35 | C36 | C37 | H42 | 119.5° | 118.1° |
| C35 | C36 | C37 | N6 | 16.1° | 37.1° |
| C36 | C35 | C34 | H37 | 139.5° | 97.1° |
| C36 | C35 | C34 | H38 | 99.0° | 141.8° |
| C36 | C35 | H39 | H40 | 121.8° | 123.2° |
| C35 | C36 | H41 | H42 | 121.5° | 123.9° |
| C35 | C36 | C37 | H43 | 103.2° | 81.7° |
| C35 | C36 | C37 | H44 | 135.3° | 156.0° |
| C34 | N6 | C37 | C36 | 30.2° | 24.1° |
| C34 | N6 | C33 | C37 | 120.2° | 120.9° |
| C34 | N6 | C33 | C24 | 96.1° | 170.0° |
| C34 | N6 | C33 | H35 | 23.8° | 70.0° |
| C34 | N6 | C33 | H36 | 144.0° | 50.0° |
| N6 | C34 | H37 | H38 | 122.2° | 121.0° |
| N6 | C34 | C35 | H39 | 139.6° | 96.1° |
| N6 | C34 | C35 | H40 | 99.2° | 140.6° |
| C34 | N6 | C37 | H43 | 89.1° | 94.7° |
| C34 | N6 | C37 | H44 | 149.4° | 143.0° |
| N5 | C28 | C27 | C29 | 158.5° | 175.3° |
| N5 | C28 | C27 | C26 | 20.7° | 4.7° |
| C36 | C37 | N6 | C33 | 151.2° | 146.4° |
| C36 | C37 | N6 | H43 | 119.3° | 118.8° |
| C36 | C37 | N6 | H44 | 119.2° | 118.9° |
| C37 | C36 | C35 | H39 | 121.9° | 82.7° |
| C37 | C36 | C35 | H40 | 116.9° | 154.0° |
| C37 | C36 | H41 | H42 | 121.5° | 123.9° |
| C36 | C37 | H43 | H44 | 122.2° | 122.3° |
| C28 | C27 | C29 | C26 | 179.2° | 180.0° |
| C28 | C27 | C29 | C30 | 179.5° | 180.0° |
| C28 | C27 | C26 | C25 | 1.4° | 0.1° |
| C28 | C27 | C26 | C32 | 179.8° | 179.7° |
| C28 | C27 | C29 | H31 | 0.5° | 0.0° |
| N6 | C33 | C24 | H35 | 119.9° | 120.1° |
| N6 | C33 | C24 | H36 | 119.9° | 120.0° |
| N6 | C33 | C24 | C23 | 147.5° | 180.0° |
| N6 | C33 | C24 | H27 | 27.6° | 60.0° |
| N6 | C33 | C24 | H28 | 92.5° | 60.0° |
| N6 | C33 | H35 | H36 | 120.3° | 120.0° |
| C33 | N6 | C34 | H37 | 87.9° | 117.3° |
| C33 | N6 | C34 | H38 | 33.6° | 3.7° |
| C33 | N6 | C37 | H43 | 32.0° | 27.6° |
| C33 | N6 | C37 | H44 | 89.5° | 94.7° |
| C37 | N6 | C33 | C24 | 143.7° | 69.1° |
| C37 | N6 | C33 | H35 | 96.4° | 50.9° |
| C37 | N6 | C33 | H36 | 23.8° | 170.9° |
| C37 | N6 | C34 | H37 | 151.1° | 120.4° |
| C37 | N6 | C34 | H38 | 87.3° | 118.6° |
| N6 | C37 | C36 | H41 | 135.6° | 155.1° |
| N6 | C37 | C36 | H42 | 103.4° | 81.0° |
| N6 | C37 | H43 | H44 | 122.2° | 122.4° |
| C27 | C29 | C30 | H31 | 180.0° | 180.0° |
| C27 | C29 | C30 | C31 | 0.3° | 0.0° |
| C29 | C27 | C26 | C25 | 179.4° | 180.0° |
| C29 | C27 | C26 | C32 | 1.0° | 0.3° |
| C27 | C29 | C30 | H32 | 179.6° | 180.0° |
| C30 | C29 | C27 | C26 | 0.3° | 0.0° |
| C29 | C30 | C31 | H32 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.2° | 0.3° |
| C29 | C30 | C31 | H33 | 179.8° | 180.0° |
| C33 | C24 | C23 | H27 | 119.9° | 120.0° |
| C33 | C24 | C23 | H28 | 120.0° | 120.0° |
| C33 | C24 | C23 | C22 | 176.3° | 180.0° |
| C33 | C24 | C23 | H25 | 56.1° | 59.9° |
| C33 | C24 | C23 | H26 | 63.5° | 60.0° |
| C33 | C24 | H27 | H28 | 120.2° | 120.0° |
| C24 | C33 | H35 | H36 | 120.3° | 120.0° |
| C27 | C26 | C25 | C32 | 178.4° | 179.6° |
| C27 | C26 | C32 | C31 | 1.0° | 0.6° |
| C27 | C26 | C25 | C1 | 136.2° | 85.3° |
| C27 | C26 | C25 | H29 | 103.2° | 34.7° |
| C27 | C26 | C25 | H30 | 15.5° | 154.7° |
| C26 | C27 | C29 | H31 | 179.7° | 180.0° |
| C27 | C26 | C32 | H34 | 178.9° | 179.7° |
| C30 | C31 | C32 | C26 | 0.5° | 0.6° |
| C30 | C31 | C32 | H33 | 180.0° | 179.7° |
| C31 | C30 | C29 | H31 | 179.7° | 180.0° |
| C30 | C31 | C32 | H34 | 179.5° | 179.7° |
| C24 | C23 | C22 | H25 | 120.2° | 120.1° |
| C24 | C23 | C22 | H26 | 120.2° | 120.0° |
| C24 | C23 | C22 | N4 | 155.5° | 180.0° |
| C24 | C23 | C22 | H23 | 84.8° | 60.0° |
| C24 | C23 | C22 | H24 | 35.7° | 60.0° |
| C24 | C23 | H25 | H26 | 119.4° | 120.0° |
| C23 | C24 | H27 | H28 | 120.2° | 120.0° |
| C23 | C24 | C33 | H35 | 92.6° | 59.9° |
| C23 | C24 | C33 | H36 | 27.6° | 60.0° |
| C25 | C26 | C32 | C31 | 179.5° | 179.7° |
| C26 | C25 | C1 | H29 | 120.6° | 120.0° |
| C26 | C25 | C1 | H30 | 120.7° | 120.0° |
| C26 | C25 | C1 | N1 | 176.6° | 65.0° |
| C26 | C25 | C1 | C2 | 57.6° | 175.0° |
| C26 | C25 | C1 | H11 | 58.5° | 55.0° |
| C26 | C25 | H29 | H30 | 118.1° | 120.0° |
| C25 | C26 | C32 | H34 | 0.5° | 0.1° |
| C26 | C32 | C31 | H34 | 180.0° | 179.6° |
| C32 | C26 | C25 | C1 | 45.4° | 95.1° |
| C32 | C26 | C25 | H29 | 75.2° | 145.0° |
| C32 | C26 | C25 | H30 | 166.1° | 24.9° |
| C26 | C32 | C31 | H33 | 179.5° | 179.7° |
| C32 | C31 | C30 | H32 | 179.7° | 179.6° |
| C23 | C22 | N4 | H23 | 119.8° | 120.0° |
| C23 | C22 | N4 | H24 | 119.8° | 120.0° |
| C23 | C22 | N4 | C21 | 148.5° | 180.0° |
| C23 | C22 | N4 | H16 | 31.5° | 0.1° |
| C23 | C22 | H23 | H24 | 120.7° | 120.0° |
| C22 | C23 | H25 | H26 | 119.5° | 120.0° |
| C22 | C23 | C24 | H27 | 63.8° | 60.0° |
| C22 | C23 | C24 | H28 | 56.3° | 60.0° |
| C25 | C1 | N1 | C2 | 123.1° | 120.0° |
| C25 | C1 | N1 | H11 | 117.8° | 120.0° |
| C25 | C1 | C2 | H11 | 116.1° | 120.0° |
| C25 | C1 | C2 | O3 | 44.6° | 100.0° |
| C25 | C1 | C2 | N2 | 134.3° | 80.0° |
| C25 | C1 | N1 | H1 | 180.0° | 63.9° |
| C25 | C1 | N1 | H2 | 60.0° | 60.0° |
| C1 | C25 | H29 | H30 | 118.1° | 120.0° |
| C22 | N4 | C21 | H16 | 180.0° | 179.9° |
| C22 | N4 | C21 | C20 | 179.9° | 180.0° |
| C22 | N4 | C21 | O1 | 0.4° | 0.0° |
| N4 | C22 | H23 | H24 | 120.7° | 120.0° |
| N4 | C22 | C23 | H25 | 35.3° | 60.0° |
| N4 | C22 | C23 | H26 | 84.3° | 60.0° |
| N4 | C21 | C20 | O1 | 179.7° | 180.0° |
| N4 | C21 | C20 | C12 | 126.6° | 180.0° |
| N4 | C21 | C20 | H21 | 113.4° | 60.0° |
| N4 | C21 | C20 | H22 | 6.6° | 60.0° |
| C21 | N4 | C22 | H23 | 28.7° | 60.1° |
| C21 | N4 | C22 | H24 | 91.7° | 59.9° |
| C21 | C20 | C12 | H21 | 120.0° | 120.0° |
| C21 | C20 | C12 | H22 | 120.0° | 120.0° |
| C21 | C20 | C12 | N3 | 173.4° | 65.0° |
| C21 | C20 | C12 | C13 | 52.5° | 175.0° |
| C21 | C20 | C12 | H15 | 66.4° | 55.0° |
| C20 | C21 | N4 | H16 | 0.1° | 0.1° |
| C21 | C20 | H21 | H22 | 120.0° | 120.0° |
| O1 | C21 | C20 | C12 | 53.7° | 0.0° |
| O1 | C21 | N4 | H16 | 179.7° | 179.9° |
| O1 | C21 | C20 | H21 | 66.3° | 120.0° |
| O1 | C21 | C20 | H22 | 173.7° | 120.0° |
| N1 | C1 | C2 | H11 | 119.3° | 120.0° |
| N1 | C1 | C2 | O3 | 79.9° | 20.0° |
| N1 | C1 | C2 | N2 | 101.1° | 160.0° |
| C1 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C1 | C25 | H29 | 55.9° | 175.0° |
| N1 | C1 | C25 | H30 | 62.8° | 55.0° |
| C1 | C2 | O3 | N2 | 178.9° | 180.0° |
| C1 | C2 | N2 | C3 | 178.4° | 180.0° |
| C2 | C1 | N1 | H1 | 56.9° | 176.1° |
| C2 | C1 | N1 | H2 | 176.9° | 60.0° |
| C1 | C2 | N2 | H13 | 1.5° | 0.0° |
| C2 | C1 | C25 | H29 | 178.2° | 55.0° |
| C2 | C1 | C25 | H30 | 63.0° | 65.0° |
| C20 | C12 | N3 | C13 | 121.9° | 120.0° |
| C20 | C12 | N3 | H15 | 119.9° | 120.0° |
| C20 | C12 | C13 | H15 | 118.9° | 120.0° |
| C20 | C12 | N3 | C11 | 91.2° | 155.0° |
| C20 | C12 | C13 | C14 | 172.2° | 175.0° |
| C20 | C12 | N3 | H4 | 88.8° | 25.0° |
| C20 | C12 | C13 | H9 | 67.8° | 65.0° |
| C20 | C12 | C13 | H10 | 52.2° | 55.0° |
| C12 | C20 | H21 | H22 | 120.0° | 120.0° |
| O3 | C2 | N2 | C3 | 0.5° | 0.0° |
| O3 | C2 | C1 | H11 | 160.7° | 140.0° |
| O3 | C2 | N2 | H13 | 179.5° | 180.0° |
| C2 | N2 | C3 | H13 | 180.0° | 179.9° |
| C2 | N2 | C3 | C11 | 101.8° | 155.0° |
| C2 | N2 | C3 | C4 | 141.2° | 85.0° |
| N2 | C2 | C1 | H11 | 18.2° | 40.0° |
| C2 | N2 | C3 | H12 | 19.3° | 34.9° |
| N3 | C12 | C13 | H15 | 118.6° | 119.9° |
| C12 | N3 | C11 | H4 | 180.0° | 180.0° |
| N3 | C12 | C13 | C14 | 65.3° | 64.9° |
| C12 | N3 | C11 | O2 | 1.1° | 0.0° |
| C12 | N3 | C11 | C3 | 178.2° | 180.0° |
| N3 | C12 | C13 | H9 | 54.7° | 55.0° |
| N3 | C12 | C13 | H10 | 174.7° | 175.0° |
| N3 | C12 | C20 | H21 | 66.6° | 175.0° |
| N3 | C12 | C20 | H22 | 53.4° | 55.0° |
| C13 | C12 | N3 | C11 | 146.9° | 85.0° |
| C12 | C13 | C14 | H9 | 120.0° | 120.0° |
| C12 | C13 | C14 | H10 | 120.0° | 120.0° |
| C12 | C13 | C14 | C19 | 90.0° | 90.0° |
| C12 | C13 | C14 | C15 | 89.9° | 89.8° |
| C13 | C12 | N3 | H4 | 33.1° | 95.0° |
| C12 | C13 | H9 | H10 | 120.1° | 120.0° |
| C13 | C12 | C20 | H21 | 172.4° | 55.0° |
| C13 | C12 | C20 | H22 | 67.5° | 65.0° |
| N2 | C3 | C11 | N3 | 131.9° | 180.0° |
| N2 | C3 | C11 | O2 | 48.8° | 0.0° |
| N2 | C3 | C11 | C4 | 118.8° | 120.0° |
| N2 | C3 | C11 | H12 | 121.6° | 120.0° |
| N2 | C3 | C4 | H12 | 122.3° | 120.0° |
| N2 | C3 | C4 | C5 | 78.8° | 64.9° |
| N2 | C3 | C4 | H5 | 161.0° | 55.0° |
| N2 | C3 | C4 | H6 | 41.4° | 175.0° |
| N3 | C11 | O2 | C3 | 179.3° | 180.0° |
| N3 | C11 | C3 | C4 | 109.3° | 60.0° |
| N3 | C11 | C3 | H12 | 10.3° | 60.0° |
| C11 | N3 | C12 | H15 | 28.7° | 35.0° |
| C13 | C14 | C19 | C15 | 179.9° | 179.8° |
| C13 | C14 | C19 | C18 | 179.8° | 179.8° |
| C13 | C14 | C15 | C16 | 180.0° | 179.9° |
| C14 | C13 | H9 | H10 | 120.1° | 120.0° |
| C14 | C13 | C12 | H15 | 53.3° | 55.0° |
| C13 | C14 | C15 | H17 | 0.0° | 0.0° |
| C13 | C14 | C19 | H20 | 0.2° | 0.0° |
| O2 | C11 | C3 | C4 | 70.0° | 120.0° |
| O2 | C11 | N3 | H4 | 178.9° | 180.0° |
| O2 | C11 | C3 | H12 | 170.4° | 120.0° |
| C11 | C3 | C4 | H12 | 119.6° | 120.0° |
| C11 | C3 | C4 | C5 | 163.1° | 175.0° |
| C3 | C11 | N3 | H4 | 1.8° | 0.0° |
| C11 | C3 | C4 | H5 | 42.9° | 65.0° |
| C11 | C3 | C4 | H6 | 76.7° | 55.0° |
| C11 | C3 | N2 | H13 | 78.2° | 25.0° |
| C3 | C4 | C5 | H5 | 120.2° | 120.0° |
| C3 | C4 | C5 | H6 | 120.2° | 120.1° |
| C3 | C4 | C5 | C10 | 92.6° | 100.0° |
| C3 | C4 | C5 | C6 | 87.6° | 79.7° |
| C3 | C4 | H5 | H6 | 119.4° | 120.0° |
| C4 | C3 | N2 | H13 | 38.9° | 95.0° |
| C14 | C19 | C18 | H20 | 180.0° | 179.8° |
| C19 | C14 | C15 | C16 | 0.1° | 0.2° |
| C14 | C19 | C18 | C17 | 0.2° | 0.5° |
| C19 | C14 | C13 | H9 | 30.0° | 30.0° |
| C19 | C14 | C13 | H10 | 150.0° | 150.0° |
| C19 | C14 | C15 | H17 | 179.9° | 179.7° |
| C14 | C19 | C18 | H19 | 179.8° | 179.7° |
| C15 | C14 | C19 | C18 | 0.1° | 0.5° |
| C14 | C15 | C16 | H17 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.2° | 0.1° |
| C15 | C14 | C13 | H9 | 150.1° | 150.2° |
| C15 | C14 | C13 | H10 | 30.1° | 30.3° |
| C14 | C15 | C16 | H18 | 179.7° | 180.0° |
| C15 | C14 | C19 | H20 | 179.9° | 179.7° |
| C4 | C5 | C10 | C6 | 179.9° | 179.7° |
| C4 | C5 | C10 | C9 | 179.9° | 179.8° |
| C4 | C5 | C6 | CL1 | 0.1° | 0.1° |
| C4 | C5 | C6 | C7 | 179.7° | 180.0° |
| C5 | C4 | H5 | H6 | 119.4° | 120.0° |
| C4 | C5 | C10 | H8 | 0.1° | 0.0° |
| C5 | C4 | C3 | H12 | 43.5° | 55.0° |
| C19 | C18 | C17 | H19 | 180.0° | 179.8° |
| C19 | C18 | C17 | C16 | 0.0° | 0.2° |
| C19 | C18 | C17 | F1 | 179.9° | 179.8° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C15 | C16 | C17 | H18 | 180.0° | 179.9° |
| C15 | C16 | C17 | F1 | 179.9° | 179.9° |
| C5 | C10 | C9 | H8 | 180.0° | 179.7° |
| C10 | C5 | C6 | CL1 | 179.9° | 179.7° |
| C10 | C5 | C6 | C7 | 0.1° | 0.3° |
| C5 | C10 | C9 | C8 | 0.0° | 0.5° |
| C10 | C5 | C4 | H5 | 147.2° | 140.1° |
| C10 | C5 | C4 | H6 | 27.6° | 20.1° |
| C5 | C10 | C9 | H14 | 180.0° | 180.0° |
| C6 | C5 | C10 | C9 | 0.0° | 0.6° |
| C5 | C6 | CL1 | C7 | 179.8° | 180.0° |
| C5 | C6 | C7 | C8 | 0.3° | 0.0° |
| C6 | C5 | C4 | H5 | 32.6° | 40.3° |
| C6 | C5 | C4 | H6 | 152.2° | 160.2° |
| C5 | C6 | C7 | H7 | 179.7° | 180.0° |
| C6 | C5 | C10 | H8 | 180.0° | 179.7° |
| C10 | C9 | C8 | H14 | 180.0° | 179.5° |
| C10 | C9 | C8 | C7 | 0.2° | 0.2° |
| C10 | C9 | C8 | CL2 | 179.8° | 179.7° |
| CL1 | C6 | C7 | C8 | 179.9° | 180.0° |
| CL1 | C6 | C7 | H7 | 0.1° | 0.0° |
| C6 | C7 | C8 | C9 | 0.4° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | CL2 | 180.0° | 180.0° |
| C9 | C8 | C7 | CL2 | 179.6° | 180.0° |
| C9 | C8 | C7 | H7 | 179.6° | 180.0° |
| C8 | C9 | C10 | H8 | 179.9° | 179.7° |
| C7 | C8 | C9 | H14 | 179.8° | 179.7° |
| CL2 | C8 | C7 | H7 | 0.0° | 0.0° |
| CL2 | C8 | C9 | H14 | 0.2° | 0.2° |
| C18 | C17 | C16 | F1 | 179.9° | 180.0° |
| C18 | C17 | C16 | H18 | 179.8° | 179.9° |
| C17 | C18 | C19 | H20 | 179.9° | 179.7° |
| C17 | C16 | C15 | H17 | 179.8° | 180.0° |
| C16 | C17 | C18 | H19 | 180.0° | 180.0° |
| F1 | C17 | C16 | H18 | 0.1° | 0.1° |
| F1 | C17 | C18 | H19 | 0.1° | 0.0° |
| H1 | N1 | C1 | H11 | 62.2° | 56.1° |
| H2 | N1 | C1 | H11 | 57.8° | 180.0° |
| H4 | N3 | C12 | H15 | 151.3° | 145.0° |
| H5 | C4 | C3 | H12 | 76.7° | 175.0° |
| H6 | C4 | C3 | H12 | 163.7° | 65.0° |
| H8 | C10 | C9 | H14 | 0.0° | 0.3° |
| H9 | C13 | C12 | H15 | 173.2° | 175.0° |
| H10 | C13 | C12 | H15 | 66.7° | 65.0° |
| H11 | C1 | C25 | H29 | 62.1° | 65.0° |
| H11 | C1 | C25 | H30 | 179.2° | 175.0° |
| H12 | C3 | N2 | H13 | 160.7° | 145.0° |
| H15 | C12 | C20 | H21 | 53.6° | 65.0° |
| H15 | C12 | C20 | H22 | 173.6° | 175.0° |
| H16 | N4 | C22 | H23 | 151.3° | 120.1° |
| H16 | N4 | C22 | H24 | 88.3° | 120.0° |
| H17 | C15 | C16 | H18 | 0.3° | 0.1° |
| H19 | C18 | C19 | H20 | 0.2° | 0.1° |
| H23 | C22 | C23 | H25 | 155.1° | 179.9° |
| H23 | C22 | C23 | H26 | 35.4° | 60.0° |
| H24 | C22 | C23 | H25 | 84.5° | 60.1° |
| H24 | C22 | C23 | H26 | 155.9° | 179.9° |
| H25 | C23 | C24 | H27 | 176.0° | 180.0° |
| H25 | C23 | C24 | H28 | 63.9° | 60.0° |
| H26 | C23 | C24 | H27 | 56.4° | 60.0° |
| H26 | C23 | C24 | H28 | 176.5° | 180.0° |
| H27 | C24 | C33 | H35 | 147.5° | 179.9° |
| H27 | C24 | C33 | H36 | 92.3° | 60.0° |
| H28 | C24 | C33 | H35 | 27.4° | 60.1° |
| H28 | C24 | C33 | H36 | 147.6° | 180.0° |
| H31 | C29 | C30 | H32 | 0.3° | 0.1° |
| H32 | C30 | C31 | H33 | 0.3° | 0.0° |
| H33 | C31 | C32 | H34 | 0.5° | 0.1° |
| H37 | C34 | C35 | H39 | 101.2° | 144.5° |
| H37 | C34 | C35 | H40 | 20.1° | 21.2° |
| H38 | C34 | C35 | H39 | 20.4° | 23.4° |
| H38 | C34 | C35 | H40 | 141.6° | 99.9° |
| H39 | C35 | C36 | H41 | 2.4° | 35.3° |
| H39 | C35 | C36 | H42 | 118.6° | 159.2° |
| H40 | C35 | C36 | H41 | 123.7° | 87.9° |
| H40 | C35 | C36 | H42 | 2.6° | 35.9° |
| H41 | C36 | C37 | H43 | 16.3° | 36.3° |
| H41 | C36 | C37 | H44 | 105.2° | 85.9° |
| H42 | C36 | C37 | H43 | 137.3° | 160.2° |
| H42 | C36 | C37 | H44 | 15.9° | 37.9° |
