4EB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | H4 | sing | 1.09Å | 1.09Å | |
| C1 | H5 | sing | 1.09Å | 1.09Å | |
| C1 | H6 | sing | 1.09Å | 1.09Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C40 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | S6 | sing | 1.76Å | 1.77Å | |
| C5 | C38 | sing | 1.39Å | 1.40Å | Aromatic |
| S6 | C7 | sing | 1.81Å | 1.82Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.09Å | |
| C8 | N9 | sing | 1.46Å | 1.47Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.09Å | |
| N9 | C10 | sing | 1.40Å | 1.42Å | |
| N9 | H14 | sing | 0.97Å | 1.01Å | |
| C10 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | S19 | sing | 1.76Å | 1.84Å | |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C15 | N16 | sing | 1.48Å | 1.47Å | |
| N16 | O17 | sing | 1.22Å | 1.22Å | |
| N16 | O18 | doub | 1.22Å | 1.22Å | |
| S19 | O20 | doub | 1.42Å | 1.43Å | |
| S19 | O21 | doub | 1.42Å | 1.43Å | |
| S19 | N22 | sing | 1.66Å | 1.75Å | |
| N22 | C23 | sing | 1.35Å | 1.33Å | |
| N22 | H18 | sing | 0.97Å | 1.01Å | |
| C23 | O24 | doub | 1.22Å | 1.23Å | |
| C23 | C25 | sing | 1.48Å | 1.48Å | |
| C25 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C30 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | doub | 1.40Å | 1.40Å | Aromatic |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | sing | 1.40Å | 1.40Å | Aromatic |
| C28 | C31 | sing | 1.48Å | 1.48Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å | |
| C31 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | C37 | sing | 1.39Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | H26 | sing | 1.08Å | 1.08Å | |
| C33 | C34 | doub | 1.39Å | 1.40Å | Aromatic |
| C33 | H25 | sing | 1.08Å | 1.08Å | |
| C34 | F35 | sing | 1.35Å | 1.35Å | |
| C34 | C36 | sing | 1.39Å | 1.40Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | H24 | sing | 1.08Å | 1.08Å | |
| C37 | H23 | sing | 1.08Å | 1.08Å | |
| C38 | C39 | sing | 1.51Å | 1.51Å | |
| C38 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C39 | H7 | sing | 1.09Å | 1.09Å | |
| C39 | H8 | sing | 1.09Å | 1.09Å | |
| C39 | H9 | sing | 1.09Å | 1.09Å | |
| C40 | H3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H4 | 109.6° | 109.5° |
| C2 | C1 | H5 | 108.9° | 109.5° |
| C2 | C1 | H6 | 109.8° | 109.5° |
| C1 | C2 | C3 | 120.0° | 119.9° |
| C1 | C2 | C40 | 120.0° | 120.0° |
| H4 | C1 | H5 | 108.9° | 109.4° |
| H4 | C1 | H6 | 109.8° | 109.5° |
| H5 | C1 | H6 | 109.8° | 109.5° |
| C3 | C2 | C40 | 120.0° | 120.1° |
| C2 | C3 | C4 | 120.0° | 120.1° |
| C2 | C3 | H1 | 120.0° | 119.9° |
| C2 | C40 | C38 | 120.0° | 120.1° |
| C2 | C40 | H3 | 120.0° | 119.9° |
| C4 | C3 | H1 | 120.0° | 120.0° |
| C3 | C4 | C5 | 120.0° | 119.9° |
| C3 | C4 | H2 | 119.9° | 120.0° |
| C5 | C4 | H2 | 120.0° | 120.1° |
| C4 | C5 | S6 | 120.0° | 120.1° |
| C4 | C5 | C38 | 120.0° | 119.8° |
| S6 | C5 | C38 | 120.0° | 120.1° |
| C5 | S6 | C7 | 109.4° | 100.0° |
| C5 | C38 | C39 | 120.0° | 120.0° |
| C5 | C38 | C40 | 120.0° | 119.9° |
| S6 | C7 | C8 | 110.1° | 109.5° |
| S6 | C7 | H10 | 107.6° | 109.5° |
| S6 | C7 | H11 | 110.5° | 109.5° |
| C8 | C7 | H10 | 107.6° | 109.5° |
| C8 | C7 | H11 | 110.5° | 109.4° |
| C7 | C8 | N9 | 109.9° | 109.5° |
| C7 | C8 | H12 | 108.1° | 109.5° |
| C7 | C8 | H13 | 110.3° | 109.4° |
| H10 | C7 | H11 | 110.5° | 109.4° |
| N9 | C8 | H12 | 108.0° | 109.5° |
| N9 | C8 | H13 | 110.2° | 109.5° |
| C8 | N9 | C10 | 119.8° | 120.0° |
| C8 | N9 | H14 | 119.8° | 120.0° |
| H12 | C8 | H13 | 110.3° | 109.4° |
| C10 | N9 | H14 | 120.3° | 120.0° |
| N9 | C10 | C11 | 119.5° | 120.1° |
| N9 | C10 | C15 | 120.8° | 120.1° |
| C11 | C10 | C15 | 119.7° | 119.8° |
| C10 | C11 | C12 | 120.2° | 120.0° |
| C10 | C11 | H16 | 119.9° | 120.0° |
| C10 | C15 | C14 | 119.9° | 119.9° |
| C10 | C15 | N16 | 120.8° | 120.0° |
| C12 | C11 | H16 | 119.9° | 120.0° |
| C11 | C12 | C13 | 120.0° | 120.1° |
| C11 | C12 | H15 | 120.0° | 120.0° |
| C13 | C12 | H15 | 120.0° | 120.0° |
| C12 | C13 | C14 | 120.0° | 120.2° |
| C12 | C13 | S19 | 120.0° | 119.9° |
| C14 | C13 | S19 | 120.0° | 119.9° |
| C13 | C14 | C15 | 120.1° | 120.1° |
| C13 | C14 | H17 | 119.9° | 120.0° |
| C13 | S19 | O20 | 109.6° | 105.8° |
| C13 | S19 | O21 | 109.1° | 105.7° |
| C13 | S19 | N22 | 109.8° | 107.4° |
| C15 | C14 | H17 | 120.0° | 120.0° |
| C14 | C15 | N16 | 119.4° | 120.0° |
| C15 | N16 | O17 | 120.5° | 120.0° |
| C15 | N16 | O18 | 119.8° | 120.0° |
| O17 | N16 | O18 | 119.7° | 120.0° |
| O20 | S19 | O21 | 109.0° | 125.4° |
| O20 | S19 | N22 | 109.7° | 105.8° |
| O21 | S19 | N22 | 109.7° | 105.8° |
| S19 | N22 | C23 | 120.0° | 120.0° |
| S19 | N22 | H18 | 120.0° | 120.0° |
| C23 | N22 | H18 | 120.0° | 120.0° |
| N22 | C23 | O24 | 120.0° | 120.0° |
| N22 | C23 | C25 | 120.0° | 120.0° |
| O24 | C23 | C25 | 120.0° | 120.0° |
| C23 | C25 | C26 | 120.0° | 120.0° |
| C23 | C25 | C30 | 120.0° | 120.0° |
| C26 | C25 | C30 | 120.0° | 120.0° |
| C25 | C26 | C27 | 120.0° | 119.9° |
| C25 | C26 | H22 | 120.0° | 120.0° |
| C25 | C30 | C29 | 120.0° | 120.0° |
| C25 | C30 | H19 | 120.0° | 120.0° |
| C27 | C26 | H22 | 119.9° | 120.0° |
| C26 | C27 | C28 | 120.0° | 120.0° |
| C26 | C27 | H21 | 120.0° | 120.0° |
| C28 | C27 | H21 | 120.0° | 120.0° |
| C27 | C28 | C29 | 120.0° | 120.0° |
| C27 | C28 | C31 | 120.0° | 120.0° |
| C29 | C28 | C31 | 120.0° | 120.0° |
| C28 | C29 | C30 | 120.0° | 120.0° |
| C28 | C29 | H20 | 120.0° | 120.0° |
| C28 | C31 | C32 | 120.1° | 120.1° |
| C28 | C31 | C37 | 119.9° | 120.1° |
| C30 | C29 | H20 | 119.9° | 120.0° |
| C29 | C30 | H19 | 120.0° | 120.0° |
| C32 | C31 | C37 | 120.0° | 119.8° |
| C31 | C32 | C33 | 120.0° | 119.9° |
| C31 | C32 | H26 | 120.0° | 120.1° |
| C31 | C37 | C36 | 120.0° | 119.9° |
| C31 | C37 | H23 | 120.1° | 120.1° |
| C33 | C32 | H26 | 120.0° | 120.0° |
| C32 | C33 | C34 | 120.1° | 120.1° |
| C32 | C33 | H25 | 120.0° | 120.0° |
| C34 | C33 | H25 | 120.0° | 120.0° |
| C33 | C34 | F35 | 120.0° | 119.9° |
| C33 | C34 | C36 | 120.0° | 120.2° |
| F35 | C34 | C36 | 120.0° | 119.9° |
| C34 | C36 | C37 | 120.0° | 120.1° |
| C34 | C36 | H24 | 120.0° | 120.0° |
| C37 | C36 | H24 | 120.0° | 119.9° |
| C36 | C37 | H23 | 119.9° | 120.1° |
| C39 | C38 | C40 | 120.0° | 120.0° |
| C38 | C39 | H7 | 109.6° | 109.5° |
| C38 | C39 | H8 | 108.9° | 109.5° |
| C38 | C39 | H9 | 109.7° | 109.5° |
| C38 | C40 | H3 | 120.1° | 120.0° |
| H7 | C39 | H8 | 108.9° | 109.5° |
| H7 | C39 | H9 | 109.8° | 109.4° |
| H8 | C39 | H9 | 109.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H4 | H5 | 119.1° | 120.0° |
| C2 | C1 | H4 | H6 | 120.6° | 120.0° |
| C2 | C1 | H5 | H6 | 120.2° | 120.0° |
| C1 | C2 | C3 | C40 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 180.0° | 180.0° |
| C1 | C2 | C3 | H1 | 0.0° | 0.0° |
| C1 | C2 | C40 | C38 | 180.0° | 179.7° |
| C1 | C2 | C40 | H3 | 0.0° | 0.3° |
| H4 | C1 | H5 | H6 | 120.3° | 120.0° |
| H4 | C1 | C2 | C3 | 111.2° | 90.0° |
| H4 | C1 | C2 | C40 | 68.8° | 90.2° |
| H5 | C1 | C2 | C3 | 129.7° | 150.0° |
| H5 | C1 | C2 | C40 | 50.3° | 29.7° |
| H6 | C1 | C2 | C3 | 9.4° | 30.0° |
| H6 | C1 | C2 | C40 | 170.6° | 149.7° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C3 | C2 | C40 | C38 | 0.0° | 0.6° |
| C3 | C2 | C40 | H3 | 180.0° | 180.0° |
| C40 | C2 | C3 | C4 | 0.0° | 0.3° |
| C40 | C2 | C3 | H1 | 180.0° | 179.7° |
| C2 | C40 | C38 | C5 | 0.0° | 0.6° |
| C2 | C40 | C38 | C39 | 180.0° | 179.7° |
| C2 | C40 | C38 | H3 | 180.0° | 179.4° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | S6 | 180.0° | 180.0° |
| C3 | C4 | C5 | C38 | 0.0° | 0.0° |
| H1 | C3 | C4 | C5 | 180.0° | 180.0° |
| H1 | C3 | C4 | H2 | 0.0° | 0.0° |
| C4 | C5 | S6 | C38 | 180.0° | 179.9° |
| C4 | C5 | S6 | C7 | 84.2° | 0.0° |
| C4 | C5 | C38 | C39 | 180.0° | 180.0° |
| C4 | C5 | C38 | C40 | 0.0° | 0.3° |
| H2 | C4 | C5 | S6 | 0.0° | 0.0° |
| H2 | C4 | C5 | C38 | 180.0° | 180.0° |
| C5 | S6 | C7 | C8 | 60.0° | 180.0° |
| C5 | S6 | C7 | H10 | 56.9° | 60.0° |
| C5 | S6 | C7 | H11 | 177.6° | 60.0° |
| S6 | C5 | C38 | C39 | 0.0° | 0.0° |
| S6 | C5 | C38 | C40 | 180.0° | 179.7° |
| C38 | C5 | S6 | C7 | 95.8° | 180.0° |
| C5 | C38 | C39 | C40 | 180.0° | 179.7° |
| C5 | C38 | C39 | H7 | 12.6° | 90.0° |
| C5 | C38 | C39 | H8 | 106.5° | 149.9° |
| C5 | C38 | C39 | H9 | 133.2° | 30.0° |
| C5 | C38 | C40 | H3 | 180.0° | 180.0° |
| S6 | C7 | C8 | H10 | 117.0° | 120.0° |
| S6 | C7 | C8 | H11 | 122.3° | 120.0° |
| S6 | C7 | H10 | H11 | 120.7° | 120.0° |
| S6 | C7 | C8 | N9 | 139.8° | 180.0° |
| S6 | C7 | C8 | H12 | 102.6° | 59.9° |
| S6 | C7 | C8 | H13 | 18.0° | 60.0° |
| C8 | C7 | H10 | H11 | 120.7° | 119.9° |
| C7 | C8 | N9 | H12 | 117.7° | 120.0° |
| C7 | C8 | N9 | H13 | 121.8° | 120.0° |
| C7 | C8 | H12 | H13 | 120.6° | 119.9° |
| C7 | C8 | N9 | C10 | 98.2° | 180.0° |
| C7 | C8 | N9 | H14 | 81.9° | 0.0° |
| H10 | C7 | C8 | N9 | 22.7° | 60.0° |
| H10 | C7 | C8 | H12 | 140.4° | 180.0° |
| H10 | C7 | C8 | H13 | 99.0° | 60.1° |
| H11 | C7 | C8 | N9 | 97.9° | 60.0° |
| H11 | C7 | C8 | H12 | 19.7° | 60.1° |
| H11 | C7 | C8 | H13 | 140.4° | 180.0° |
| N9 | C8 | H12 | H13 | 120.5° | 120.0° |
| C8 | N9 | C10 | H14 | 179.9° | 180.0° |
| C8 | N9 | C10 | C11 | 0.1° | 5.9° |
| C8 | N9 | C10 | C15 | 180.0° | 173.9° |
| H12 | C8 | N9 | C10 | 19.5° | 60.0° |
| H12 | C8 | N9 | H14 | 160.4° | 120.0° |
| H13 | C8 | N9 | C10 | 140.0° | 60.0° |
| H13 | C8 | N9 | H14 | 39.9° | 120.0° |
| N9 | C10 | C11 | C15 | 180.0° | 179.8° |
| N9 | C10 | C11 | C12 | 180.0° | 180.0° |
| N9 | C10 | C11 | H16 | 0.0° | 0.0° |
| N9 | C10 | C15 | C14 | 179.9° | 179.8° |
| N9 | C10 | C15 | N16 | 0.0° | 0.2° |
| H14 | N9 | C10 | C11 | 180.0° | 174.1° |
| H14 | N9 | C10 | C15 | 0.1° | 6.1° |
| C10 | C11 | C12 | H16 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C10 | C11 | C12 | H15 | 180.0° | 180.0° |
| C11 | C10 | C15 | C14 | 0.0° | 0.5° |
| C11 | C10 | C15 | N16 | 180.0° | 180.0° |
| C15 | C10 | C11 | C12 | 0.0° | 0.2° |
| C15 | C10 | C11 | H16 | 180.0° | 179.8° |
| C10 | C15 | C14 | C13 | 0.0° | 0.5° |
| C10 | C15 | C14 | N16 | 180.0° | 179.6° |
| C10 | C15 | C14 | H17 | 180.0° | 179.7° |
| C10 | C15 | N16 | O17 | 0.0° | 37.9° |
| C10 | C15 | N16 | O18 | 180.0° | 142.0° |
| C11 | C12 | C13 | H15 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.0° | 0.1° |
| C11 | C12 | C13 | S19 | 180.0° | 180.0° |
| H16 | C11 | C12 | C13 | 180.0° | 180.0° |
| H16 | C11 | C12 | H15 | 0.0° | 0.1° |
| C12 | C13 | C14 | S19 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.2° |
| C12 | C13 | C14 | H17 | 180.0° | 180.0° |
| C12 | C13 | S19 | O20 | 13.2° | 22.6° |
| C12 | C13 | S19 | O21 | 132.4° | 157.4° |
| C12 | C13 | S19 | N22 | 107.4° | 90.0° |
| H15 | C12 | C13 | C14 | 180.0° | 180.0° |
| H15 | C12 | C13 | S19 | 0.0° | 0.0° |
| C13 | C14 | C15 | H17 | 179.9° | 179.8° |
| C13 | C14 | C15 | N16 | 180.0° | 180.0° |
| C14 | C13 | S19 | O20 | 166.9° | 157.4° |
| C14 | C13 | S19 | O21 | 47.6° | 22.6° |
| C14 | C13 | S19 | N22 | 72.6° | 90.0° |
| S19 | C13 | C14 | C15 | 180.0° | 179.8° |
| S19 | C13 | C14 | H17 | 0.1° | 0.0° |
| C13 | S19 | O20 | O21 | 119.3° | 123.1° |
| C13 | S19 | O20 | N22 | 120.6° | 113.8° |
| C13 | S19 | O21 | N22 | 120.3° | 113.7° |
| C13 | S19 | N22 | C23 | 89.3° | 65.0° |
| C13 | S19 | N22 | H18 | 90.7° | 114.9° |
| C14 | C15 | N16 | O17 | 180.0° | 142.6° |
| C14 | C15 | N16 | O18 | 0.0° | 37.5° |
| H17 | C14 | C15 | N16 | 0.1° | 0.2° |
| C15 | N16 | O17 | O18 | 180.0° | 179.9° |
| O20 | S19 | O21 | N22 | 120.1° | 123.1° |
| O20 | S19 | N22 | C23 | 31.1° | 177.6° |
| O20 | S19 | N22 | H18 | 148.8° | 2.3° |
| O21 | S19 | N22 | C23 | 150.8° | 47.6° |
| O21 | S19 | N22 | H18 | 29.2° | 132.5° |
| S19 | N22 | C23 | H18 | 180.0° | 179.9° |
| S19 | N22 | C23 | O24 | 0.0° | 0.0° |
| S19 | N22 | C23 | C25 | 180.0° | 180.0° |
| N22 | C23 | O24 | C25 | 179.9° | 180.0° |
| N22 | C23 | C25 | C26 | 180.0° | 180.0° |
| N22 | C23 | C25 | C30 | 0.0° | 0.2° |
| H18 | N22 | C23 | O24 | 180.0° | 179.9° |
| H18 | N22 | C23 | C25 | 0.1° | 0.1° |
| O24 | C23 | C25 | C26 | 0.1° | 0.0° |
| O24 | C23 | C25 | C30 | 179.9° | 179.8° |
| C23 | C25 | C26 | C30 | 180.0° | 179.7° |
| C23 | C25 | C26 | C27 | 180.0° | 180.0° |
| C23 | C25 | C26 | H22 | 0.0° | 0.0° |
| C23 | C25 | C30 | C29 | 180.0° | 179.7° |
| C23 | C25 | C30 | H19 | 0.0° | 0.2° |
| C25 | C26 | C27 | H22 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.0° | 0.0° |
| C25 | C26 | C27 | H21 | 180.0° | 180.0° |
| C26 | C25 | C30 | C29 | 0.0° | 0.6° |
| C26 | C25 | C30 | H19 | 180.0° | 180.0° |
| C30 | C25 | C26 | C27 | 0.0° | 0.3° |
| C30 | C25 | C26 | H22 | 180.0° | 179.7° |
| C25 | C30 | C29 | C28 | 0.0° | 0.5° |
| C25 | C30 | C29 | H19 | 179.9° | 179.5° |
| C25 | C30 | C29 | H20 | 180.0° | 179.7° |
| C26 | C27 | C28 | H21 | 179.9° | 180.0° |
| C26 | C27 | C28 | C29 | 0.0° | 0.0° |
| C26 | C27 | C28 | C31 | 180.0° | 179.9° |
| H22 | C26 | C27 | C28 | 180.0° | 180.0° |
| H22 | C26 | C27 | H21 | 0.0° | 0.0° |
| C27 | C28 | C29 | C31 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.0° | 0.3° |
| C27 | C28 | C29 | H20 | 180.0° | 180.0° |
| C27 | C28 | C31 | C32 | 7.3° | 140.2° |
| C27 | C28 | C31 | C37 | 172.7° | 40.0° |
| H21 | C27 | C28 | C29 | 180.0° | 180.0° |
| H21 | C27 | C28 | C31 | 0.1° | 0.0° |
| C28 | C29 | C30 | H20 | 180.0° | 179.8° |
| C28 | C29 | C30 | H19 | 180.0° | 180.0° |
| C29 | C28 | C31 | C32 | 172.7° | 39.8° |
| C29 | C28 | C31 | C37 | 7.2° | 140.0° |
| C31 | C28 | C29 | C30 | 180.0° | 179.8° |
| C31 | C28 | C29 | H20 | 0.0° | 0.0° |
| C28 | C31 | C32 | C37 | 180.0° | 179.8° |
| C28 | C31 | C32 | C33 | 180.0° | 180.0° |
| C28 | C31 | C32 | H26 | 0.0° | 0.0° |
| C28 | C31 | C37 | C36 | 179.9° | 179.7° |
| C28 | C31 | C37 | H23 | 0.0° | 0.3° |
| H20 | C29 | C30 | H19 | 0.0° | 0.2° |
| C31 | C32 | C33 | H26 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.0° | 0.1° |
| C31 | C32 | C33 | H25 | 180.0° | 180.0° |
| C32 | C31 | C37 | C36 | 0.1° | 0.5° |
| C32 | C31 | C37 | H23 | 180.0° | 180.0° |
| C37 | C31 | C32 | C33 | 0.0° | 0.2° |
| C37 | C31 | C32 | H26 | 180.0° | 179.7° |
| C31 | C37 | C36 | C34 | 0.1° | 0.6° |
| C31 | C37 | C36 | H23 | 179.9° | 179.4° |
| C31 | C37 | C36 | H24 | 180.0° | 179.7° |
| C32 | C33 | C34 | H25 | 180.0° | 180.0° |
| C32 | C33 | C34 | F35 | 180.0° | 180.0° |
| C32 | C33 | C34 | C36 | 0.0° | 0.0° |
| H26 | C32 | C33 | C34 | 180.0° | 180.0° |
| H26 | C32 | C33 | H25 | 0.0° | 0.0° |
| C33 | C34 | F35 | C36 | 180.0° | 180.0° |
| C33 | C34 | C36 | C37 | 0.0° | 0.3° |
| C33 | C34 | C36 | H24 | 180.0° | 180.0° |
| H25 | C33 | C34 | F35 | 0.0° | 0.0° |
| H25 | C33 | C34 | C36 | 180.0° | 180.0° |
| F35 | C34 | C36 | C37 | 179.9° | 179.7° |
| F35 | C34 | C36 | H24 | 0.0° | 0.1° |
| C34 | C36 | C37 | H24 | 180.0° | 179.8° |
| C34 | C36 | C37 | H23 | 180.0° | 180.0° |
| H24 | C36 | C37 | H23 | 0.0° | 0.3° |
| C38 | C39 | H7 | H8 | 119.1° | 120.1° |
| C38 | C39 | H7 | H9 | 120.6° | 120.0° |
| C38 | C39 | H8 | H9 | 120.2° | 120.0° |
| C39 | C38 | C40 | H3 | 0.0° | 0.3° |
| C40 | C38 | C39 | H7 | 167.4° | 89.7° |
| C40 | C38 | C39 | H8 | 73.5° | 30.3° |
| C40 | C38 | C39 | H9 | 46.8° | 150.3° |
| H7 | C39 | H8 | H9 | 120.3° | 119.9° |
