XIV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.43Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.43Å | Aromatic |
| C1 | S35 | sing | 1.76Å | 1.77Å | |
| C2 | C3 | sing | 1.39Å | 1.46Å | Aromatic |
| C2 | F34 | sing | 1.35Å | 1.34Å | |
| C3 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
| C3 | F33 | sing | 1.35Å | 1.35Å | |
| C4 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.49Å | |
| C5 | C6 | doub | 1.38Å | 1.43Å | Aromatic |
| C7 | O8 | doub | 1.22Å | 1.25Å | |
| C7 | N9 | sing | 1.35Å | 1.48Å | |
| N9 | C10 | sing | 1.45Å | 1.48Å | |
| N9 | C15 | sing | 1.45Å | 1.47Å | |
| C10 | C11 | sing | 1.54Å | 1.57Å | |
| C11 | C12 | sing | 1.52Å | 1.50Å | |
| C12 | C13 | doub | 1.35Å | 1.36Å | Aromatic |
| C12 | C18 | sing | 1.40Å | 1.45Å | Aromatic |
| C13 | C14 | sing | 1.52Å | 1.48Å | |
| C13 | N16 | sing | 1.34Å | 1.35Å | Aromatic |
| C14 | C15 | sing | 1.54Å | 1.56Å | |
| N16 | N17 | sing | 1.40Å | 1.40Å | Aromatic |
| N17 | C18 | doub | 1.31Å | 1.34Å | Aromatic |
| C18 | O19 | sing | 1.36Å | 1.38Å | |
| O19 | C20 | sing | 1.43Å | 1.46Å | |
| C20 | C21 | sing | 1.51Å | 1.51Å | |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.43Å | Aromatic |
| C22 | C29 | sing | 1.51Å | 1.55Å | |
| C23 | C24 | doub | 1.38Å | 1.34Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | CL28 | sing | 1.74Å | 1.75Å | |
| C25 | C26 | doub | 1.38Å | 1.35Å | Aromatic |
| C25 | C27 | sing | 1.51Å | 1.48Å | |
| C29 | C30 | sing | 1.53Å | 1.58Å | |
| C29 | C31 | sing | 1.53Å | 1.57Å | |
| C29 | C32 | sing | 1.53Å | 1.54Å | |
| S35 | O36 | doub | 1.42Å | 1.54Å | |
| S35 | O37 | doub | 1.42Å | 1.68Å | |
| S35 | N38 | sing | 1.66Å | 1.55Å | |
| C10 | H42 | sing | 1.09Å | 1.10Å | |
| C10 | H41 | sing | 1.09Å | 1.10Å | |
| C11 | H44 | sing | 1.09Å | 1.10Å | |
| C11 | H43 | sing | 1.09Å | 1.10Å | |
| C15 | H47 | sing | 1.09Å | 1.10Å | |
| C15 | H48 | sing | 1.09Å | 1.10Å | |
| C20 | H50 | sing | 1.09Å | 1.10Å | |
| C20 | H51 | sing | 1.09Å | 1.10Å | |
| C23 | H52 | sing | 1.08Å | 1.08Å | |
| C26 | H53 | sing | 1.08Å | 1.08Å | |
| C27 | H54 | sing | 1.09Å | 1.10Å | |
| C27 | H55 | sing | 1.09Å | 1.10Å | |
| C27 | H56 | sing | 1.09Å | 1.10Å | |
| C5 | H39 | sing | 1.08Å | 1.08Å | |
| C6 | H40 | sing | 1.08Å | 1.08Å | |
| C14 | H46 | sing | 1.09Å | 1.10Å | |
| C14 | H45 | sing | 1.09Å | 1.10Å | |
| N16 | H49 | sing | 0.97Å | 1.00Å | |
| C30 | H58 | sing | 1.09Å | 1.10Å | |
| C30 | H59 | sing | 1.09Å | 1.10Å | |
| C30 | H57 | sing | 1.09Å | 1.10Å | |
| C31 | H62 | sing | 1.09Å | 1.10Å | |
| C31 | H61 | sing | 1.09Å | 1.10Å | |
| C31 | H60 | sing | 1.09Å | 1.10Å | |
| C32 | H65 | sing | 1.09Å | 1.10Å | |
| C32 | H63 | sing | 1.09Å | 1.10Å | |
| C32 | H64 | sing | 1.09Å | 1.10Å | |
| N38 | H67 | sing | 0.97Å | 1.00Å | |
| N38 | H66 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 117.4° | 120.3° |
| C2 | C1 | S35 | 124.8° | 119.8° |
| C1 | C2 | C3 | 120.6° | 120.1° |
| C1 | C2 | F34 | 122.0° | 120.0° |
| C6 | C1 | S35 | 117.8° | 119.8° |
| C1 | C6 | C5 | 122.3° | 120.2° |
| C1 | C6 | H40 | 118.8° | 119.9° |
| C1 | S35 | O36 | 99.0° | 106.4° |
| C1 | S35 | O37 | 108.8° | 106.4° |
| C1 | S35 | N38 | 106.1° | 107.2° |
| C3 | C2 | F34 | 117.3° | 120.0° |
| C2 | C3 | C4 | 119.6° | 119.7° |
| C2 | C3 | F33 | 119.5° | 120.1° |
| C4 | C3 | F33 | 120.9° | 120.2° |
| C3 | C4 | C5 | 120.6° | 119.7° |
| C3 | C4 | C7 | 120.2° | 120.1° |
| C5 | C4 | C7 | 119.2° | 120.2° |
| C4 | C5 | C6 | 119.5° | 119.9° |
| C4 | C5 | H39 | 120.2° | 120.0° |
| C4 | C7 | O8 | 112.1° | 120.0° |
| C4 | C7 | N9 | 120.6° | 120.0° |
| C6 | C5 | H39 | 120.3° | 120.1° |
| C5 | C6 | H40 | 118.9° | 119.8° |
| O8 | C7 | N9 | 127.3° | 120.0° |
| C7 | N9 | C10 | 126.2° | 117.0° |
| C7 | N9 | C15 | 117.1° | 117.0° |
| C10 | N9 | C15 | 114.4° | 126.1° |
| N9 | C10 | C11 | 115.9° | 109.6° |
| N9 | C10 | H42 | 107.8° | 109.4° |
| N9 | C10 | H41 | 107.9° | 109.4° |
| N9 | C15 | C14 | 113.7° | 109.6° |
| N9 | C15 | H47 | 108.4° | 109.4° |
| N9 | C15 | H48 | 108.4° | 109.4° |
| C10 | C11 | C12 | 115.9° | 106.9° |
| C11 | C10 | H42 | 107.8° | 109.4° |
| C11 | C10 | H41 | 107.8° | 109.5° |
| C10 | C11 | H44 | 107.8° | 110.0° |
| C10 | C11 | H43 | 107.8° | 110.0° |
| C11 | C12 | C13 | 130.3° | 124.8° |
| C11 | C12 | C18 | 125.1° | 126.9° |
| C12 | C11 | H44 | 107.8° | 109.9° |
| C12 | C11 | H43 | 107.8° | 109.9° |
| C13 | C12 | C18 | 104.6° | 108.2° |
| C12 | C13 | C14 | 131.6° | 124.8° |
| C12 | C13 | N16 | 108.6° | 108.2° |
| C12 | C18 | N17 | 111.2° | 107.7° |
| C12 | C18 | O19 | 125.0° | 126.2° |
| C14 | C13 | N16 | 119.8° | 127.0° |
| C13 | C14 | C15 | 109.4° | 107.0° |
| C13 | C14 | H46 | 109.5° | 110.0° |
| C13 | C14 | H45 | 109.5° | 110.0° |
| C13 | N16 | N17 | 111.7° | 107.7° |
| C13 | N16 | H49 | 124.2° | 126.2° |
| C14 | C15 | H47 | 108.4° | 109.5° |
| C14 | C15 | H48 | 108.4° | 109.5° |
| C15 | C14 | H46 | 109.5° | 109.9° |
| C15 | C14 | H45 | 109.5° | 110.0° |
| N16 | N17 | C18 | 103.9° | 108.2° |
| N17 | N16 | H49 | 124.1° | 126.1° |
| N17 | C18 | O19 | 123.2° | 126.1° |
| C18 | O19 | C20 | 112.4° | 117.0° |
| O19 | C20 | C21 | 108.1° | 109.5° |
| O19 | C20 | H50 | 109.8° | 109.5° |
| O19 | C20 | H51 | 109.8° | 109.5° |
| C20 | C21 | C22 | 126.9° | 120.0° |
| C20 | C21 | C26 | 112.0° | 120.0° |
| C21 | C20 | H50 | 109.8° | 109.4° |
| C21 | C20 | H51 | 109.8° | 109.5° |
| C22 | C21 | C26 | 121.0° | 120.0° |
| C21 | C22 | C23 | 113.7° | 120.0° |
| C21 | C22 | C29 | 126.5° | 120.0° |
| C21 | C26 | C25 | 122.3° | 120.0° |
| C21 | C26 | H53 | 118.9° | 119.9° |
| C23 | C22 | C29 | 119.8° | 120.0° |
| C22 | C23 | C24 | 123.0° | 120.0° |
| C22 | C23 | H52 | 118.5° | 120.0° |
| C22 | C29 | C30 | 109.9° | 109.5° |
| C22 | C29 | C31 | 114.6° | 109.4° |
| C22 | C29 | C32 | 110.8° | 109.5° |
| C23 | C24 | C25 | 123.1° | 120.0° |
| C23 | C24 | CL28 | 116.3° | 120.1° |
| C24 | C23 | H52 | 118.5° | 119.9° |
| C25 | C24 | CL28 | 120.5° | 120.0° |
| C24 | C25 | C26 | 116.9° | 120.0° |
| C24 | C25 | C27 | 122.8° | 120.0° |
| C26 | C25 | C27 | 120.3° | 120.0° |
| C25 | C26 | H53 | 118.8° | 120.0° |
| C25 | C27 | H54 | 109.5° | 109.4° |
| C25 | C27 | H55 | 109.4° | 109.5° |
| C25 | C27 | H56 | 109.5° | 109.4° |
| C30 | C29 | C31 | 104.7° | 109.5° |
| C30 | C29 | C32 | 108.8° | 109.5° |
| C29 | C30 | H58 | 109.5° | 109.5° |
| C29 | C30 | H59 | 109.5° | 109.5° |
| C29 | C30 | H57 | 109.5° | 109.4° |
| C31 | C29 | C32 | 107.8° | 109.5° |
| C29 | C31 | H62 | 109.5° | 109.4° |
| C29 | C31 | H61 | 109.5° | 109.5° |
| C29 | C31 | H60 | 109.5° | 109.5° |
| C29 | C32 | H65 | 109.5° | 109.5° |
| C29 | C32 | H63 | 109.5° | 109.5° |
| C29 | C32 | H64 | 109.4° | 109.5° |
| O36 | S35 | O37 | 117.8° | 123.2° |
| O36 | S35 | N38 | 107.7° | 106.4° |
| O37 | S35 | N38 | 115.6° | 106.4° |
| S35 | N38 | H67 | 109.5° | 120.0° |
| S35 | N38 | H66 | 109.5° | 120.0° |
| H42 | C10 | H41 | 109.5° | 109.5° |
| H44 | C11 | H43 | 109.5° | 110.0° |
| H47 | C15 | H48 | 109.5° | 109.5° |
| H50 | C20 | H51 | 109.5° | 109.5° |
| H54 | C27 | H55 | 109.5° | 109.5° |
| H54 | C27 | H56 | 109.5° | 109.6° |
| H55 | C27 | H56 | 109.5° | 109.5° |
| H46 | C14 | H45 | 109.4° | 110.0° |
| H58 | C30 | H59 | 109.4° | 109.5° |
| H58 | C30 | H57 | 109.5° | 109.5° |
| H59 | C30 | H57 | 109.5° | 109.5° |
| H62 | C31 | H61 | 109.4° | 109.4° |
| H62 | C31 | H60 | 109.4° | 109.5° |
| H61 | C31 | H60 | 109.5° | 109.5° |
| H65 | C32 | H63 | 109.5° | 109.4° |
| H65 | C32 | H64 | 109.5° | 109.5° |
| H63 | C32 | H64 | 109.4° | 109.5° |
| H67 | N38 | H66 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | S35 | 179.5° | 179.7° |
| C1 | C2 | C3 | F34 | 178.8° | 180.0° |
| C1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C1 | C2 | C3 | F33 | 177.6° | 180.0° |
| C2 | C1 | C6 | C5 | 0.4° | 0.0° |
| C2 | C1 | S35 | O36 | 158.3° | 48.6° |
| C2 | C1 | S35 | O37 | 34.7° | 178.5° |
| C2 | C1 | S35 | N38 | 90.3° | 65.0° |
| C2 | C1 | C6 | H40 | 179.6° | 180.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.0° |
| C6 | C1 | C2 | F34 | 179.2° | 180.0° |
| C1 | C6 | C5 | C4 | 0.8° | 0.1° |
| C1 | C6 | C5 | H40 | 180.0° | 179.9° |
| C6 | C1 | S35 | O36 | 21.2° | 131.7° |
| C6 | C1 | S35 | O37 | 144.7° | 1.2° |
| C6 | C1 | S35 | N38 | 90.2° | 114.7° |
| C1 | C6 | C5 | H39 | 179.2° | 180.0° |
| S35 | C1 | C2 | C3 | 179.1° | 179.7° |
| S35 | C1 | C2 | F34 | 0.3° | 0.3° |
| S35 | C1 | C6 | C5 | 179.9° | 179.7° |
| C1 | S35 | O36 | O37 | 116.9° | 122.9° |
| C1 | S35 | O36 | N38 | 110.2° | 114.1° |
| C1 | S35 | O37 | N38 | 119.2° | 114.1° |
| S35 | C1 | C6 | H40 | 0.1° | 0.3° |
| C1 | S35 | N38 | H67 | 180.0° | 150.0° |
| C1 | S35 | N38 | H66 | 60.0° | 30.0° |
| C2 | C3 | C4 | F33 | 178.4° | 179.9° |
| C2 | C3 | C4 | C5 | 0.4° | 0.1° |
| C2 | C3 | C4 | C7 | 178.4° | 179.9° |
| F34 | C2 | C3 | C4 | 179.6° | 180.0° |
| F34 | C2 | C3 | F33 | 1.2° | 0.0° |
| C3 | C4 | C5 | C7 | 178.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.1° |
| C3 | C4 | C7 | O8 | 135.8° | 54.3° |
| C3 | C4 | C7 | N9 | 44.7° | 125.7° |
| C3 | C4 | C5 | H39 | 179.6° | 180.0° |
| F33 | C3 | C4 | C5 | 178.0° | 180.0° |
| F33 | C3 | C4 | C7 | 3.2° | 0.0° |
| C4 | C5 | C6 | H39 | 180.0° | 179.9° |
| C5 | C4 | C7 | O8 | 42.9° | 125.7° |
| C5 | C4 | C7 | N9 | 136.6° | 54.3° |
| C4 | C5 | C6 | H40 | 179.2° | 180.0° |
| C7 | C4 | C5 | C6 | 179.2° | 179.9° |
| C4 | C7 | O8 | N9 | 179.5° | 180.0° |
| C4 | C7 | N9 | C10 | 28.2° | 5.4° |
| C4 | C7 | N9 | C15 | 170.3° | 174.5° |
| C7 | C4 | C5 | H39 | 0.8° | 0.0° |
| O8 | C7 | N9 | C10 | 151.2° | 174.6° |
| O8 | C7 | N9 | C15 | 10.3° | 5.5° |
| C7 | N9 | C10 | C15 | 162.0° | 179.9° |
| C7 | N9 | C10 | C11 | 90.3° | 109.0° |
| C7 | N9 | C15 | C14 | 77.1° | 109.0° |
| C7 | N9 | C10 | H42 | 148.8° | 11.0° |
| C7 | N9 | C10 | H41 | 30.7° | 131.0° |
| C7 | N9 | C15 | H47 | 43.5° | 11.0° |
| C7 | N9 | C15 | H48 | 162.3° | 131.0° |
| N9 | C10 | C11 | H42 | 120.9° | 120.0° |
| N9 | C10 | C11 | H41 | 120.9° | 120.0° |
| N9 | C10 | C11 | C12 | 55.0° | 74.9° |
| C10 | N9 | C15 | C14 | 86.6° | 70.9° |
| N9 | C10 | H42 | H41 | 117.1° | 119.9° |
| N9 | C10 | C11 | H44 | 175.9° | 165.8° |
| N9 | C10 | C11 | H43 | 66.0° | 44.4° |
| C10 | N9 | C15 | H47 | 152.8° | 169.1° |
| C10 | N9 | C15 | H48 | 34.0° | 49.1° |
| C15 | N9 | C10 | C11 | 71.7° | 70.9° |
| N9 | C15 | C14 | C13 | 73.8° | 74.9° |
| N9 | C15 | C14 | H47 | 120.6° | 120.0° |
| N9 | C15 | C14 | H48 | 120.6° | 120.0° |
| C15 | N9 | C10 | H42 | 49.2° | 169.1° |
| C15 | N9 | C10 | H41 | 167.4° | 49.1° |
| N9 | C15 | H47 | H48 | 118.1° | 119.9° |
| N9 | C15 | C14 | H46 | 166.2° | 165.7° |
| N9 | C15 | C14 | H45 | 46.3° | 44.5° |
| C10 | C11 | C12 | H44 | 120.9° | 119.4° |
| C10 | C11 | C12 | H43 | 120.9° | 119.4° |
| C10 | C11 | C12 | C13 | 41.9° | 65.5° |
| C10 | C11 | C12 | C18 | 141.4° | 114.5° |
| C11 | C10 | H42 | H41 | 117.1° | 120.0° |
| C10 | C11 | H44 | H43 | 117.0° | 121.3° |
| C11 | C12 | C13 | C18 | 177.2° | 180.0° |
| C11 | C12 | C13 | C14 | 6.7° | 0.0° |
| C11 | C12 | C13 | N16 | 176.1° | 180.0° |
| C11 | C12 | C18 | N17 | 177.4° | 180.0° |
| C11 | C12 | C18 | O19 | 6.0° | 0.0° |
| C12 | C11 | C10 | H42 | 65.9° | 165.1° |
| C12 | C11 | C10 | H41 | 175.9° | 45.1° |
| C12 | C11 | H44 | H43 | 117.1° | 121.2° |
| C12 | C13 | C14 | N16 | 177.0° | 179.9° |
| C12 | C13 | C14 | C15 | 40.0° | 65.5° |
| C12 | C13 | N16 | N17 | 1.9° | 0.1° |
| C13 | C12 | C18 | N17 | 0.0° | 0.0° |
| C13 | C12 | C18 | O19 | 171.4° | 180.0° |
| C13 | C12 | C11 | H44 | 162.8° | 175.1° |
| C13 | C12 | C11 | H43 | 79.1° | 53.8° |
| C12 | C13 | C14 | H46 | 160.0° | 175.1° |
| C12 | C13 | C14 | H45 | 80.0° | 53.9° |
| C12 | C13 | N16 | H49 | 178.1° | 180.0° |
| C18 | C12 | C13 | C14 | 176.1° | 180.0° |
| C18 | C12 | C13 | N16 | 1.2° | 0.0° |
| C12 | C18 | N17 | N16 | 1.1° | 0.0° |
| C12 | C18 | N17 | O19 | 171.6° | 180.0° |
| C12 | C18 | O19 | C20 | 172.2° | 179.9° |
| C18 | C12 | C11 | H44 | 20.4° | 4.9° |
| C18 | C12 | C11 | H43 | 97.7° | 126.1° |
| C13 | C14 | C15 | H46 | 120.0° | 119.4° |
| C13 | C14 | C15 | H45 | 120.0° | 119.4° |
| C14 | C13 | N16 | N17 | 175.7° | 180.0° |
| C13 | C14 | C15 | H47 | 165.6° | 165.2° |
| C13 | C14 | C15 | H48 | 46.9° | 45.2° |
| C13 | C14 | H46 | H45 | 120.0° | 121.2° |
| C14 | C13 | N16 | H49 | 4.3° | 0.1° |
| N16 | C13 | C14 | C15 | 136.9° | 114.4° |
| C13 | N16 | N17 | H49 | 180.0° | 179.9° |
| C13 | N16 | N17 | C18 | 1.9° | 0.1° |
| N16 | C13 | C14 | H46 | 17.0° | 4.9° |
| N16 | C13 | C14 | H45 | 103.0° | 126.2° |
| C14 | C15 | H47 | H48 | 118.1° | 120.0° |
| C15 | C14 | H46 | H45 | 120.0° | 121.2° |
| N16 | N17 | C18 | O19 | 170.5° | 180.0° |
| N17 | C18 | O19 | C20 | 17.3° | 0.0° |
| C18 | N17 | N16 | H49 | 178.1° | 180.0° |
| C18 | O19 | C20 | C21 | 178.8° | 180.0° |
| C18 | O19 | C20 | H50 | 59.1° | 60.0° |
| C18 | O19 | C20 | H51 | 61.4° | 60.0° |
| O19 | C20 | C21 | H50 | 119.8° | 120.0° |
| O19 | C20 | C21 | H51 | 119.8° | 120.1° |
| O19 | C20 | C21 | C22 | 81.7° | 179.2° |
| O19 | C20 | C21 | C26 | 100.1° | 0.6° |
| O19 | C20 | H50 | H51 | 120.6° | 120.0° |
| C20 | C21 | C22 | C26 | 178.1° | 179.8° |
| C20 | C21 | C22 | C23 | 178.5° | 180.0° |
| C20 | C21 | C22 | C29 | 1.3° | 0.0° |
| C20 | C21 | C26 | C25 | 177.1° | 179.7° |
| C21 | C20 | H50 | H51 | 120.6° | 120.0° |
| C20 | C21 | C26 | H53 | 2.9° | 0.0° |
| C21 | C22 | C23 | C29 | 177.4° | 180.0° |
| C21 | C22 | C23 | C24 | 1.9° | 0.0° |
| C22 | C21 | C26 | C25 | 1.3° | 0.5° |
| C21 | C22 | C29 | C30 | 52.4° | 171.5° |
| C21 | C22 | C29 | C31 | 169.9° | 51.6° |
| C21 | C22 | C29 | C32 | 67.9° | 68.5° |
| C22 | C21 | C20 | H50 | 158.6° | 59.2° |
| C22 | C21 | C20 | H51 | 38.1° | 60.8° |
| C21 | C22 | C23 | H52 | 178.0° | 180.0° |
| C22 | C21 | C26 | H53 | 178.8° | 179.8° |
| C26 | C21 | C22 | C23 | 0.4° | 0.2° |
| C26 | C21 | C22 | C29 | 176.8° | 179.7° |
| C21 | C26 | C25 | C24 | 1.5° | 0.5° |
| C21 | C26 | C25 | H53 | 180.0° | 179.7° |
| C21 | C26 | C25 | C27 | 177.9° | 179.7° |
| C26 | C21 | C20 | H50 | 19.7° | 120.6° |
| C26 | C21 | C20 | H51 | 140.1° | 119.4° |
| C22 | C23 | C24 | H52 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 1.8° | 0.1° |
| C22 | C23 | C24 | CL28 | 175.3° | 180.0° |
| C23 | C22 | C29 | C30 | 130.6° | 8.5° |
| C23 | C22 | C29 | C31 | 13.0° | 128.5° |
| C23 | C22 | C29 | C32 | 109.1° | 111.5° |
| C29 | C22 | C23 | C24 | 175.5° | 180.0° |
| C22 | C29 | C30 | C31 | 123.5° | 119.9° |
| C22 | C29 | C30 | C32 | 121.5° | 120.0° |
| C22 | C29 | C31 | C32 | 123.8° | 120.0° |
| C29 | C22 | C23 | H52 | 4.5° | 0.0° |
| C22 | C29 | C30 | H58 | 180.0° | 60.0° |
| C22 | C29 | C30 | H59 | 60.0° | 180.0° |
| C22 | C29 | C30 | H57 | 60.0° | 60.0° |
| C22 | C29 | C31 | H62 | 180.0° | 80.9° |
| C22 | C29 | C31 | H61 | 60.0° | 159.1° |
| C22 | C29 | C31 | H60 | 60.0° | 39.1° |
| C22 | C29 | C32 | H65 | 180.0° | 61.4° |
| C22 | C29 | C32 | H63 | 60.0° | 178.6° |
| C22 | C29 | C32 | H64 | 60.0° | 58.5° |
| C23 | C24 | C25 | CL28 | 177.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.0° | 0.2° |
| C23 | C24 | C25 | C27 | 179.4° | 180.0° |
| C24 | C25 | C26 | C27 | 179.4° | 179.8° |
| C25 | C24 | C23 | H52 | 178.1° | 180.0° |
| C24 | C25 | C26 | H53 | 178.6° | 179.8° |
| C24 | C25 | C27 | H54 | 90.3° | 90.1° |
| C24 | C25 | C27 | H55 | 149.6° | 149.9° |
| C24 | C25 | C27 | H56 | 29.7° | 30.0° |
| CL28 | C24 | C25 | C26 | 177.0° | 179.7° |
| CL28 | C24 | C25 | C27 | 2.4° | 0.1° |
| CL28 | C24 | C23 | H52 | 4.7° | 0.0° |
| C26 | C25 | C27 | H54 | 90.3° | 89.7° |
| C26 | C25 | C27 | H55 | 29.7° | 30.3° |
| C26 | C25 | C27 | H56 | 149.7° | 150.2° |
| C27 | C25 | C26 | H53 | 2.1° | 0.0° |
| C25 | C27 | H54 | H55 | 120.0° | 120.0° |
| C25 | C27 | H54 | H56 | 120.0° | 120.0° |
| C25 | C27 | H55 | H56 | 120.0° | 119.9° |
| C30 | C29 | C31 | C32 | 115.7° | 120.0° |
| C29 | C30 | H58 | H59 | 120.0° | 120.0° |
| C29 | C30 | H58 | H57 | 120.0° | 120.0° |
| C29 | C30 | H59 | H57 | 120.0° | 120.0° |
| C30 | C29 | C31 | H62 | 59.5° | 159.1° |
| C30 | C29 | C31 | H61 | 60.4° | 39.1° |
| C30 | C29 | C31 | H60 | 179.5° | 80.9° |
| C30 | C29 | C32 | H65 | 59.1° | 58.6° |
| C30 | C29 | C32 | H63 | 179.1° | 61.4° |
| C30 | C29 | C32 | H64 | 61.0° | 178.6° |
| C31 | C29 | C30 | H58 | 56.5° | 60.0° |
| C31 | C29 | C30 | H59 | 176.5° | 60.1° |
| C31 | C29 | C30 | H57 | 63.5° | 180.0° |
| C29 | C31 | H62 | H61 | 120.0° | 120.0° |
| C29 | C31 | H62 | H60 | 120.0° | 120.0° |
| C29 | C31 | H61 | H60 | 120.0° | 120.0° |
| C31 | C29 | C32 | H65 | 54.0° | 178.6° |
| C31 | C29 | C32 | H63 | 66.1° | 58.6° |
| C31 | C29 | C32 | H64 | 174.0° | 61.4° |
| C32 | C29 | C30 | H58 | 58.5° | 180.0° |
| C32 | C29 | C30 | H59 | 61.5° | 60.0° |
| C32 | C29 | C30 | H57 | 178.5° | 60.0° |
| C32 | C29 | C31 | H62 | 56.2° | 39.1° |
| C32 | C29 | C31 | H61 | 176.2° | 80.9° |
| C32 | C29 | C31 | H60 | 63.8° | 159.1° |
| C29 | C32 | H65 | H63 | 120.0° | 120.0° |
| C29 | C32 | H65 | H64 | 120.0° | 120.0° |
| C29 | C32 | H63 | H64 | 119.9° | 120.0° |
| O36 | S35 | O37 | N38 | 129.3° | 123.0° |
| O36 | S35 | N38 | H67 | 74.8° | 36.5° |
| O36 | S35 | N38 | H66 | 165.3° | 143.5° |
| O37 | S35 | N38 | H67 | 59.3° | 96.4° |
| O37 | S35 | N38 | H66 | 60.7° | 83.5° |
| S35 | N38 | H67 | H66 | 120.0° | 180.0° |
| H42 | C10 | C11 | H44 | 55.0° | 45.7° |
| H42 | C10 | C11 | H43 | 173.1° | 75.6° |
| H41 | C10 | C11 | H44 | 63.2° | 74.2° |
| H41 | C10 | C11 | H43 | 55.0° | 164.4° |
| H47 | C15 | C14 | H46 | 45.6° | 45.8° |
| H47 | C15 | C14 | H45 | 74.4° | 75.4° |
| H48 | C15 | C14 | H46 | 73.1° | 74.3° |
| H48 | C15 | C14 | H45 | 166.9° | 164.6° |
| H54 | C27 | H55 | H56 | 120.0° | 120.1° |
| H39 | C5 | C6 | H40 | 0.8° | 0.1° |
| H58 | C30 | H59 | H57 | 120.0° | 120.0° |
| H62 | C31 | H61 | H60 | 120.0° | 120.0° |
| H65 | C32 | H63 | H64 | 120.0° | 120.0° |
