XSF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C16 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C4 | N7 | sing | 1.36Å | 1.41Å | |
| C5 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C5 | C10 | sing | 1.47Å | 1.48Å | |
| N7 | C8 | doub | 1.30Å | 1.33Å | |
| C8 | N9 | sing | 1.36Å | 1.41Å | |
| N9 | C10 | sing | 1.35Å | 1.43Å | |
| N9 | C12 | sing | 1.47Å | 1.47Å | |
| C10 | O11 | doub | 1.22Å | 1.24Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C13 | N14 | sing | 1.35Å | 1.38Å | |
| C13 | O15 | doub | 1.21Å | 1.23Å | |
| N14 | C22 | sing | 1.47Å | 1.45Å | |
| N14 | C23 | sing | 1.46Å | 1.49Å | |
| C16 | C17 | sing | 1.53Å | 1.59Å | |
| C16 | C20 | sing | 1.53Å | 1.55Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | N21 | sing | 1.47Å | 1.48Å | |
| C19 | N21 | sing | 1.47Å | 1.48Å | |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| N21 | C32 | sing | 1.35Å | 1.39Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C29 | sing | 1.38Å | 1.42Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C26 | O31 | sing | 1.36Å | 1.40Å | |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | CL30 | sing | 1.74Å | 1.70Å | |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| O31 | C35 | sing | 1.43Å | 1.42Å | |
| C32 | C33 | sing | 1.51Å | 1.54Å | |
| C32 | O34 | doub | 1.21Å | 1.24Å | |
| C35 | F36 | sing | 1.40Å | 1.35Å | |
| C35 | F37 | sing | 1.40Å | 1.33Å | |
| C35 | F38 | sing | 1.40Å | 1.34Å | |
| C16 | H45 | sing | 1.09Å | 1.10Å | |
| C17 | H46 | sing | 1.09Å | 1.10Å | |
| C17 | H47 | sing | 1.09Å | 1.10Å | |
| C18 | H48 | sing | 1.09Å | 1.10Å | |
| C18 | H49 | sing | 1.09Å | 1.10Å | |
| C19 | H50 | sing | 1.09Å | 1.10Å | |
| C19 | H51 | sing | 1.09Å | 1.10Å | |
| C20 | H53 | sing | 1.09Å | 1.10Å | |
| C20 | H52 | sing | 1.09Å | 1.10Å | |
| C22 | H55 | sing | 1.09Å | 1.10Å | |
| C22 | H54 | sing | 1.09Å | 1.10Å | |
| C22 | H56 | sing | 1.09Å | 1.10Å | |
| C23 | H57 | sing | 1.09Å | 1.10Å | |
| C23 | H58 | sing | 1.09Å | 1.10Å | |
| C25 | H59 | sing | 1.08Å | 1.08Å | |
| C28 | H60 | sing | 1.08Å | 1.08Å | |
| C2 | H39 | sing | 1.08Å | 1.08Å | |
| C3 | H40 | sing | 1.08Å | 1.08Å | |
| C6 | H41 | sing | 1.08Å | 1.08Å | |
| C8 | H42 | sing | 1.08Å | 1.08Å | |
| C12 | H44 | sing | 1.09Å | 1.10Å | |
| C12 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H61 | sing | 1.08Å | 1.08Å | |
| C33 | H64 | sing | 1.09Å | 1.10Å | |
| C33 | H62 | sing | 1.09Å | 1.10Å | |
| C33 | H63 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.3° | 120.6° |
| C2 | C1 | C16 | 118.0° | 119.7° |
| C1 | C2 | C3 | 120.9° | 120.8° |
| C1 | C2 | H39 | 119.5° | 119.6° |
| C6 | C1 | C16 | 122.7° | 119.7° |
| C1 | C6 | C5 | 120.4° | 119.5° |
| C1 | C6 | H41 | 119.8° | 120.2° |
| C1 | C16 | C17 | 114.1° | 109.5° |
| C1 | C16 | C20 | 110.8° | 109.5° |
| C1 | C16 | H45 | 106.9° | 109.5° |
| C2 | C3 | C4 | 120.3° | 119.7° |
| C3 | C2 | H39 | 119.5° | 119.6° |
| C2 | C3 | H40 | 119.9° | 120.2° |
| C3 | C4 | C5 | 119.5° | 119.3° |
| C3 | C4 | N7 | 118.1° | 121.7° |
| C4 | C3 | H40 | 119.8° | 120.1° |
| C5 | C4 | N7 | 122.3° | 119.0° |
| C4 | C5 | C6 | 119.4° | 120.1° |
| C4 | C5 | C10 | 118.5° | 118.0° |
| C4 | N7 | C8 | 119.8° | 121.6° |
| C6 | C5 | C10 | 122.0° | 122.0° |
| C5 | C6 | H41 | 119.8° | 120.3° |
| C5 | C10 | N9 | 116.2° | 117.4° |
| C5 | C10 | O11 | 125.8° | 121.3° |
| N7 | C8 | N9 | 122.0° | 123.3° |
| N7 | C8 | H42 | 119.0° | 118.3° |
| C8 | N9 | C10 | 121.2° | 120.6° |
| C8 | N9 | C12 | 118.7° | 119.7° |
| N9 | C8 | H42 | 119.0° | 118.4° |
| C10 | N9 | C12 | 120.1° | 119.7° |
| N9 | C10 | O11 | 118.0° | 121.3° |
| N9 | C12 | C13 | 108.1° | 109.4° |
| N9 | C12 | H44 | 109.8° | 109.5° |
| N9 | C12 | H43 | 109.8° | 109.5° |
| C12 | C13 | N14 | 118.6° | 120.0° |
| C12 | C13 | O15 | 122.1° | 120.0° |
| C13 | C12 | H44 | 109.8° | 109.4° |
| C13 | C12 | H43 | 109.8° | 109.5° |
| N14 | C13 | O15 | 119.3° | 120.0° |
| C13 | N14 | C22 | 123.5° | 120.0° |
| C13 | N14 | C23 | 117.9° | 120.1° |
| C22 | N14 | C23 | 118.5° | 120.0° |
| N14 | C22 | H55 | 109.5° | 109.5° |
| N14 | C22 | H54 | 109.5° | 109.5° |
| N14 | C22 | H56 | 109.5° | 109.5° |
| N14 | C23 | C24 | 114.5° | 109.5° |
| N14 | C23 | H57 | 108.2° | 109.4° |
| N14 | C23 | H58 | 108.2° | 109.5° |
| C17 | C16 | C20 | 111.7° | 109.5° |
| C16 | C17 | C18 | 107.1° | 109.3° |
| C17 | C16 | H45 | 106.1° | 109.4° |
| C16 | C17 | H46 | 110.1° | 109.4° |
| C16 | C17 | H47 | 110.1° | 109.5° |
| C16 | C20 | C19 | 110.9° | 109.4° |
| C20 | C16 | H45 | 106.6° | 109.4° |
| C16 | C20 | H53 | 109.1° | 109.5° |
| C16 | C20 | H52 | 109.1° | 109.5° |
| C17 | C18 | N21 | 108.2° | 108.8° |
| C18 | C17 | H46 | 110.1° | 109.5° |
| C18 | C17 | H47 | 110.0° | 109.5° |
| C17 | C18 | H48 | 109.8° | 109.6° |
| C17 | C18 | H49 | 109.8° | 109.6° |
| C18 | N21 | C19 | 114.0° | 118.7° |
| C18 | N21 | C32 | 124.2° | 120.6° |
| N21 | C18 | H48 | 109.8° | 109.6° |
| N21 | C18 | H49 | 109.8° | 109.6° |
| N21 | C19 | C20 | 107.3° | 108.8° |
| C19 | N21 | C32 | 121.9° | 120.6° |
| N21 | C19 | H50 | 110.0° | 109.6° |
| N21 | C19 | H51 | 110.0° | 109.6° |
| C20 | C19 | H50 | 110.0° | 109.6° |
| C20 | C19 | H51 | 110.0° | 109.5° |
| C19 | C20 | H53 | 109.1° | 109.5° |
| C19 | C20 | H52 | 109.1° | 109.5° |
| N21 | C32 | C33 | 118.4° | 120.0° |
| N21 | C32 | O34 | 120.2° | 120.0° |
| C23 | C24 | C25 | 117.7° | 120.0° |
| C23 | C24 | C29 | 121.1° | 120.0° |
| C24 | C23 | H57 | 108.2° | 109.5° |
| C24 | C23 | H58 | 108.2° | 109.5° |
| C25 | C24 | C29 | 121.2° | 120.1° |
| C24 | C25 | C26 | 119.2° | 120.0° |
| C24 | C25 | H59 | 120.4° | 120.0° |
| C24 | C29 | C28 | 118.8° | 120.1° |
| C24 | C29 | H61 | 120.6° | 119.9° |
| C25 | C26 | C27 | 120.6° | 119.8° |
| C25 | C26 | O31 | 120.3° | 120.1° |
| C26 | C25 | H59 | 120.4° | 120.0° |
| C27 | C26 | O31 | 119.0° | 120.1° |
| C26 | C27 | C28 | 120.8° | 119.9° |
| C26 | C27 | CL30 | 121.5° | 120.0° |
| C26 | O31 | C35 | 120.4° | 117.0° |
| C28 | C27 | CL30 | 117.6° | 120.0° |
| C27 | C28 | C29 | 119.3° | 120.0° |
| C27 | C28 | H60 | 120.3° | 120.0° |
| C29 | C28 | H60 | 120.3° | 120.0° |
| C28 | C29 | H61 | 120.7° | 119.9° |
| O31 | C35 | F36 | 108.6° | 109.4° |
| O31 | C35 | F37 | 109.4° | 109.5° |
| O31 | C35 | F38 | 115.5° | 109.5° |
| C33 | C32 | O34 | 121.4° | 120.0° |
| C32 | C33 | H64 | 109.5° | 109.5° |
| C32 | C33 | H62 | 109.4° | 109.4° |
| C32 | C33 | H63 | 109.4° | 109.5° |
| F36 | C35 | F37 | 109.4° | 109.5° |
| F36 | C35 | F38 | 108.7° | 109.5° |
| F37 | C35 | F38 | 105.2° | 109.5° |
| H46 | C17 | H47 | 109.5° | 109.5° |
| H48 | C18 | H49 | 109.5° | 109.7° |
| H50 | C19 | H51 | 109.5° | 109.7° |
| H53 | C20 | H52 | 109.5° | 109.5° |
| H55 | C22 | H54 | 109.4° | 109.5° |
| H55 | C22 | H56 | 109.5° | 109.5° |
| H54 | C22 | H56 | 109.4° | 109.5° |
| H57 | C23 | H58 | 109.5° | 109.4° |
| H44 | C12 | H43 | 109.5° | 109.5° |
| H64 | C33 | H62 | 109.5° | 109.5° |
| H64 | C33 | H63 | 109.5° | 109.5° |
| H62 | C33 | H63 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C16 | 176.6° | 180.0° |
| C1 | C2 | C3 | H39 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.2° | 0.0° |
| C2 | C1 | C6 | C5 | 3.2° | 0.0° |
| C2 | C1 | C16 | C17 | 158.9° | 60.0° |
| C2 | C1 | C16 | C20 | 73.9° | 60.1° |
| C2 | C1 | C16 | H45 | 41.9° | 179.9° |
| C1 | C2 | C3 | H40 | 178.8° | 179.9° |
| C2 | C1 | C6 | H41 | 176.8° | 179.9° |
| C6 | C1 | C2 | C3 | 1.9° | 0.0° |
| C1 | C6 | C5 | C4 | 1.4° | 0.0° |
| C1 | C6 | C5 | H41 | 180.0° | 179.9° |
| C1 | C6 | C5 | C10 | 174.8° | 179.9° |
| C6 | C1 | C16 | C17 | 24.4° | 120.0° |
| C6 | C1 | C16 | C20 | 102.7° | 119.9° |
| C6 | C1 | C16 | H45 | 141.5° | 0.0° |
| C6 | C1 | C2 | H39 | 178.0° | 180.0° |
| C16 | C1 | C2 | C3 | 174.8° | 180.0° |
| C16 | C1 | C6 | C5 | 173.3° | 180.0° |
| C1 | C16 | C17 | C20 | 126.7° | 120.1° |
| C1 | C16 | C17 | H45 | 117.5° | 120.0° |
| C1 | C16 | C20 | H45 | 116.0° | 120.0° |
| C1 | C16 | C17 | C18 | 177.4° | 178.6° |
| C1 | C16 | C20 | C19 | 178.2° | 178.6° |
| C1 | C16 | C17 | H46 | 57.8° | 58.6° |
| C1 | C16 | C17 | H47 | 63.0° | 61.4° |
| C1 | C16 | C20 | H53 | 61.6° | 61.4° |
| C1 | C16 | C20 | H52 | 57.9° | 58.6° |
| C16 | C1 | C2 | H39 | 5.2° | 0.0° |
| C16 | C1 | C6 | H41 | 6.7° | 0.1° |
| C2 | C3 | C4 | H40 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 3.0° | 0.0° |
| C2 | C3 | C4 | N7 | 174.2° | 180.0° |
| C3 | C4 | C5 | N7 | 177.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.7° | 0.0° |
| C3 | C4 | C5 | C10 | 178.0° | 179.9° |
| C3 | C4 | N7 | C8 | 177.6° | 179.5° |
| C4 | C3 | C2 | H39 | 178.8° | 180.0° |
| C4 | C5 | C6 | C10 | 176.2° | 179.9° |
| C5 | C4 | N7 | C8 | 0.5° | 0.5° |
| C4 | C5 | C10 | N9 | 1.6° | 0.2° |
| C4 | C5 | C10 | O11 | 178.0° | 180.0° |
| C5 | C4 | C3 | H40 | 177.0° | 179.9° |
| C4 | C5 | C6 | H41 | 178.6° | 179.9° |
| N7 | C4 | C5 | C6 | 175.3° | 179.9° |
| N7 | C4 | C5 | C10 | 1.0° | 0.1° |
| C4 | N7 | C8 | N9 | 0.6° | 0.5° |
| N7 | C4 | C3 | H40 | 5.8° | 0.0° |
| C4 | N7 | C8 | H42 | 179.4° | 180.0° |
| C6 | C5 | C10 | N9 | 174.7° | 179.7° |
| C6 | C5 | C10 | O11 | 5.8° | 0.1° |
| C5 | C10 | N9 | C8 | 1.7° | 0.2° |
| C5 | C10 | N9 | O11 | 179.6° | 179.8° |
| C5 | C10 | N9 | C12 | 175.8° | 179.8° |
| C10 | C5 | C6 | H41 | 5.2° | 0.0° |
| N7 | C8 | N9 | H42 | 180.0° | 179.4° |
| N7 | C8 | N9 | C10 | 1.3° | 0.2° |
| N7 | C8 | N9 | C12 | 176.3° | 179.8° |
| C8 | N9 | C10 | C12 | 177.5° | 180.0° |
| C8 | N9 | C10 | O11 | 177.9° | 180.0° |
| C8 | N9 | C12 | C13 | 114.2° | 90.0° |
| C8 | N9 | C12 | H44 | 125.9° | 29.9° |
| C8 | N9 | C12 | H43 | 5.5° | 150.0° |
| C10 | N9 | C12 | C13 | 63.3° | 90.0° |
| C10 | N9 | C8 | H42 | 178.7° | 179.6° |
| C10 | N9 | C12 | H44 | 56.5° | 150.0° |
| C10 | N9 | C12 | H43 | 176.9° | 30.0° |
| C12 | N9 | C10 | O11 | 4.6° | 0.0° |
| N9 | C12 | C13 | H44 | 119.8° | 120.0° |
| N9 | C12 | C13 | H43 | 119.8° | 120.0° |
| N9 | C12 | C13 | N14 | 150.7° | 180.0° |
| N9 | C12 | C13 | O15 | 27.0° | 0.0° |
| C12 | N9 | C8 | H42 | 3.7° | 0.4° |
| N9 | C12 | H44 | H43 | 120.6° | 120.0° |
| C12 | C13 | N14 | O15 | 177.8° | 180.0° |
| C12 | C13 | N14 | C22 | 1.4° | 0.0° |
| C12 | C13 | N14 | C23 | 176.0° | 180.0° |
| C13 | C12 | H44 | H43 | 120.6° | 120.0° |
| C13 | N14 | C22 | C23 | 177.4° | 180.0° |
| C13 | N14 | C23 | C24 | 90.8° | 90.0° |
| C13 | N14 | C22 | H55 | 180.0° | 90.0° |
| C13 | N14 | C22 | H54 | 60.0° | 150.0° |
| C13 | N14 | C22 | H56 | 60.0° | 30.0° |
| C13 | N14 | C23 | H57 | 148.5° | 30.0° |
| C13 | N14 | C23 | H58 | 30.0° | 150.0° |
| N14 | C13 | C12 | H44 | 30.9° | 60.0° |
| N14 | C13 | C12 | H43 | 89.5° | 60.0° |
| O15 | C13 | N14 | C22 | 176.4° | 180.0° |
| O15 | C13 | N14 | C23 | 6.2° | 0.0° |
| O15 | C13 | C12 | H44 | 146.8° | 120.0° |
| O15 | C13 | C12 | H43 | 92.8° | 120.0° |
| C22 | N14 | C23 | C24 | 91.7° | 90.0° |
| N14 | C22 | H55 | H54 | 120.0° | 120.0° |
| N14 | C22 | H55 | H56 | 120.0° | 120.0° |
| N14 | C22 | H54 | H56 | 120.0° | 120.0° |
| C22 | N14 | C23 | H57 | 29.0° | 150.0° |
| C22 | N14 | C23 | H58 | 147.6° | 30.0° |
| N14 | C23 | C24 | H57 | 120.7° | 120.0° |
| N14 | C23 | C24 | H58 | 120.8° | 120.1° |
| N14 | C23 | C24 | C25 | 177.0° | 90.1° |
| N14 | C23 | C24 | C29 | 5.8° | 90.2° |
| C23 | N14 | C22 | H55 | 2.6° | 90.0° |
| C23 | N14 | C22 | H54 | 122.6° | 30.0° |
| C23 | N14 | C22 | H56 | 117.4° | 150.0° |
| N14 | C23 | H57 | H58 | 117.7° | 120.0° |
| C17 | C16 | C20 | H45 | 115.5° | 120.0° |
| C16 | C17 | C18 | H46 | 119.6° | 119.9° |
| C16 | C17 | C18 | H47 | 119.6° | 120.0° |
| C16 | C17 | C18 | N21 | 60.0° | 54.7° |
| C17 | C16 | C20 | C19 | 53.4° | 61.3° |
| C16 | C17 | H46 | H47 | 121.1° | 120.1° |
| C16 | C17 | C18 | H48 | 59.8° | 65.2° |
| C16 | C17 | C18 | H49 | 179.9° | 174.5° |
| C17 | C16 | C20 | H53 | 66.8° | 58.6° |
| C17 | C16 | C20 | H52 | 173.6° | 178.7° |
| C20 | C16 | C17 | C18 | 55.9° | 61.3° |
| C16 | C20 | C19 | N21 | 53.7° | 54.6° |
| C16 | C20 | C19 | H53 | 120.2° | 120.0° |
| C16 | C20 | C19 | H52 | 120.2° | 120.0° |
| C20 | C16 | C17 | H46 | 175.5° | 178.7° |
| C20 | C16 | C17 | H47 | 63.7° | 58.6° |
| C16 | C20 | C19 | H50 | 65.9° | 174.4° |
| C16 | C20 | C19 | H51 | 173.4° | 65.2° |
| C16 | C20 | H53 | H52 | 119.4° | 120.0° |
| C17 | C18 | N21 | H48 | 119.8° | 119.8° |
| C17 | C18 | N21 | H49 | 119.8° | 119.8° |
| C17 | C18 | N21 | C19 | 67.7° | 53.6° |
| C17 | C18 | N21 | C32 | 112.7° | 126.4° |
| C18 | C17 | C16 | H45 | 59.9° | 58.6° |
| C18 | C17 | H46 | H47 | 121.1° | 120.1° |
| C17 | C18 | H48 | H49 | 120.6° | 120.3° |
| C18 | N21 | C19 | C32 | 179.7° | 180.0° |
| C18 | N21 | C19 | C20 | 62.3° | 53.5° |
| C18 | N21 | C32 | C33 | 2.3° | 175.0° |
| C18 | N21 | C32 | O34 | 176.9° | 4.9° |
| N21 | C18 | C17 | H46 | 179.7° | 174.6° |
| N21 | C18 | C17 | H47 | 59.6° | 65.3° |
| N21 | C18 | H48 | H49 | 120.6° | 120.4° |
| C18 | N21 | C19 | H50 | 57.4° | 173.4° |
| C18 | N21 | C19 | H51 | 178.1° | 66.2° |
| N21 | C19 | C20 | H50 | 119.7° | 119.8° |
| N21 | C19 | C20 | H51 | 119.6° | 119.8° |
| C19 | N21 | C32 | C33 | 178.1° | 5.0° |
| C19 | N21 | C32 | O34 | 2.7° | 175.1° |
| C19 | N21 | C18 | H48 | 52.1° | 66.2° |
| C19 | N21 | C18 | H49 | 172.5° | 173.4° |
| N21 | C19 | H50 | H51 | 121.0° | 120.4° |
| N21 | C19 | C20 | H53 | 66.5° | 65.4° |
| N21 | C19 | C20 | H52 | 174.0° | 174.6° |
| C20 | C19 | N21 | C32 | 118.0° | 126.4° |
| C19 | C20 | C16 | H45 | 62.1° | 58.7° |
| C20 | C19 | H50 | H51 | 121.0° | 120.3° |
| C19 | C20 | H53 | H52 | 119.4° | 120.1° |
| N21 | C32 | C33 | O34 | 179.2° | 179.9° |
| C32 | N21 | C18 | H48 | 127.5° | 113.8° |
| C32 | N21 | C18 | H49 | 7.2° | 6.6° |
| C32 | N21 | C19 | H50 | 122.3° | 6.6° |
| C32 | N21 | C19 | H51 | 1.6° | 113.8° |
| N21 | C32 | C33 | H64 | 179.2° | 5.4° |
| N21 | C32 | C33 | H62 | 59.2° | 125.5° |
| N21 | C32 | C33 | H63 | 60.8° | 114.6° |
| C23 | C24 | C25 | C29 | 177.3° | 179.7° |
| C23 | C24 | C25 | C26 | 176.1° | 180.0° |
| C23 | C24 | C29 | C28 | 175.5° | 179.8° |
| C24 | C23 | H57 | H58 | 117.7° | 120.0° |
| C23 | C24 | C25 | H59 | 3.9° | 0.2° |
| C23 | C24 | C29 | H61 | 4.5° | 0.0° |
| C24 | C25 | C26 | H59 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.0° | 0.1° |
| C24 | C25 | C26 | O31 | 177.4° | 179.9° |
| C25 | C24 | C29 | C28 | 1.6° | 0.5° |
| C25 | C24 | C23 | H57 | 62.3° | 149.9° |
| C25 | C24 | C23 | H58 | 56.2° | 30.0° |
| C25 | C24 | C29 | H61 | 178.4° | 179.7° |
| C29 | C24 | C25 | C26 | 1.2° | 0.3° |
| C24 | C29 | C28 | C27 | 0.8° | 0.5° |
| C24 | C29 | C28 | H61 | 180.0° | 179.8° |
| C29 | C24 | C23 | H57 | 115.0° | 29.7° |
| C29 | C24 | C23 | H58 | 126.5° | 149.7° |
| C29 | C24 | C25 | H59 | 178.8° | 179.8° |
| C24 | C29 | C28 | H60 | 179.2° | 179.7° |
| C25 | C26 | C27 | O31 | 177.5° | 180.0° |
| C25 | C26 | C27 | C28 | 0.8° | 0.0° |
| C25 | C26 | C27 | CL30 | 179.2° | 180.0° |
| C25 | C26 | O31 | C35 | 79.5° | 0.0° |
| C26 | C27 | C28 | CL30 | 178.5° | 180.0° |
| C26 | C27 | C28 | C29 | 0.3° | 0.2° |
| C27 | C26 | O31 | C35 | 103.1° | 180.0° |
| C27 | C26 | C25 | H59 | 180.0° | 179.9° |
| C26 | C27 | C28 | H60 | 179.7° | 180.0° |
| O31 | C26 | C27 | C28 | 176.7° | 180.0° |
| O31 | C26 | C27 | CL30 | 1.7° | 0.0° |
| C26 | O31 | C35 | F36 | 68.7° | 60.0° |
| C26 | O31 | C35 | F37 | 50.7° | 180.0° |
| C26 | O31 | C35 | F38 | 169.0° | 60.0° |
| O31 | C26 | C25 | H59 | 2.6° | 0.1° |
| C27 | C28 | C29 | H60 | 180.0° | 179.8° |
| C27 | C28 | C29 | H61 | 179.2° | 179.7° |
| CL30 | C27 | C28 | C29 | 178.8° | 179.8° |
| CL30 | C27 | C28 | H60 | 1.2° | 0.0° |
| O31 | C35 | F36 | F37 | 119.3° | 120.0° |
| O31 | C35 | F36 | F38 | 126.4° | 120.0° |
| O31 | C35 | F37 | F38 | 124.6° | 120.0° |
| C32 | C33 | H64 | H62 | 120.0° | 120.0° |
| C32 | C33 | H64 | H63 | 120.0° | 120.0° |
| C32 | C33 | H62 | H63 | 120.0° | 120.0° |
| O34 | C32 | C33 | H64 | 0.0° | 174.7° |
| O34 | C32 | C33 | H62 | 120.0° | 54.6° |
| O34 | C32 | C33 | H63 | 120.0° | 65.3° |
| F36 | C35 | F37 | F38 | 116.6° | 120.0° |
| H45 | C16 | C17 | H46 | 59.7° | 61.3° |
| H45 | C16 | C17 | H47 | 179.5° | 178.6° |
| H45 | C16 | C20 | H53 | 177.7° | 178.6° |
| H45 | C16 | C20 | H52 | 58.1° | 61.4° |
| H46 | C17 | C18 | H48 | 59.9° | 54.7° |
| H46 | C17 | C18 | H49 | 60.5° | 65.6° |
| H47 | C17 | C18 | H48 | 179.4° | 174.9° |
| H47 | C17 | C18 | H49 | 60.3° | 54.5° |
| H50 | C19 | C20 | H53 | 173.9° | 54.5° |
| H50 | C19 | C20 | H52 | 54.3° | 65.6° |
| H51 | C19 | C20 | H53 | 53.2° | 174.8° |
| H51 | C19 | C20 | H52 | 66.4° | 54.8° |
| H55 | C22 | H54 | H56 | 120.0° | 120.0° |
| H60 | C28 | C29 | H61 | 0.8° | 0.1° |
| H39 | C2 | C3 | H40 | 1.2° | 0.0° |
| H64 | C33 | H62 | H63 | 120.0° | 120.0° |
