XH0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | S2 | sing | 1.76Å | 1.77Å | |
| C1 | N33 | doub | 1.29Å | 1.29Å | Aromatic |
| C1 | S40 | sing | 1.71Å | 1.71Å | Aromatic |
| S2 | C3 | sing | 1.81Å | 1.81Å | |
| S2 | O32 | doub | 1.42Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C31 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.50Å | |
| C7 | N8 | sing | 1.47Å | 1.46Å | |
| N8 | C9 | sing | 1.35Å | 1.34Å | |
| N8 | C30 | sing | 1.47Å | 1.47Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | O29 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.53Å | 1.47Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.48Å | |
| C15 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | F17 | sing | 1.40Å | 1.31Å | |
| C16 | F18 | sing | 1.40Å | 1.32Å | |
| C16 | F19 | sing | 1.40Å | 1.30Å | |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C22 | N23 | sing | 1.47Å | 1.43Å | |
| N23 | N24 | sing | 1.29Å | 1.32Å | Aromatic |
| N23 | N28 | sing | 1.29Å | 1.33Å | Aromatic |
| N24 | N25 | doub | 1.29Å | 1.32Å | Aromatic |
| N25 | C26 | sing | 1.33Å | 1.35Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.49Å | |
| C26 | N28 | doub | 1.31Å | 1.33Å | Aromatic |
| C30 | C31 | sing | 1.53Å | 1.49Å | |
| N33 | C34 | sing | 1.32Å | 1.37Å | Aromatic |
| C34 | C35 | doub | 1.34Å | 1.39Å | Aromatic |
| C35 | S36 | sing | 1.76Å | 1.75Å | |
| C35 | S40 | sing | 1.76Å | 1.73Å | Aromatic |
| S36 | O37 | doub | 1.42Å | 1.43Å | |
| S36 | N38 | sing | 1.66Å | 1.57Å | |
| S36 | O39 | doub | 1.42Å | 1.44Å | |
| C10 | H51 | sing | 1.09Å | 1.10Å | |
| C10 | H50 | sing | 1.09Å | 1.10Å | |
| C11 | H52 | sing | 1.09Å | 1.10Å | |
| C11 | H53 | sing | 1.09Å | 1.10Å | |
| C13 | H54 | sing | 1.08Å | 1.08Å | |
| C20 | H56 | sing | 1.08Å | 1.08Å | |
| C22 | H58 | sing | 1.09Å | 1.10Å | |
| C22 | H57 | sing | 1.09Å | 1.10Å | |
| C27 | H59 | sing | 1.09Å | 1.10Å | |
| C27 | H61 | sing | 1.09Å | 1.10Å | |
| C27 | H60 | sing | 1.09Å | 1.10Å | |
| C3 | H41 | sing | 1.09Å | 1.10Å | |
| C3 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H44 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C5 | H45 | sing | 1.09Å | 1.10Å | |
| C6 | H47 | sing | 1.09Å | 1.10Å | |
| C6 | H46 | sing | 1.09Å | 1.10Å | |
| C7 | H48 | sing | 1.09Å | 1.10Å | |
| C7 | H49 | sing | 1.09Å | 1.10Å | |
| C14 | H55 | sing | 1.08Å | 1.08Å | |
| C30 | H63 | sing | 1.09Å | 1.10Å | |
| C30 | H62 | sing | 1.09Å | 1.10Å | |
| C31 | H65 | sing | 1.09Å | 1.10Å | |
| C31 | H64 | sing | 1.09Å | 1.10Å | |
| C34 | H66 | sing | 1.08Å | 1.08Å | |
| N38 | H68 | sing | 0.97Å | 1.00Å | |
| N38 | H67 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S2 | C1 | N33 | 119.1° | 124.9° |
| S2 | C1 | S40 | 122.6° | 124.9° |
| C1 | S2 | C3 | 95.5° | 103.0° |
| C1 | S2 | O32 | 106.5° | 103.0° |
| N33 | C1 | S40 | 118.2° | 110.2° |
| C1 | N33 | C34 | 110.5° | 117.1° |
| C1 | S40 | C35 | 86.6° | 90.3° |
| C3 | S2 | O32 | 107.3° | 109.5° |
| S2 | C3 | C4 | 108.1° | 109.5° |
| S2 | C3 | H41 | 109.8° | 109.4° |
| S2 | C3 | H42 | 109.8° | 109.5° |
| C3 | C4 | C5 | 112.0° | 109.4° |
| C4 | C3 | H41 | 109.8° | 109.5° |
| C4 | C3 | H42 | 109.8° | 109.5° |
| C3 | C4 | H44 | 108.8° | 109.5° |
| C3 | C4 | H43 | 108.9° | 109.4° |
| C4 | C5 | C6 | 109.0° | 109.5° |
| C4 | C5 | C31 | 111.0° | 109.5° |
| C5 | C4 | H44 | 108.9° | 109.5° |
| C5 | C4 | H43 | 108.8° | 109.5° |
| C4 | C5 | H45 | 109.3° | 109.5° |
| C6 | C5 | C31 | 109.6° | 109.5° |
| C5 | C6 | C7 | 111.5° | 109.3° |
| C6 | C5 | H45 | 109.0° | 109.4° |
| C5 | C6 | H47 | 109.0° | 109.5° |
| C5 | C6 | H46 | 109.0° | 109.5° |
| C5 | C31 | C30 | 111.5° | 109.4° |
| C31 | C5 | H45 | 109.0° | 109.5° |
| C5 | C31 | H65 | 109.0° | 109.5° |
| C5 | C31 | H64 | 109.0° | 109.5° |
| C6 | C7 | N8 | 109.5° | 108.8° |
| C7 | C6 | H47 | 109.0° | 109.5° |
| C7 | C6 | H46 | 108.9° | 109.5° |
| C6 | C7 | H48 | 109.5° | 109.6° |
| C6 | C7 | H49 | 109.5° | 109.6° |
| C7 | N8 | C9 | 123.9° | 120.6° |
| C7 | N8 | C30 | 110.1° | 118.7° |
| N8 | C7 | H48 | 109.4° | 109.6° |
| N8 | C7 | H49 | 109.5° | 109.6° |
| C9 | N8 | C30 | 125.7° | 120.6° |
| N8 | C9 | C10 | 116.8° | 120.0° |
| N8 | C9 | O29 | 122.0° | 120.0° |
| N8 | C30 | C31 | 110.4° | 108.8° |
| N8 | C30 | H63 | 109.2° | 109.6° |
| N8 | C30 | H62 | 109.2° | 109.5° |
| C10 | C9 | O29 | 121.2° | 120.0° |
| C9 | C10 | C11 | 112.5° | 109.5° |
| C9 | C10 | H51 | 108.7° | 109.5° |
| C9 | C10 | H50 | 108.7° | 109.5° |
| C10 | C11 | C12 | 113.9° | 109.5° |
| C11 | C10 | H51 | 108.7° | 109.5° |
| C11 | C10 | H50 | 108.7° | 109.5° |
| C10 | C11 | H52 | 108.4° | 109.5° |
| C10 | C11 | H53 | 108.4° | 109.5° |
| C11 | C12 | C13 | 117.0° | 120.0° |
| C11 | C12 | C21 | 123.9° | 120.0° |
| C12 | C11 | H52 | 108.4° | 109.5° |
| C12 | C11 | H53 | 108.3° | 109.5° |
| C13 | C12 | C21 | 119.1° | 119.9° |
| C12 | C13 | C14 | 122.1° | 120.0° |
| C12 | C13 | H54 | 119.0° | 119.9° |
| C12 | C21 | C20 | 118.2° | 120.0° |
| C12 | C21 | C22 | 122.1° | 120.0° |
| C13 | C14 | C15 | 119.7° | 120.0° |
| C14 | C13 | H54 | 119.0° | 120.0° |
| C13 | C14 | H55 | 120.1° | 120.0° |
| C14 | C15 | C16 | 119.7° | 120.0° |
| C14 | C15 | C20 | 118.8° | 120.0° |
| C15 | C14 | H55 | 120.1° | 120.0° |
| C16 | C15 | C20 | 121.3° | 120.0° |
| C15 | C16 | F17 | 113.2° | 109.5° |
| C15 | C16 | F18 | 110.1° | 109.5° |
| C15 | C16 | F19 | 113.1° | 109.5° |
| C15 | C20 | C21 | 122.0° | 120.0° |
| C15 | C20 | H56 | 119.0° | 120.0° |
| F17 | C16 | F18 | 103.4° | 109.4° |
| F17 | C16 | F19 | 108.7° | 109.5° |
| F18 | C16 | F19 | 107.7° | 109.5° |
| C20 | C21 | C22 | 119.5° | 120.0° |
| C21 | C20 | H56 | 119.0° | 120.0° |
| C21 | C22 | N23 | 112.4° | 109.5° |
| C21 | C22 | H58 | 108.7° | 109.5° |
| C21 | C22 | H57 | 108.7° | 109.5° |
| C22 | N23 | N24 | 124.5° | 125.4° |
| C22 | N23 | N28 | 121.4° | 125.5° |
| N23 | C22 | H58 | 108.7° | 109.5° |
| N23 | C22 | H57 | 108.7° | 109.5° |
| N24 | N23 | N28 | 114.1° | 109.1° |
| N23 | N24 | N25 | 105.9° | 108.7° |
| N23 | N28 | C26 | 101.3° | 107.9° |
| N24 | N25 | C26 | 106.1° | 107.4° |
| N25 | C26 | C27 | 125.1° | 126.5° |
| N25 | C26 | N28 | 112.6° | 106.9° |
| C27 | C26 | N28 | 122.3° | 126.6° |
| C26 | C27 | H59 | 109.5° | 109.5° |
| C26 | C27 | H61 | 109.5° | 109.5° |
| C26 | C27 | H60 | 109.5° | 109.4° |
| C31 | C30 | H63 | 109.3° | 109.6° |
| C31 | C30 | H62 | 109.3° | 109.6° |
| C30 | C31 | H65 | 109.0° | 109.5° |
| C30 | C31 | H64 | 109.0° | 109.5° |
| N33 | C34 | C35 | 112.5° | 114.5° |
| N33 | C34 | H66 | 123.8° | 122.8° |
| C34 | C35 | S36 | 122.1° | 126.0° |
| C34 | C35 | S40 | 112.0° | 107.9° |
| C35 | C34 | H66 | 123.7° | 122.7° |
| S36 | C35 | S40 | 125.8° | 126.0° |
| C35 | S36 | O37 | 109.5° | 106.4° |
| C35 | S36 | N38 | 97.3° | 107.2° |
| C35 | S36 | O39 | 106.1° | 106.4° |
| O37 | S36 | N38 | 108.7° | 106.4° |
| O37 | S36 | O39 | 121.0° | 123.1° |
| N38 | S36 | O39 | 111.6° | 106.4° |
| S36 | N38 | H68 | 109.5° | 120.0° |
| S36 | N38 | H67 | 109.5° | 120.0° |
| H51 | C10 | H50 | 109.5° | 109.5° |
| H52 | C11 | H53 | 109.5° | 109.5° |
| H58 | C22 | H57 | 109.5° | 109.4° |
| H59 | C27 | H61 | 109.5° | 109.5° |
| H59 | C27 | H60 | 109.5° | 109.4° |
| H61 | C27 | H60 | 109.4° | 109.5° |
| H41 | C3 | H42 | 109.4° | 109.5° |
| H44 | C4 | H43 | 109.5° | 109.5° |
| H47 | C6 | H46 | 109.5° | 109.5° |
| H48 | C7 | H49 | 109.5° | 109.7° |
| H63 | C30 | H62 | 109.4° | 109.8° |
| H65 | C31 | H64 | 109.5° | 109.5° |
| H68 | N38 | H67 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S2 | C1 | N33 | S40 | 179.7° | 179.8° |
| C1 | S2 | C3 | O32 | 109.1° | 109.1° |
| C1 | S2 | C3 | C4 | 124.5° | 180.0° |
| S2 | C1 | N33 | C34 | 179.3° | 179.9° |
| S2 | C1 | S40 | C35 | 177.3° | 179.9° |
| C1 | S2 | C3 | H41 | 115.7° | 60.0° |
| C1 | S2 | C3 | H42 | 4.7° | 60.0° |
| N33 | C1 | S2 | C3 | 51.7° | 90.0° |
| N33 | C1 | S2 | O32 | 161.6° | 156.2° |
| C1 | N33 | C34 | C35 | 2.5° | 0.1° |
| N33 | C1 | S40 | C35 | 2.5° | 0.2° |
| C1 | N33 | C34 | H66 | 177.5° | 180.0° |
| S40 | C1 | S2 | C3 | 128.6° | 90.3° |
| S40 | C1 | S2 | O32 | 18.7° | 23.6° |
| S40 | C1 | N33 | C34 | 0.5° | 0.1° |
| C1 | S40 | C35 | C34 | 3.7° | 0.3° |
| C1 | S40 | C35 | S36 | 179.5° | 180.0° |
| S2 | C3 | C4 | H41 | 119.8° | 120.0° |
| S2 | C3 | C4 | H42 | 119.8° | 120.0° |
| S2 | C3 | C4 | C5 | 167.4° | 180.0° |
| S2 | C3 | H41 | H42 | 120.6° | 120.0° |
| S2 | C3 | C4 | H44 | 72.2° | 60.0° |
| S2 | C3 | C4 | H43 | 47.1° | 60.0° |
| O32 | S2 | C3 | C4 | 15.3° | 70.9° |
| O32 | S2 | C3 | H41 | 135.1° | 169.1° |
| O32 | S2 | C3 | H42 | 104.5° | 49.1° |
| C3 | C4 | C5 | H44 | 120.4° | 120.0° |
| C3 | C4 | C5 | H43 | 120.4° | 119.9° |
| C3 | C4 | C5 | C6 | 148.2° | 175.0° |
| C3 | C4 | C5 | C31 | 91.0° | 65.0° |
| C4 | C3 | H41 | H42 | 120.6° | 120.1° |
| C3 | C4 | H44 | H43 | 118.9° | 120.0° |
| C3 | C4 | C5 | H45 | 29.2° | 55.0° |
| C4 | C5 | C6 | C31 | 121.7° | 120.0° |
| C4 | C5 | C6 | H45 | 119.2° | 120.0° |
| C4 | C5 | C31 | H45 | 120.3° | 120.1° |
| C4 | C5 | C6 | C7 | 174.5° | 178.6° |
| C4 | C5 | C31 | C30 | 172.4° | 178.6° |
| C5 | C4 | C3 | H41 | 47.6° | 60.0° |
| C5 | C4 | C3 | H42 | 72.8° | 60.0° |
| C5 | C4 | H44 | H43 | 118.8° | 120.1° |
| C4 | C5 | C6 | H47 | 54.2° | 61.4° |
| C4 | C5 | C6 | H46 | 65.2° | 58.7° |
| C4 | C5 | C31 | H65 | 67.3° | 58.7° |
| C4 | C5 | C31 | H64 | 52.1° | 61.4° |
| C6 | C5 | C31 | H45 | 119.2° | 119.9° |
| C5 | C6 | C7 | H47 | 120.3° | 120.0° |
| C5 | C6 | C7 | H46 | 120.3° | 120.0° |
| C5 | C6 | C7 | N8 | 58.4° | 54.7° |
| C6 | C5 | C31 | C30 | 51.9° | 61.4° |
| C6 | C5 | C4 | H44 | 91.5° | 65.0° |
| C6 | C5 | C4 | H43 | 27.8° | 55.1° |
| C5 | C6 | H47 | H46 | 119.1° | 120.1° |
| C5 | C6 | C7 | H48 | 178.4° | 174.4° |
| C5 | C6 | C7 | H49 | 61.6° | 65.1° |
| C6 | C5 | C31 | H65 | 172.2° | 178.7° |
| C6 | C5 | C31 | H64 | 68.4° | 58.6° |
| C31 | C5 | C6 | C7 | 52.8° | 61.4° |
| C5 | C31 | C30 | N8 | 56.8° | 54.6° |
| C5 | C31 | C30 | H65 | 120.3° | 120.0° |
| C5 | C31 | C30 | H64 | 120.3° | 120.0° |
| C31 | C5 | C4 | H44 | 29.4° | 55.0° |
| C31 | C5 | C4 | H43 | 148.6° | 175.1° |
| C31 | C5 | C6 | H47 | 67.5° | 58.6° |
| C31 | C5 | C6 | H46 | 173.1° | 178.7° |
| C5 | C31 | C30 | H63 | 177.0° | 174.4° |
| C5 | C31 | C30 | H62 | 63.3° | 65.1° |
| C5 | C31 | H65 | H64 | 119.1° | 120.0° |
| C6 | C7 | N8 | H48 | 120.0° | 119.8° |
| C6 | C7 | N8 | H49 | 120.0° | 119.8° |
| C6 | C7 | N8 | C9 | 124.2° | 126.4° |
| C6 | C7 | N8 | C30 | 62.3° | 53.6° |
| C7 | C6 | C5 | H45 | 66.4° | 58.6° |
| C7 | C6 | H47 | H46 | 119.1° | 120.0° |
| C6 | C7 | H48 | H49 | 120.0° | 120.3° |
| C7 | N8 | C9 | C30 | 172.5° | 180.0° |
| C7 | N8 | C9 | C10 | 177.0° | 180.0° |
| C7 | N8 | C9 | O29 | 5.0° | 0.0° |
| C7 | N8 | C30 | C31 | 61.9° | 53.6° |
| N8 | C7 | C6 | H47 | 61.9° | 65.3° |
| N8 | C7 | C6 | H46 | 178.7° | 174.6° |
| N8 | C7 | H48 | H49 | 120.0° | 120.4° |
| C7 | N8 | C30 | H63 | 177.9° | 173.4° |
| C7 | N8 | C30 | H62 | 58.2° | 66.2° |
| N8 | C9 | C10 | O29 | 178.0° | 180.0° |
| N8 | C9 | C10 | C11 | 147.8° | 180.0° |
| C9 | N8 | C30 | C31 | 124.7° | 126.4° |
| N8 | C9 | C10 | H51 | 27.3° | 60.0° |
| N8 | C9 | C10 | H50 | 91.7° | 60.0° |
| C9 | N8 | C7 | H48 | 4.2° | 6.6° |
| C9 | N8 | C7 | H49 | 115.8° | 113.8° |
| C9 | N8 | C30 | H63 | 4.5° | 6.6° |
| C9 | N8 | C30 | H62 | 115.2° | 113.8° |
| C30 | N8 | C9 | C10 | 4.5° | 0.0° |
| C30 | N8 | C9 | O29 | 177.5° | 180.0° |
| N8 | C30 | C31 | H63 | 120.1° | 119.8° |
| N8 | C30 | C31 | H62 | 120.2° | 119.7° |
| C30 | N8 | C7 | H48 | 177.7° | 173.3° |
| C30 | N8 | C7 | H49 | 57.7° | 66.2° |
| N8 | C30 | H63 | H62 | 119.5° | 120.3° |
| N8 | C30 | C31 | H65 | 177.1° | 174.6° |
| N8 | C30 | C31 | H64 | 63.5° | 65.3° |
| C9 | C10 | C11 | H51 | 120.5° | 120.0° |
| C9 | C10 | C11 | H50 | 120.5° | 120.0° |
| C9 | C10 | C11 | C12 | 175.1° | 180.0° |
| C9 | C10 | H51 | H50 | 118.6° | 120.0° |
| C9 | C10 | C11 | H52 | 64.2° | 60.0° |
| C9 | C10 | C11 | H53 | 54.5° | 60.0° |
| O29 | C9 | C10 | C11 | 34.2° | 0.0° |
| O29 | C9 | C10 | H51 | 154.7° | 119.9° |
| O29 | C9 | C10 | H50 | 86.2° | 120.1° |
| C10 | C11 | C12 | H52 | 120.7° | 120.0° |
| C10 | C11 | C12 | H53 | 120.6° | 120.0° |
| C10 | C11 | C12 | C13 | 89.7° | 95.0° |
| C10 | C11 | C12 | C21 | 92.4° | 85.0° |
| C11 | C10 | H51 | H50 | 118.6° | 120.0° |
| C10 | C11 | H52 | H53 | 118.0° | 120.0° |
| C11 | C12 | C13 | C21 | 178.0° | 180.0° |
| C11 | C12 | C13 | C14 | 177.4° | 180.0° |
| C11 | C12 | C21 | C20 | 176.3° | 179.5° |
| C11 | C12 | C21 | C22 | 1.5° | 0.3° |
| C12 | C11 | C10 | H51 | 54.6° | 60.0° |
| C12 | C11 | C10 | H50 | 64.4° | 60.0° |
| C12 | C11 | H52 | H53 | 118.0° | 120.0° |
| C11 | C12 | C13 | H54 | 2.6° | 0.3° |
| C12 | C13 | C14 | H54 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.9° | 0.3° |
| C13 | C12 | C21 | C20 | 1.6° | 0.6° |
| C13 | C12 | C21 | C22 | 176.4° | 179.7° |
| C13 | C12 | C11 | H52 | 30.9° | 145.0° |
| C13 | C12 | C11 | H53 | 149.6° | 25.0° |
| C12 | C13 | C14 | H55 | 179.2° | 179.7° |
| C21 | C12 | C13 | C14 | 0.6° | 0.0° |
| C12 | C21 | C20 | C15 | 3.0° | 0.8° |
| C12 | C21 | C20 | C22 | 174.9° | 179.1° |
| C12 | C21 | C22 | N23 | 114.3° | 85.8° |
| C21 | C12 | C11 | H52 | 147.0° | 35.0° |
| C21 | C12 | C11 | H53 | 28.3° | 155.0° |
| C21 | C12 | C13 | H54 | 179.4° | 179.7° |
| C12 | C21 | C20 | H56 | 177.0° | 179.7° |
| C12 | C21 | C22 | H58 | 125.3° | 154.1° |
| C12 | C21 | C22 | H57 | 6.1° | 34.2° |
| C13 | C14 | C15 | H55 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 178.1° | 180.0° |
| C13 | C14 | C15 | C20 | 2.2° | 0.1° |
| C14 | C15 | C16 | C20 | 175.8° | 180.0° |
| C14 | C15 | C16 | F17 | 44.9° | 90.0° |
| C14 | C15 | C16 | F18 | 70.3° | 30.0° |
| C14 | C15 | C16 | F19 | 169.2° | 150.0° |
| C14 | C15 | C20 | C21 | 3.3° | 0.5° |
| C15 | C14 | C13 | H54 | 179.1° | 180.0° |
| C14 | C15 | C20 | H56 | 176.7° | 180.0° |
| C15 | C16 | F17 | F18 | 119.1° | 120.0° |
| C15 | C16 | F17 | F19 | 126.6° | 120.0° |
| C15 | C16 | F18 | F19 | 123.7° | 120.0° |
| C16 | C15 | C20 | C21 | 179.1° | 179.5° |
| C16 | C15 | C20 | H56 | 0.9° | 0.0° |
| C16 | C15 | C14 | H55 | 2.0° | 0.0° |
| C20 | C15 | C16 | F17 | 139.3° | 90.0° |
| C20 | C15 | C16 | F18 | 105.5° | 150.0° |
| C20 | C15 | C16 | F19 | 15.0° | 30.0° |
| C15 | C20 | C21 | H56 | 180.0° | 179.5° |
| C15 | C20 | C21 | C22 | 177.9° | 180.0° |
| C20 | C15 | C14 | H55 | 177.9° | 180.0° |
| F17 | C16 | F18 | F19 | 115.0° | 120.0° |
| C20 | C21 | C22 | N23 | 71.0° | 95.0° |
| C20 | C21 | C22 | H58 | 49.5° | 25.0° |
| C20 | C21 | C22 | H57 | 168.6° | 145.0° |
| C21 | C22 | N23 | H58 | 120.4° | 120.1° |
| C21 | C22 | N23 | H57 | 120.4° | 120.0° |
| C21 | C22 | N23 | N24 | 96.7° | 90.0° |
| C21 | C22 | N23 | N28 | 84.6° | 90.0° |
| C22 | C21 | C20 | H56 | 2.1° | 0.5° |
| C21 | C22 | H58 | H57 | 118.7° | 120.0° |
| C22 | N23 | N24 | N28 | 178.8° | 179.9° |
| C22 | N23 | N24 | N25 | 179.6° | 180.0° |
| C22 | N23 | N28 | C26 | 179.4° | 179.8° |
| N23 | C22 | H58 | H57 | 118.6° | 120.0° |
| N23 | N24 | N25 | C26 | 1.9° | 0.2° |
| N24 | N23 | N28 | C26 | 0.6° | 0.2° |
| N24 | N23 | C22 | H58 | 23.8° | 30.0° |
| N24 | N23 | C22 | H57 | 142.9° | 150.0° |
| N28 | N23 | N24 | N25 | 1.6° | 0.0° |
| N23 | N28 | C26 | N25 | 0.7° | 0.3° |
| N23 | N28 | C26 | C27 | 179.9° | 179.9° |
| N28 | N23 | C22 | H58 | 154.9° | 149.9° |
| N28 | N23 | C22 | H57 | 35.8° | 30.0° |
| N24 | N25 | C26 | C27 | 179.1° | 180.0° |
| N24 | N25 | C26 | N28 | 1.7° | 0.3° |
| N25 | C26 | C27 | N28 | 179.1° | 179.6° |
| N25 | C26 | C27 | H59 | 0.0° | 89.7° |
| N25 | C26 | C27 | H61 | 120.0° | 30.4° |
| N25 | C26 | C27 | H60 | 120.0° | 150.4° |
| C26 | C27 | H59 | H61 | 120.0° | 120.0° |
| C26 | C27 | H59 | H60 | 120.0° | 119.9° |
| C26 | C27 | H61 | H60 | 120.0° | 120.0° |
| N28 | C26 | C27 | H59 | 179.1° | 89.9° |
| N28 | C26 | C27 | H61 | 60.9° | 150.0° |
| N28 | C26 | C27 | H60 | 59.1° | 30.0° |
| C30 | C31 | C5 | H45 | 67.2° | 58.6° |
| C31 | C30 | H63 | H62 | 119.6° | 120.4° |
| C30 | C31 | H65 | H64 | 119.1° | 120.1° |
| N33 | C34 | C35 | H66 | 180.0° | 179.8° |
| N33 | C34 | C35 | S36 | 178.7° | 180.0° |
| N33 | C34 | C35 | S40 | 4.3° | 0.3° |
| C34 | C35 | S36 | S40 | 176.5° | 179.7° |
| C34 | C35 | S36 | O37 | 101.1° | 23.6° |
| C34 | C35 | S36 | N38 | 146.0° | 90.0° |
| C34 | C35 | S36 | O39 | 31.0° | 156.5° |
| C35 | S36 | O37 | N38 | 105.2° | 114.1° |
| C35 | S36 | O37 | O39 | 123.7° | 122.9° |
| C35 | S36 | N38 | O39 | 110.6° | 113.6° |
| S36 | C35 | C34 | H66 | 1.3° | 0.1° |
| C35 | S36 | N38 | H68 | 180.0° | 150.0° |
| C35 | S36 | N38 | H67 | 60.0° | 30.0° |
| S40 | C35 | S36 | O37 | 82.4° | 156.7° |
| S40 | C35 | S36 | N38 | 30.5° | 89.7° |
| S40 | C35 | S36 | O39 | 145.5° | 23.8° |
| S40 | C35 | C34 | H66 | 175.7° | 179.9° |
| O37 | S36 | N38 | O39 | 136.0° | 132.9° |
| O37 | S36 | N38 | H68 | 66.5° | 96.4° |
| O37 | S36 | N38 | H67 | 53.5° | 83.5° |
| S36 | N38 | H68 | H67 | 120.0° | 179.9° |
| O39 | S36 | N38 | H68 | 69.4° | 36.5° |
| O39 | S36 | N38 | H67 | 170.5° | 143.6° |
| H51 | C10 | C11 | H52 | 175.3° | 60.0° |
| H51 | C10 | C11 | H53 | 66.0° | 180.0° |
| H50 | C10 | C11 | H52 | 56.2° | 180.0° |
| H50 | C10 | C11 | H53 | 174.9° | 60.0° |
| H54 | C13 | C14 | H55 | 0.9° | 0.1° |
| H59 | C27 | H61 | H60 | 120.0° | 120.0° |
| H41 | C3 | C4 | H44 | 168.0° | 180.0° |
| H41 | C3 | C4 | H43 | 72.7° | 59.9° |
| H42 | C3 | C4 | H44 | 47.6° | 60.0° |
| H42 | C3 | C4 | H43 | 166.9° | 180.0° |
| H44 | C4 | C5 | H45 | 149.6° | 175.0° |
| H43 | C4 | C5 | H45 | 91.2° | 64.9° |
| H45 | C5 | C6 | H47 | 173.3° | 178.6° |
| H45 | C5 | C6 | H46 | 53.9° | 61.3° |
| H45 | C5 | C31 | H65 | 53.0° | 61.4° |
| H45 | C5 | C31 | H64 | 172.4° | 178.6° |
| H47 | C6 | C7 | H48 | 58.1° | 54.4° |
| H47 | C6 | C7 | H49 | 178.1° | 174.9° |
| H46 | C6 | C7 | H48 | 61.3° | 65.6° |
| H46 | C6 | C7 | H49 | 58.7° | 54.8° |
| H63 | C30 | C31 | H65 | 62.7° | 65.6° |
| H63 | C30 | C31 | H64 | 56.6° | 54.5° |
| H62 | C30 | C31 | H65 | 57.0° | 54.9° |
| H62 | C30 | C31 | H64 | 176.3° | 175.0° |
