XET
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C4 | sing | 1.51Å | 1.53Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C15 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | O10 | sing | 1.36Å | 1.36Å | |
| O10 | C11 | sing | 1.43Å | 1.33Å | |
| C11 | F12 | sing | 1.40Å | 1.32Å | |
| C11 | F13 | sing | 1.40Å | 1.29Å | |
| C11 | F14 | sing | 1.40Å | 1.30Å | |
| C15 | N16 | sing | 1.46Å | 1.45Å | |
| N16 | C17 | sing | 1.38Å | 1.34Å | |
| C17 | N18 | doub | 1.33Å | 1.35Å | Aromatic |
| C17 | N22 | sing | 1.33Å | 1.34Å | Aromatic |
| N18 | C19 | sing | 1.32Å | 1.34Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C23 | sing | 1.48Å | 1.49Å | |
| C21 | N22 | doub | 1.32Å | 1.34Å | Aromatic |
| C23 | O24 | doub | 1.22Å | 1.21Å | |
| C23 | N25 | sing | 1.35Å | 1.35Å | |
| N25 | C26 | sing | 1.48Å | 1.48Å | |
| N25 | C28 | sing | 1.46Å | 1.49Å | |
| C26 | C27 | sing | 1.54Å | 1.54Å | |
| C27 | C28 | sing | 1.53Å | 1.49Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C28 | C31 | sing | 1.53Å | 1.55Å | |
| C29 | N30 | sing | 1.48Å | 1.49Å | |
| N30 | C31 | sing | 1.48Å | 1.49Å | |
| N30 | S32 | sing | 1.66Å | 1.63Å | |
| S32 | O33 | doub | 1.42Å | 1.43Å | |
| S32 | O34 | doub | 1.42Å | 1.43Å | |
| S32 | C35 | sing | 1.81Å | 1.75Å | |
| C15 | H47 | sing | 1.09Å | 1.10Å | |
| C15 | H46 | sing | 1.09Å | 1.10Å | |
| C19 | H49 | sing | 1.08Å | 1.08Å | |
| C21 | H50 | sing | 1.08Å | 1.08Å | |
| C26 | H51 | sing | 1.09Å | 1.10Å | |
| C26 | H52 | sing | 1.09Å | 1.10Å | |
| C27 | H53 | sing | 1.09Å | 1.10Å | |
| C27 | H54 | sing | 1.09Å | 1.10Å | |
| C1 | H36 | sing | 1.09Å | 1.10Å | |
| C1 | H38 | sing | 1.09Å | 1.10Å | |
| C1 | H37 | sing | 1.09Å | 1.10Å | |
| C2 | H39 | sing | 1.09Å | 1.10Å | |
| C3 | H42 | sing | 1.09Å | 1.10Å | |
| C3 | H41 | sing | 1.09Å | 1.10Å | |
| C3 | H40 | sing | 1.09Å | 1.10Å | |
| C5 | H43 | sing | 1.08Å | 1.08Å | |
| C7 | H44 | sing | 1.08Å | 1.08Å | |
| C9 | H45 | sing | 1.08Å | 1.08Å | |
| N16 | H48 | sing | 0.97Å | 1.00Å | |
| C29 | H56 | sing | 1.09Å | 1.10Å | |
| C29 | H55 | sing | 1.09Å | 1.10Å | |
| C31 | H58 | sing | 1.09Å | 1.10Å | |
| C31 | H57 | sing | 1.09Å | 1.10Å | |
| C35 | H60 | sing | 1.09Å | 1.10Å | |
| C35 | H59 | sing | 1.09Å | 1.10Å | |
| C35 | H61 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 111.2° | 109.5° |
| C1 | C2 | C4 | 114.8° | 109.5° |
| C2 | C1 | H36 | 109.5° | 109.5° |
| C2 | C1 | H38 | 109.5° | 109.5° |
| C2 | C1 | H37 | 109.5° | 109.4° |
| C1 | C2 | H39 | 106.2° | 109.5° |
| C3 | C2 | C4 | 111.7° | 109.4° |
| C3 | C2 | H39 | 106.2° | 109.4° |
| C2 | C3 | H42 | 109.5° | 109.5° |
| C2 | C3 | H41 | 109.5° | 109.5° |
| C2 | C3 | H40 | 109.5° | 109.5° |
| C2 | C4 | C5 | 122.7° | 120.0° |
| C2 | C4 | C9 | 119.4° | 119.9° |
| C4 | C2 | H39 | 106.1° | 109.5° |
| C5 | C4 | C9 | 117.8° | 120.1° |
| C4 | C5 | C6 | 122.0° | 120.1° |
| C4 | C5 | H43 | 119.0° | 119.9° |
| C4 | C9 | C8 | 120.2° | 119.9° |
| C4 | C9 | H45 | 119.9° | 120.0° |
| C5 | C6 | C7 | 119.1° | 120.0° |
| C5 | C6 | C15 | 119.7° | 120.0° |
| C6 | C5 | H43 | 119.0° | 120.0° |
| C7 | C6 | C15 | 121.1° | 120.0° |
| C6 | C7 | C8 | 119.1° | 119.9° |
| C6 | C7 | H44 | 120.5° | 120.0° |
| C6 | C15 | N16 | 119.0° | 109.5° |
| C6 | C15 | H47 | 107.0° | 109.4° |
| C6 | C15 | H46 | 107.0° | 109.5° |
| C7 | C8 | C9 | 121.6° | 119.9° |
| C7 | C8 | O10 | 117.7° | 120.0° |
| C8 | C7 | H44 | 120.4° | 120.0° |
| C9 | C8 | O10 | 120.7° | 120.1° |
| C8 | C9 | H45 | 119.9° | 120.0° |
| C8 | O10 | C11 | 118.0° | 117.0° |
| O10 | C11 | F12 | 111.5° | 109.4° |
| O10 | C11 | F13 | 111.0° | 109.5° |
| O10 | C11 | F14 | 113.5° | 109.5° |
| F12 | C11 | F13 | 109.5° | 109.5° |
| F12 | C11 | F14 | 106.6° | 109.5° |
| F13 | C11 | F14 | 104.4° | 109.5° |
| C15 | N16 | C17 | 123.7° | 120.0° |
| N16 | C15 | H47 | 107.0° | 109.4° |
| N16 | C15 | H46 | 107.0° | 109.5° |
| C15 | N16 | H48 | 105.8° | 120.0° |
| N16 | C17 | N18 | 116.8° | 119.1° |
| N16 | C17 | N22 | 116.7° | 119.0° |
| C17 | N16 | H48 | 105.8° | 119.9° |
| N18 | C17 | N22 | 126.5° | 121.9° |
| C17 | N18 | C19 | 115.4° | 120.9° |
| C17 | N22 | C21 | 115.7° | 120.9° |
| N18 | C19 | C20 | 123.7° | 119.0° |
| N18 | C19 | H49 | 118.1° | 120.5° |
| C19 | C20 | C21 | 115.0° | 118.2° |
| C19 | C20 | C23 | 117.6° | 120.9° |
| C20 | C19 | H49 | 118.1° | 120.4° |
| C21 | C20 | C23 | 127.3° | 120.9° |
| C20 | C21 | N22 | 123.7° | 119.0° |
| C20 | C21 | H50 | 118.2° | 120.5° |
| C20 | C23 | O24 | 119.5° | 120.0° |
| C20 | C23 | N25 | 119.4° | 120.0° |
| N22 | C21 | H50 | 118.2° | 120.5° |
| O24 | C23 | N25 | 121.2° | 120.0° |
| C23 | N25 | C26 | 138.8° | 134.7° |
| C23 | N25 | C28 | 127.3° | 134.7° |
| C26 | N25 | C28 | 91.9° | 90.5° |
| N25 | C26 | C27 | 88.5° | 86.4° |
| N25 | C26 | H51 | 114.4° | 113.6° |
| N25 | C26 | H52 | 114.4° | 113.8° |
| N25 | C28 | C27 | 90.0° | 87.4° |
| N25 | C28 | C29 | 121.5° | 121.5° |
| N25 | C28 | C31 | 119.6° | 121.6° |
| C26 | C27 | C28 | 89.3° | 85.9° |
| C27 | C26 | H51 | 114.5° | 113.8° |
| C27 | C26 | H52 | 114.4° | 113.8° |
| C26 | C27 | H53 | 114.2° | 113.8° |
| C26 | C27 | H54 | 114.3° | 113.8° |
| C27 | C28 | C29 | 121.4° | 121.4° |
| C27 | C28 | C31 | 119.7° | 121.5° |
| C28 | C27 | H53 | 114.2° | 113.8° |
| C28 | C27 | H54 | 114.3° | 113.8° |
| C29 | C28 | C31 | 88.2° | 87.5° |
| C28 | C29 | N30 | 88.7° | 85.7° |
| C28 | C29 | H56 | 114.4° | 113.9° |
| C28 | C29 | H55 | 114.4° | 113.8° |
| C28 | C31 | N30 | 88.7° | 85.7° |
| C28 | C31 | H58 | 114.4° | 113.8° |
| C28 | C31 | H57 | 114.4° | 113.8° |
| C29 | N30 | C31 | 92.9° | 91.3° |
| C29 | N30 | S32 | 126.1° | 134.4° |
| N30 | C29 | H56 | 114.4° | 113.9° |
| N30 | C29 | H55 | 114.4° | 113.8° |
| C31 | N30 | S32 | 124.2° | 134.3° |
| N30 | C31 | H58 | 114.4° | 113.8° |
| N30 | C31 | H57 | 114.4° | 113.9° |
| N30 | S32 | O33 | 106.2° | 104.3° |
| N30 | S32 | O34 | 106.9° | 104.3° |
| N30 | S32 | C35 | 107.5° | 104.4° |
| O33 | S32 | O34 | 119.3° | 121.0° |
| O33 | S32 | C35 | 108.5° | 110.5° |
| O34 | S32 | C35 | 108.0° | 110.6° |
| S32 | C35 | H60 | 109.5° | 109.5° |
| S32 | C35 | H59 | 109.5° | 109.4° |
| S32 | C35 | H61 | 109.5° | 109.5° |
| H47 | C15 | H46 | 109.5° | 109.5° |
| H51 | C26 | H52 | 109.5° | 112.9° |
| H53 | C27 | H54 | 109.5° | 113.1° |
| H36 | C1 | H38 | 109.5° | 109.5° |
| H36 | C1 | H37 | 109.4° | 109.4° |
| H38 | C1 | H37 | 109.5° | 109.4° |
| H42 | C3 | H41 | 109.5° | 109.5° |
| H42 | C3 | H40 | 109.4° | 109.4° |
| H41 | C3 | H40 | 109.5° | 109.4° |
| H56 | C29 | H55 | 109.5° | 113.1° |
| H58 | C31 | H57 | 109.4° | 113.1° |
| H60 | C35 | H59 | 109.5° | 109.5° |
| H60 | C35 | H61 | 109.5° | 109.5° |
| H59 | C35 | H61 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C4 | 129.7° | 120.0° |
| C1 | C2 | C3 | H39 | 115.1° | 120.0° |
| C1 | C2 | C4 | H39 | 116.9° | 120.1° |
| C1 | C2 | C4 | C5 | 28.5° | 120.0° |
| C1 | C2 | C4 | C9 | 151.1° | 60.2° |
| C2 | C1 | H36 | H38 | 120.0° | 120.1° |
| C2 | C1 | H36 | H37 | 120.0° | 119.9° |
| C2 | C1 | H38 | H37 | 120.0° | 120.0° |
| C1 | C2 | C3 | H42 | 180.0° | 60.0° |
| C1 | C2 | C3 | H41 | 60.0° | 179.9° |
| C1 | C2 | C3 | H40 | 60.0° | 60.0° |
| C3 | C2 | C4 | H39 | 115.3° | 119.9° |
| C3 | C2 | C4 | C5 | 99.3° | 120.0° |
| C3 | C2 | C4 | C9 | 81.1° | 59.8° |
| C3 | C2 | C1 | H36 | 180.0° | 60.1° |
| C3 | C2 | C1 | H38 | 60.0° | 60.0° |
| C3 | C2 | C1 | H37 | 60.0° | 180.0° |
| C2 | C3 | H42 | H41 | 120.0° | 120.1° |
| C2 | C3 | H42 | H40 | 120.0° | 120.0° |
| C2 | C3 | H41 | H40 | 120.0° | 120.0° |
| C2 | C4 | C5 | C9 | 179.6° | 179.8° |
| C2 | C4 | C5 | C6 | 179.7° | 179.9° |
| C2 | C4 | C9 | C8 | 177.8° | 179.7° |
| C4 | C2 | C1 | H36 | 52.0° | 59.9° |
| C4 | C2 | C1 | H38 | 68.0° | 180.0° |
| C4 | C2 | C1 | H37 | 172.0° | 60.0° |
| C4 | C2 | C3 | H42 | 50.3° | 60.1° |
| C4 | C2 | C3 | H41 | 170.3° | 60.0° |
| C4 | C2 | C3 | H40 | 69.7° | 180.0° |
| C2 | C4 | C5 | H43 | 0.3° | 0.0° |
| C2 | C4 | C9 | H45 | 2.2° | 0.1° |
| C4 | C5 | C6 | H43 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 3.4° | 0.1° |
| C4 | C5 | C6 | C15 | 179.6° | 180.0° |
| C5 | C4 | C9 | C8 | 1.8° | 0.5° |
| C5 | C4 | C2 | H39 | 145.5° | 0.0° |
| C5 | C4 | C9 | H45 | 178.2° | 179.7° |
| C9 | C4 | C5 | C6 | 0.0° | 0.3° |
| C4 | C9 | C8 | C7 | 0.3° | 0.5° |
| C4 | C9 | C8 | H45 | 180.0° | 179.8° |
| C4 | C9 | C8 | O10 | 179.9° | 179.7° |
| C9 | C4 | C2 | H39 | 34.2° | 179.7° |
| C9 | C4 | C5 | H43 | 179.9° | 179.8° |
| C5 | C6 | C7 | C15 | 176.1° | 179.9° |
| C5 | C6 | C7 | C8 | 4.8° | 0.1° |
| C5 | C6 | C15 | N16 | 174.1° | 90.0° |
| C5 | C6 | C15 | H47 | 52.7° | 150.0° |
| C5 | C6 | C15 | H46 | 64.6° | 30.0° |
| C5 | C6 | C7 | H44 | 175.2° | 180.0° |
| C6 | C7 | C8 | H44 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 3.1° | 0.3° |
| C6 | C7 | C8 | O10 | 176.5° | 179.9° |
| C7 | C6 | C15 | N16 | 9.8° | 89.9° |
| C7 | C6 | C15 | H47 | 131.2° | 30.1° |
| C7 | C6 | C15 | H46 | 111.5° | 150.0° |
| C7 | C6 | C5 | H43 | 176.6° | 180.0° |
| C15 | C6 | C7 | C8 | 179.0° | 180.0° |
| C6 | C15 | N16 | H47 | 121.4° | 120.0° |
| C6 | C15 | N16 | H46 | 121.4° | 120.1° |
| C6 | C15 | N16 | C17 | 83.0° | 180.0° |
| C6 | C15 | H47 | H46 | 115.7° | 120.0° |
| C15 | C6 | C5 | H43 | 0.4° | 0.1° |
| C15 | C6 | C7 | H44 | 1.0° | 0.1° |
| C6 | C15 | N16 | H48 | 39.0° | 0.1° |
| C7 | C8 | C9 | O10 | 179.6° | 179.8° |
| C7 | C8 | O10 | C11 | 95.5° | 0.0° |
| C7 | C8 | C9 | H45 | 179.7° | 179.7° |
| C9 | C8 | O10 | C11 | 84.8° | 179.8° |
| C9 | C8 | C7 | H44 | 176.9° | 179.8° |
| C8 | O10 | C11 | F12 | 179.5° | 60.0° |
| C8 | O10 | C11 | F13 | 57.1° | 180.0° |
| C8 | O10 | C11 | F14 | 60.1° | 60.0° |
| O10 | C8 | C7 | H44 | 3.5° | 0.1° |
| O10 | C8 | C9 | H45 | 0.1° | 0.0° |
| O10 | C11 | F12 | F13 | 123.2° | 120.0° |
| O10 | C11 | F12 | F14 | 124.4° | 120.0° |
| O10 | C11 | F13 | F14 | 122.6° | 120.0° |
| F12 | C11 | F13 | F14 | 113.8° | 120.0° |
| C15 | N16 | C17 | H48 | 121.9° | 179.9° |
| C15 | N16 | C17 | N18 | 174.3° | 179.9° |
| C15 | N16 | C17 | N22 | 3.9° | 0.3° |
| N16 | C15 | H47 | H46 | 115.7° | 120.0° |
| N16 | C17 | N18 | N22 | 177.9° | 179.8° |
| N16 | C17 | N18 | C19 | 179.0° | 179.7° |
| N16 | C17 | N22 | C21 | 179.1° | 179.7° |
| C17 | N16 | C15 | H47 | 155.7° | 60.0° |
| C17 | N16 | C15 | H46 | 38.4° | 60.0° |
| C17 | N18 | C19 | C20 | 0.4° | 0.1° |
| N18 | C17 | N22 | C21 | 1.2° | 0.1° |
| C17 | N18 | C19 | H49 | 179.6° | 180.0° |
| N18 | C17 | N16 | H48 | 63.8° | 0.0° |
| N22 | C17 | N18 | C19 | 1.1° | 0.1° |
| C17 | N22 | C21 | C20 | 0.2° | 0.0° |
| C17 | N22 | C21 | H50 | 179.8° | 180.0° |
| N22 | C17 | N16 | H48 | 118.1° | 179.8° |
| N18 | C19 | C20 | H49 | 180.0° | 179.9° |
| N18 | C19 | C20 | C21 | 1.6° | 0.0° |
| N18 | C19 | C20 | C23 | 177.6° | 180.0° |
| C19 | C20 | C21 | C23 | 175.5° | 180.0° |
| C19 | C20 | C21 | N22 | 1.5° | 0.0° |
| C19 | C20 | C23 | O24 | 3.6° | 6.5° |
| C19 | C20 | C23 | N25 | 176.8° | 173.4° |
| C19 | C20 | C21 | H50 | 178.5° | 180.0° |
| C20 | C21 | N22 | H50 | 180.0° | 180.0° |
| C21 | C20 | C23 | O24 | 179.1° | 173.5° |
| C21 | C20 | C23 | N25 | 1.4° | 6.6° |
| C21 | C20 | C19 | H49 | 178.4° | 180.0° |
| C23 | C20 | C21 | N22 | 177.0° | 180.0° |
| C20 | C23 | O24 | N25 | 179.6° | 179.9° |
| C20 | C23 | N25 | C26 | 12.2° | 5.5° |
| C20 | C23 | N25 | C28 | 170.5° | 174.5° |
| C23 | C20 | C19 | H49 | 2.4° | 0.1° |
| C23 | C20 | C21 | H50 | 3.0° | 0.0° |
| O24 | C23 | N25 | C26 | 167.3° | 174.5° |
| O24 | C23 | N25 | C28 | 9.0° | 5.5° |
| C23 | N25 | C26 | C28 | 162.9° | 180.0° |
| C23 | N25 | C26 | C27 | 167.7° | 156.3° |
| C23 | N25 | C28 | C27 | 170.8° | 156.1° |
| C23 | N25 | C28 | C29 | 43.3° | 30.3° |
| C23 | N25 | C28 | C31 | 64.5° | 78.1° |
| C23 | N25 | C26 | H51 | 76.0° | 41.8° |
| C23 | N25 | C26 | H52 | 51.4° | 89.3° |
| N25 | C26 | C27 | H51 | 116.3° | 114.3° |
| N25 | C26 | C27 | H52 | 116.2° | 114.5° |
| C26 | N25 | C28 | C27 | 4.9° | 23.9° |
| C26 | N25 | C28 | C29 | 122.6° | 149.7° |
| C26 | N25 | C28 | C31 | 129.6° | 101.9° |
| N25 | C26 | H51 | H52 | 129.9° | 131.6° |
| N25 | C26 | C27 | H53 | 111.6° | 137.0° |
| N25 | C26 | C27 | H54 | 121.2° | 91.5° |
| N25 | C28 | C27 | C29 | 127.7° | 125.8° |
| N25 | C28 | C27 | C31 | 124.6° | 125.9° |
| N25 | C28 | C29 | C31 | 124.0° | 126.0° |
| N25 | C28 | C29 | N30 | 133.2° | 148.9° |
| N25 | C28 | C31 | N30 | 134.8° | 148.9° |
| C28 | N25 | C26 | H51 | 121.1° | 138.2° |
| C28 | N25 | C26 | H52 | 111.5° | 90.7° |
| N25 | C28 | C27 | H53 | 111.7° | 137.2° |
| N25 | C28 | C27 | H54 | 121.2° | 91.3° |
| N25 | C28 | C29 | H56 | 110.5° | 96.8° |
| N25 | C28 | C29 | H55 | 16.8° | 34.8° |
| N25 | C28 | C31 | H58 | 18.5° | 34.7° |
| N25 | C28 | C31 | H57 | 108.9° | 96.9° |
| C26 | C27 | C28 | H53 | 116.4° | 114.2° |
| C26 | C27 | C28 | H54 | 116.5° | 114.2° |
| C26 | C27 | C28 | C29 | 122.9° | 148.8° |
| C26 | C27 | C28 | C31 | 129.3° | 102.9° |
| C27 | C26 | H51 | H52 | 130.0° | 131.7° |
| C26 | C27 | H53 | H54 | 129.6° | 131.8° |
| C27 | C28 | C29 | C31 | 124.1° | 125.9° |
| C27 | C28 | C29 | N30 | 115.0° | 102.9° |
| C27 | C28 | C31 | N30 | 116.4° | 102.9° |
| C28 | C27 | C26 | H51 | 121.0° | 137.1° |
| C28 | C27 | C26 | H52 | 111.5° | 91.7° |
| C28 | C27 | H53 | H54 | 129.6° | 131.9° |
| C27 | C28 | C29 | H56 | 1.3° | 11.3° |
| C27 | C28 | C29 | H55 | 128.7° | 143.0° |
| C27 | C28 | C31 | H58 | 127.3° | 142.9° |
| C27 | C28 | C31 | H57 | 0.1° | 11.4° |
| C28 | C29 | N30 | H56 | 116.3° | 114.2° |
| C28 | C29 | N30 | H55 | 116.3° | 114.2° |
| C29 | C28 | C31 | N30 | 9.1° | 22.9° |
| C28 | C29 | N30 | S32 | 146.6° | 156.2° |
| C29 | C28 | C27 | H53 | 120.7° | 97.0° |
| C29 | C28 | C27 | H54 | 6.5° | 34.5° |
| C28 | C29 | H56 | H55 | 129.9° | 132.0° |
| C29 | C28 | C31 | H58 | 107.2° | 91.2° |
| C29 | C28 | C31 | H57 | 125.5° | 137.2° |
| C28 | C31 | N30 | H58 | 116.3° | 114.2° |
| C28 | C31 | N30 | H57 | 116.3° | 114.2° |
| C28 | C31 | N30 | S32 | 147.9° | 156.2° |
| C31 | C28 | C27 | H53 | 12.9° | 11.3° |
| C31 | C28 | C27 | H54 | 114.2° | 142.8° |
| C31 | C28 | C29 | H56 | 125.4° | 137.2° |
| C31 | C28 | C29 | H55 | 107.2° | 91.2° |
| C28 | C31 | H58 | H57 | 129.8° | 131.9° |
| C29 | N30 | C31 | S32 | 138.4° | 179.9° |
| C29 | N30 | S32 | O33 | 169.5° | 153.9° |
| C29 | N30 | S32 | O34 | 41.1° | 26.0° |
| C29 | N30 | S32 | C35 | 74.6° | 90.1° |
| N30 | C29 | H56 | H55 | 129.9° | 131.9° |
| C29 | N30 | C31 | H58 | 106.8° | 90.4° |
| C29 | N30 | C31 | H57 | 125.8° | 138.0° |
| C31 | N30 | S32 | O33 | 65.8° | 26.0° |
| C31 | N30 | S32 | O34 | 165.9° | 153.9° |
| C31 | N30 | S32 | C35 | 50.1° | 90.0° |
| C31 | N30 | C29 | H56 | 125.8° | 138.0° |
| C31 | N30 | C29 | H55 | 106.8° | 90.4° |
| N30 | C31 | H58 | H57 | 129.9° | 132.0° |
| N30 | S32 | O33 | O34 | 120.7° | 116.7° |
| N30 | S32 | O33 | C35 | 115.2° | 111.7° |
| N30 | S32 | O34 | C35 | 115.4° | 111.7° |
| S32 | N30 | C29 | H56 | 97.1° | 41.9° |
| S32 | N30 | C29 | H55 | 30.3° | 89.7° |
| S32 | N30 | C31 | H58 | 31.6° | 89.7° |
| S32 | N30 | C31 | H57 | 95.8° | 42.0° |
| N30 | S32 | C35 | H60 | 180.0° | 60.0° |
| N30 | S32 | C35 | H59 | 60.0° | 180.0° |
| N30 | S32 | C35 | H61 | 60.0° | 60.0° |
| O33 | S32 | O34 | C35 | 124.3° | 131.6° |
| O33 | S32 | C35 | H60 | 65.6° | 51.6° |
| O33 | S32 | C35 | H59 | 174.3° | 68.4° |
| O33 | S32 | C35 | H61 | 54.4° | 171.6° |
| O34 | S32 | C35 | H60 | 64.9° | 171.6° |
| O34 | S32 | C35 | H59 | 55.1° | 68.4° |
| O34 | S32 | C35 | H61 | 175.1° | 51.6° |
| S32 | C35 | H60 | H59 | 120.0° | 119.9° |
| S32 | C35 | H60 | H61 | 120.0° | 120.0° |
| S32 | C35 | H59 | H61 | 120.0° | 119.9° |
| H47 | C15 | N16 | H48 | 82.4° | 120.1° |
| H46 | C15 | N16 | H48 | 160.3° | 120.0° |
| H51 | C26 | C27 | H53 | 4.6° | 108.7° |
| H51 | C26 | C27 | H54 | 122.5° | 22.8° |
| H52 | C26 | C27 | H53 | 132.1° | 22.5° |
| H52 | C26 | C27 | H54 | 5.0° | 154.0° |
| H36 | C1 | H38 | H37 | 120.0° | 119.9° |
| H36 | C1 | C2 | H39 | 64.9° | 180.0° |
| H38 | C1 | C2 | H39 | 175.1° | 59.9° |
| H37 | C1 | C2 | H39 | 55.1° | 60.1° |
| H39 | C2 | C3 | H42 | 65.0° | 180.0° |
| H39 | C2 | C3 | H41 | 55.0° | 59.9° |
| H39 | C2 | C3 | H40 | 175.1° | 60.0° |
| H42 | C3 | H41 | H40 | 120.0° | 119.9° |
| H60 | C35 | H59 | H61 | 120.0° | 120.1° |
