Y1Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C2 | N3 | doub | 1.31Å | 1.33Å | Aromatic |
| C2 | N6 | sing | 1.33Å | 1.35Å | Aromatic |
| N3 | N4 | sing | 1.29Å | 1.33Å | Aromatic |
| N4 | N5 | sing | 1.29Å | 1.32Å | Aromatic |
| N4 | C7 | sing | 1.46Å | 1.40Å | |
| N5 | N6 | doub | 1.29Å | 1.32Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.49Å | |
| C10 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | F12 | sing | 1.40Å | 1.31Å | |
| C11 | F13 | sing | 1.40Å | 1.33Å | |
| C11 | F14 | sing | 1.40Å | 1.33Å | |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C20 | N21 | sing | 1.35Å | 1.36Å | |
| C20 | O36 | doub | 1.21Å | 1.22Å | |
| N21 | C22 | sing | 1.46Å | 1.47Å | |
| N21 | C35 | sing | 1.46Å | 1.47Å | |
| C22 | C23 | sing | 1.53Å | 1.49Å | |
| C23 | O24 | sing | 1.43Å | 1.43Å | |
| O24 | C25 | sing | 1.36Å | 1.37Å | |
| C25 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | S31 | sing | 1.76Å | 1.76Å | |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| S31 | N32 | sing | 1.66Å | 1.61Å | |
| S31 | O33 | doub | 1.42Å | 1.45Å | |
| S31 | O34 | doub | 1.42Å | 1.44Å | |
| C15 | H43 | sing | 1.08Å | 1.08Å | |
| C16 | H44 | sing | 1.08Å | 1.08Å | |
| C18 | H46 | sing | 1.09Å | 1.10Å | |
| C18 | H45 | sing | 1.09Å | 1.10Å | |
| C19 | H47 | sing | 1.09Å | 1.10Å | |
| C19 | H48 | sing | 1.09Å | 1.10Å | |
| C22 | H50 | sing | 1.09Å | 1.10Å | |
| C22 | H49 | sing | 1.09Å | 1.10Å | |
| C23 | H52 | sing | 1.09Å | 1.10Å | |
| C23 | H51 | sing | 1.09Å | 1.10Å | |
| C26 | H53 | sing | 1.08Å | 1.08Å | |
| C27 | H54 | sing | 1.08Å | 1.08Å | |
| C1 | H39 | sing | 1.09Å | 1.10Å | |
| C1 | H37 | sing | 1.09Å | 1.10Å | |
| C1 | H38 | sing | 1.09Å | 1.10Å | |
| C7 | H40 | sing | 1.09Å | 1.10Å | |
| C7 | H41 | sing | 1.09Å | 1.10Å | |
| C9 | H42 | sing | 1.08Å | 1.08Å | |
| C29 | H55 | sing | 1.08Å | 1.08Å | |
| C30 | H56 | sing | 1.08Å | 1.08Å | |
| N32 | H57 | sing | 0.97Å | 1.00Å | |
| N32 | H58 | sing | 0.97Å | 1.00Å | |
| C35 | H59 | sing | 1.09Å | 1.10Å | |
| C35 | H61 | sing | 1.09Å | 1.10Å | |
| C35 | H60 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N3 | 121.6° | 126.6° |
| C1 | C2 | N6 | 125.7° | 126.5° |
| C2 | C1 | H39 | 109.5° | 109.4° |
| C2 | C1 | H37 | 109.5° | 109.5° |
| C2 | C1 | H38 | 109.5° | 109.5° |
| N3 | C2 | N6 | 112.7° | 106.9° |
| C2 | N3 | N4 | 101.3° | 107.9° |
| C2 | N6 | N5 | 106.1° | 107.3° |
| N3 | N4 | N5 | 114.1° | 109.1° |
| N3 | N4 | C7 | 121.2° | 125.5° |
| N5 | N4 | C7 | 124.7° | 125.4° |
| N4 | N5 | N6 | 105.9° | 108.7° |
| N4 | C7 | C8 | 112.8° | 109.5° |
| N4 | C7 | H40 | 108.6° | 109.5° |
| N4 | C7 | H41 | 108.6° | 109.5° |
| C7 | C8 | C9 | 120.2° | 120.0° |
| C7 | C8 | C17 | 120.5° | 120.0° |
| C8 | C7 | H40 | 108.7° | 109.5° |
| C8 | C7 | H41 | 108.7° | 109.5° |
| C9 | C8 | C17 | 119.1° | 120.0° |
| C8 | C9 | C10 | 122.4° | 120.0° |
| C8 | C9 | H42 | 118.8° | 120.0° |
| C8 | C17 | C16 | 118.6° | 120.0° |
| C8 | C17 | C18 | 123.7° | 120.0° |
| C9 | C10 | C11 | 121.1° | 120.0° |
| C9 | C10 | C15 | 118.0° | 120.0° |
| C10 | C9 | H42 | 118.8° | 120.0° |
| C11 | C10 | C15 | 120.9° | 120.0° |
| C10 | C11 | F12 | 113.7° | 109.5° |
| C10 | C11 | F13 | 112.8° | 109.5° |
| C10 | C11 | F14 | 111.2° | 109.5° |
| C10 | C15 | C16 | 120.4° | 120.0° |
| C10 | C15 | H43 | 119.8° | 120.0° |
| F12 | C11 | F13 | 106.9° | 109.5° |
| F12 | C11 | F14 | 107.8° | 109.5° |
| F13 | C11 | F14 | 103.8° | 109.4° |
| C15 | C16 | C17 | 121.3° | 120.0° |
| C16 | C15 | H43 | 119.8° | 120.0° |
| C15 | C16 | H44 | 119.3° | 120.0° |
| C16 | C17 | C18 | 117.6° | 120.0° |
| C17 | C16 | H44 | 119.4° | 120.0° |
| C17 | C18 | C19 | 113.2° | 109.5° |
| C17 | C18 | H46 | 108.5° | 109.5° |
| C17 | C18 | H45 | 108.5° | 109.4° |
| C18 | C19 | C20 | 113.5° | 109.5° |
| C19 | C18 | H46 | 108.6° | 109.5° |
| C19 | C18 | H45 | 108.5° | 109.5° |
| C18 | C19 | H47 | 108.4° | 109.5° |
| C18 | C19 | H48 | 108.5° | 109.4° |
| C19 | C20 | N21 | 119.8° | 120.0° |
| C19 | C20 | O36 | 117.9° | 120.0° |
| C20 | C19 | H47 | 108.5° | 109.5° |
| C20 | C19 | H48 | 108.4° | 109.5° |
| N21 | C20 | O36 | 122.2° | 120.0° |
| C20 | N21 | C22 | 125.5° | 120.0° |
| C20 | N21 | C35 | 120.6° | 120.0° |
| C22 | N21 | C35 | 113.9° | 120.0° |
| N21 | C22 | C23 | 108.9° | 109.5° |
| N21 | C22 | H50 | 109.6° | 109.5° |
| N21 | C22 | H49 | 109.6° | 109.5° |
| N21 | C35 | H59 | 109.5° | 109.4° |
| N21 | C35 | H61 | 109.5° | 109.5° |
| N21 | C35 | H60 | 109.5° | 109.5° |
| C22 | C23 | O24 | 107.0° | 109.5° |
| C23 | C22 | H50 | 109.6° | 109.4° |
| C23 | C22 | H49 | 109.6° | 109.4° |
| C22 | C23 | H52 | 110.1° | 109.5° |
| C22 | C23 | H51 | 110.1° | 109.5° |
| C23 | O24 | C25 | 120.6° | 117.0° |
| O24 | C23 | H52 | 110.1° | 109.5° |
| O24 | C23 | H51 | 110.1° | 109.4° |
| O24 | C25 | C26 | 125.5° | 120.1° |
| O24 | C25 | C30 | 114.3° | 120.1° |
| C26 | C25 | C30 | 120.2° | 119.8° |
| C25 | C26 | C27 | 120.0° | 120.0° |
| C25 | C26 | H53 | 120.0° | 120.0° |
| C25 | C30 | C29 | 119.9° | 120.0° |
| C25 | C30 | H56 | 120.0° | 120.0° |
| C26 | C27 | C28 | 119.6° | 120.1° |
| C27 | C26 | H53 | 120.0° | 120.0° |
| C26 | C27 | H54 | 120.2° | 120.0° |
| C27 | C28 | C29 | 120.9° | 120.1° |
| C27 | C28 | S31 | 119.5° | 120.0° |
| C28 | C27 | H54 | 120.3° | 119.9° |
| C29 | C28 | S31 | 119.6° | 119.9° |
| C28 | C29 | C30 | 119.4° | 120.0° |
| C28 | C29 | H55 | 120.3° | 120.0° |
| C28 | S31 | N32 | 109.1° | 107.2° |
| C28 | S31 | O33 | 107.4° | 106.4° |
| C28 | S31 | O34 | 106.7° | 106.4° |
| C30 | C29 | H55 | 120.3° | 120.0° |
| C29 | C30 | H56 | 120.1° | 120.1° |
| N32 | S31 | O33 | 106.1° | 106.4° |
| N32 | S31 | O34 | 107.4° | 106.4° |
| S31 | N32 | H57 | 109.5° | 120.0° |
| S31 | N32 | H58 | 109.5° | 120.0° |
| O33 | S31 | O34 | 119.8° | 123.2° |
| H46 | C18 | H45 | 109.5° | 109.4° |
| H47 | C19 | H48 | 109.5° | 109.5° |
| H50 | C22 | H49 | 109.5° | 109.5° |
| H52 | C23 | H51 | 109.5° | 109.5° |
| H39 | C1 | H37 | 109.5° | 109.5° |
| H39 | C1 | H38 | 109.5° | 109.5° |
| H37 | C1 | H38 | 109.5° | 109.4° |
| H40 | C7 | H41 | 109.5° | 109.4° |
| H57 | N32 | H58 | 109.4° | 120.0° |
| H59 | C35 | H61 | 109.5° | 109.4° |
| H59 | C35 | H60 | 109.5° | 109.5° |
| H61 | C35 | H60 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N3 | N6 | 178.7° | 179.7° |
| C1 | C2 | N3 | N4 | 179.5° | 180.0° |
| C1 | C2 | N6 | N5 | 179.2° | 179.9° |
| C2 | C1 | H39 | H37 | 120.0° | 120.1° |
| C2 | C1 | H39 | H38 | 120.0° | 120.0° |
| C2 | C1 | H37 | H38 | 120.0° | 120.0° |
| C2 | N3 | N4 | N5 | 0.8° | 0.0° |
| C2 | N3 | N4 | C7 | 178.0° | 180.0° |
| N3 | C2 | N6 | N5 | 0.6° | 0.4° |
| N3 | C2 | C1 | H39 | 0.0° | 90.0° |
| N3 | C2 | C1 | H37 | 120.0° | 150.0° |
| N3 | C2 | C1 | H38 | 120.0° | 30.0° |
| N6 | C2 | N3 | N4 | 0.8° | 0.2° |
| C2 | N6 | N5 | N4 | 0.0° | 0.4° |
| N6 | C2 | C1 | H39 | 178.5° | 90.3° |
| N6 | C2 | C1 | H37 | 58.5° | 29.7° |
| N6 | C2 | C1 | H38 | 61.5° | 149.7° |
| N3 | N4 | N5 | C7 | 178.7° | 180.0° |
| N3 | N4 | N5 | N6 | 0.5° | 0.3° |
| N3 | N4 | C7 | C8 | 89.3° | 90.0° |
| N3 | N4 | C7 | H40 | 31.3° | 150.0° |
| N3 | N4 | C7 | H41 | 150.2° | 30.0° |
| N5 | N4 | C7 | C8 | 92.1° | 90.0° |
| N5 | N4 | C7 | H40 | 147.4° | 30.0° |
| N5 | N4 | C7 | H41 | 28.4° | 150.0° |
| C7 | N4 | N5 | N6 | 178.2° | 179.7° |
| N4 | C7 | C8 | H40 | 120.5° | 120.0° |
| N4 | C7 | C8 | H41 | 120.5° | 120.0° |
| N4 | C7 | C8 | C9 | 68.9° | 95.0° |
| N4 | C7 | C8 | C17 | 116.3° | 84.6° |
| N4 | C7 | H40 | H41 | 118.5° | 120.0° |
| C7 | C8 | C9 | C17 | 174.9° | 179.6° |
| C7 | C8 | C9 | C10 | 175.2° | 180.0° |
| C7 | C8 | C17 | C16 | 175.0° | 179.7° |
| C7 | C8 | C17 | C18 | 4.1° | 0.3° |
| C8 | C7 | H40 | H41 | 118.5° | 120.0° |
| C7 | C8 | C9 | H42 | 4.8° | 0.0° |
| C8 | C9 | C10 | H42 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 179.1° | 179.8° |
| C8 | C9 | C10 | C15 | 0.9° | 0.5° |
| C9 | C8 | C17 | C16 | 0.1° | 0.2° |
| C9 | C8 | C17 | C18 | 179.0° | 179.8° |
| C9 | C8 | C7 | H40 | 170.6° | 145.0° |
| C9 | C8 | C7 | H41 | 51.6° | 25.0° |
| C17 | C8 | C9 | C10 | 0.2° | 0.5° |
| C8 | C17 | C16 | C15 | 1.1° | 0.1° |
| C8 | C17 | C16 | C18 | 179.2° | 180.0° |
| C8 | C17 | C18 | C19 | 86.2° | 85.0° |
| C8 | C17 | C16 | H44 | 178.9° | 180.0° |
| C8 | C17 | C18 | H46 | 34.3° | 155.0° |
| C8 | C17 | C18 | H45 | 153.2° | 35.1° |
| C17 | C8 | C7 | H40 | 4.2° | 35.4° |
| C17 | C8 | C7 | H41 | 123.3° | 155.4° |
| C17 | C8 | C9 | H42 | 179.8° | 179.6° |
| C9 | C10 | C11 | C15 | 180.0° | 179.7° |
| C9 | C10 | C11 | F12 | 13.8° | 179.7° |
| C9 | C10 | C11 | F13 | 135.8° | 60.3° |
| C9 | C10 | C11 | F14 | 108.1° | 59.7° |
| C9 | C10 | C15 | C16 | 2.1° | 0.3° |
| C9 | C10 | C15 | H43 | 177.9° | 179.7° |
| C10 | C11 | F12 | F13 | 125.2° | 120.0° |
| C10 | C11 | F12 | F14 | 123.8° | 120.1° |
| C10 | C11 | F13 | F14 | 120.5° | 120.0° |
| C11 | C10 | C15 | C16 | 177.9° | 179.9° |
| C11 | C10 | C15 | H43 | 2.1° | 0.0° |
| C11 | C10 | C9 | H42 | 0.9° | 0.1° |
| C15 | C10 | C11 | F12 | 166.3° | 0.0° |
| C15 | C10 | C11 | F13 | 44.3° | 120.0° |
| C15 | C10 | C11 | F14 | 71.8° | 120.0° |
| C10 | C15 | C16 | H43 | 180.0° | 180.0° |
| C10 | C15 | C16 | C17 | 2.3° | 0.0° |
| C10 | C15 | C16 | H44 | 177.7° | 180.0° |
| C15 | C10 | C9 | H42 | 179.1° | 179.6° |
| F12 | C11 | F13 | F14 | 113.8° | 120.0° |
| C15 | C16 | C17 | H44 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 179.7° | 179.9° |
| C16 | C17 | C18 | C19 | 94.6° | 95.0° |
| C17 | C16 | C15 | H43 | 177.7° | 180.0° |
| C16 | C17 | C18 | H46 | 144.8° | 25.1° |
| C16 | C17 | C18 | H45 | 25.9° | 145.0° |
| C17 | C18 | C19 | H46 | 120.5° | 120.0° |
| C17 | C18 | C19 | H45 | 120.5° | 120.0° |
| C17 | C18 | C19 | C20 | 178.7° | 180.0° |
| C18 | C17 | C16 | H44 | 0.3° | 0.0° |
| C17 | C18 | H46 | H45 | 118.3° | 119.9° |
| C17 | C18 | C19 | H47 | 58.1° | 60.0° |
| C17 | C18 | C19 | H48 | 60.7° | 60.0° |
| C18 | C19 | C20 | H47 | 120.6° | 120.0° |
| C18 | C19 | C20 | H48 | 120.6° | 120.0° |
| C18 | C19 | C20 | N21 | 169.1° | 180.0° |
| C18 | C19 | C20 | O36 | 14.6° | 0.0° |
| C19 | C18 | H46 | H45 | 118.3° | 120.0° |
| C18 | C19 | H47 | H48 | 118.2° | 120.0° |
| C19 | C20 | N21 | O36 | 176.1° | 180.0° |
| C19 | C20 | N21 | C22 | 179.1° | 180.0° |
| C19 | C20 | N21 | C35 | 1.8° | 0.0° |
| C20 | C19 | C18 | H46 | 60.7° | 60.0° |
| C20 | C19 | C18 | H45 | 58.2° | 60.0° |
| C20 | C19 | H47 | H48 | 118.1° | 120.0° |
| C20 | N21 | C22 | C35 | 179.1° | 180.0° |
| C20 | N21 | C22 | C23 | 79.3° | 90.0° |
| N21 | C20 | C19 | H47 | 70.3° | 60.0° |
| N21 | C20 | C19 | H48 | 48.5° | 60.0° |
| C20 | N21 | C22 | H50 | 40.6° | 30.0° |
| C20 | N21 | C22 | H49 | 160.8° | 150.1° |
| C20 | N21 | C35 | H59 | 180.0° | 90.1° |
| C20 | N21 | C35 | H61 | 60.0° | 150.0° |
| C20 | N21 | C35 | H60 | 60.0° | 29.9° |
| O36 | C20 | N21 | C22 | 3.0° | 0.0° |
| O36 | C20 | N21 | C35 | 177.9° | 180.0° |
| O36 | C20 | C19 | H47 | 106.0° | 120.0° |
| O36 | C20 | C19 | H48 | 135.3° | 119.9° |
| N21 | C22 | C23 | H50 | 119.9° | 120.0° |
| N21 | C22 | C23 | H49 | 119.9° | 120.0° |
| N21 | C22 | C23 | O24 | 45.4° | 65.0° |
| N21 | C22 | H50 | H49 | 120.2° | 120.1° |
| N21 | C22 | C23 | H52 | 74.2° | 175.0° |
| N21 | C22 | C23 | H51 | 165.0° | 55.0° |
| C22 | N21 | C35 | H59 | 0.8° | 90.0° |
| C22 | N21 | C35 | H61 | 120.8° | 30.0° |
| C22 | N21 | C35 | H60 | 119.2° | 150.0° |
| C35 | N21 | C22 | C23 | 99.9° | 90.0° |
| C35 | N21 | C22 | H50 | 140.2° | 150.0° |
| C35 | N21 | C22 | H49 | 20.0° | 30.0° |
| N21 | C35 | H59 | H61 | 120.0° | 120.0° |
| N21 | C35 | H59 | H60 | 120.0° | 120.0° |
| N21 | C35 | H61 | H60 | 120.0° | 120.1° |
| C22 | C23 | O24 | H52 | 119.6° | 120.1° |
| C22 | C23 | O24 | H51 | 119.6° | 120.0° |
| C22 | C23 | O24 | C25 | 170.8° | 180.0° |
| C23 | C22 | H50 | H49 | 120.3° | 119.9° |
| C22 | C23 | H52 | H51 | 121.2° | 120.0° |
| C23 | O24 | C25 | C26 | 2.0° | 180.0° |
| C23 | O24 | C25 | C30 | 179.3° | 0.3° |
| O24 | C23 | C22 | H50 | 165.3° | 175.0° |
| O24 | C23 | C22 | H49 | 74.5° | 55.0° |
| O24 | C23 | H52 | H51 | 121.2° | 120.0° |
| O24 | C25 | C26 | C30 | 178.7° | 179.7° |
| O24 | C25 | C26 | C27 | 179.8° | 179.7° |
| O24 | C25 | C30 | C29 | 179.5° | 179.7° |
| C25 | O24 | C23 | H52 | 51.2° | 59.9° |
| C25 | O24 | C23 | H51 | 69.6° | 60.0° |
| O24 | C25 | C26 | H53 | 0.2° | 0.3° |
| O24 | C25 | C30 | H56 | 0.5° | 0.3° |
| C25 | C26 | C27 | H53 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 1.2° | 0.1° |
| C26 | C25 | C30 | C29 | 1.7° | 0.0° |
| C25 | C26 | C27 | H54 | 178.8° | 180.0° |
| C26 | C25 | C30 | H56 | 178.3° | 180.0° |
| C30 | C25 | C26 | C27 | 1.5° | 0.1° |
| C25 | C30 | C29 | C28 | 1.6° | 0.1° |
| C25 | C30 | C29 | H56 | 180.0° | 180.0° |
| C30 | C25 | C26 | H53 | 178.5° | 180.0° |
| C25 | C30 | C29 | H55 | 178.4° | 179.9° |
| C26 | C27 | C28 | H54 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 1.1° | 0.0° |
| C26 | C27 | C28 | S31 | 177.9° | 179.9° |
| C27 | C28 | C29 | S31 | 179.0° | 180.0° |
| C27 | C28 | C29 | C30 | 1.3° | 0.1° |
| C27 | C28 | S31 | N32 | 129.1° | 90.0° |
| C27 | C28 | S31 | O33 | 14.5° | 156.4° |
| C27 | C28 | S31 | O34 | 115.2° | 23.5° |
| C28 | C27 | C26 | H53 | 178.8° | 180.0° |
| C27 | C28 | C29 | H55 | 178.7° | 179.9° |
| C28 | C29 | C30 | H55 | 180.0° | 180.0° |
| C29 | C28 | S31 | N32 | 50.0° | 90.0° |
| C29 | C28 | S31 | O33 | 164.6° | 23.5° |
| C29 | C28 | S31 | O34 | 65.7° | 156.4° |
| C29 | C28 | C27 | H54 | 178.9° | 180.0° |
| C28 | C29 | C30 | H56 | 178.4° | 179.9° |
| S31 | C28 | C29 | C30 | 177.7° | 180.0° |
| C28 | S31 | N32 | O33 | 115.4° | 113.5° |
| C28 | S31 | N32 | O34 | 115.3° | 113.5° |
| C28 | S31 | O33 | O34 | 121.8° | 122.9° |
| S31 | C28 | C27 | H54 | 2.1° | 0.0° |
| S31 | C28 | C29 | H55 | 2.2° | 0.0° |
| C28 | S31 | N32 | H57 | 180.0° | 0.1° |
| C28 | S31 | N32 | H58 | 60.0° | 180.0° |
| N32 | S31 | O33 | O34 | 121.6° | 123.0° |
| S31 | N32 | H57 | H58 | 120.0° | 179.9° |
| O33 | S31 | N32 | H57 | 64.6° | 113.5° |
| O33 | S31 | N32 | H58 | 175.4° | 66.5° |
| O34 | S31 | N32 | H57 | 64.7° | 113.6° |
| O34 | S31 | N32 | H58 | 55.3° | 66.5° |
| H43 | C15 | C16 | H44 | 2.3° | 0.1° |
| H46 | C18 | C19 | H47 | 178.6° | 180.0° |
| H46 | C18 | C19 | H48 | 59.9° | 60.0° |
| H45 | C18 | C19 | H47 | 62.4° | 60.0° |
| H45 | C18 | C19 | H48 | 178.8° | 180.0° |
| H50 | C22 | C23 | H52 | 45.7° | 55.0° |
| H50 | C22 | C23 | H51 | 75.1° | 65.0° |
| H49 | C22 | C23 | H52 | 165.9° | 65.0° |
| H49 | C22 | C23 | H51 | 45.1° | 175.0° |
| H53 | C26 | C27 | H54 | 1.2° | 0.0° |
| H39 | C1 | H37 | H38 | 120.0° | 120.0° |
| H55 | C29 | C30 | H56 | 1.6° | 0.1° |
| H59 | C35 | H61 | H60 | 120.0° | 120.0° |
