QYY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O34 | S36 | doub | 1.42Å | 1.46Å | |
| O33 | S36 | doub | 1.42Å | 1.44Å | |
| S36 | C27 | sing | 1.81Å | 1.78Å | |
| S36 | C14 | sing | 1.76Å | 1.78Å | |
| C27 | C24 | sing | 1.53Å | 1.50Å | |
| C14 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C8 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C18 | sing | 1.48Å | 1.48Å | |
| C12 | O35 | sing | 1.36Å | 1.38Å | |
| C18 | C9 | sing | 1.47Å | 1.41Å | |
| C18 | C17 | doub | 1.36Å | 1.34Å | |
| O32 | C20 | doub | 1.22Å | 1.22Å | |
| C7 | C9 | sing | 1.41Å | 1.42Å | Aromatic |
| C7 | C16 | doub | 1.36Å | 1.38Å | Aromatic |
| C22 | C11 | sing | 1.51Å | 1.50Å | |
| C9 | C15 | doub | 1.40Å | 1.37Å | Aromatic |
| C17 | N29 | sing | 1.36Å | 1.39Å | |
| C20 | C16 | sing | 1.47Å | 1.43Å | |
| C20 | N30 | sing | 1.35Å | 1.36Å | |
| C16 | N28 | sing | 1.37Å | 1.37Å | Aromatic |
| C15 | N28 | sing | 1.37Å | 1.37Å | Aromatic |
| C15 | C19 | sing | 1.41Å | 1.44Å | |
| N29 | C19 | sing | 1.34Å | 1.39Å | |
| N29 | C25 | sing | 1.46Å | 1.44Å | |
| N30 | C26 | sing | 1.46Å | 1.44Å | |
| C19 | O31 | doub | 1.22Å | 1.22Å | |
| C26 | C23 | sing | 1.53Å | 1.51Å | |
| O35 | C13 | sing | 1.36Å | 1.38Å | |
| C11 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C21 | sing | 1.51Å | 1.49Å | |
| C10 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.08Å | 1.08Å | |
| C2 | H18 | sing | 1.08Å | 1.08Å | |
| C3 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| N28 | H28 | sing | 0.97Å | 1.00Å | |
| N30 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O34 | S36 | O33 | 123.4° | 121.0° |
| O34 | S36 | C27 | 105.1° | 110.5° |
| O34 | S36 | C14 | 107.1° | 104.3° |
| O33 | S36 | C27 | 111.2° | 110.6° |
| O33 | S36 | C14 | 103.3° | 104.2° |
| C27 | S36 | C14 | 105.4° | 104.5° |
| S36 | C27 | C24 | 109.1° | 109.5° |
| S36 | C27 | H26 | 109.6° | 109.5° |
| S36 | C27 | H27 | 109.6° | 109.5° |
| S36 | C14 | C5 | 119.1° | 119.9° |
| S36 | C14 | C6 | 118.1° | 119.9° |
| C27 | C24 | H12 | 109.5° | 109.5° |
| C27 | C24 | H13 | 109.5° | 109.4° |
| C27 | C24 | H14 | 109.5° | 109.5° |
| C24 | C27 | H26 | 109.6° | 109.5° |
| C24 | C27 | H27 | 109.6° | 109.5° |
| C5 | C14 | C6 | 122.9° | 120.2° |
| C14 | C5 | C4 | 118.2° | 120.3° |
| C14 | C5 | H2 | 120.9° | 119.8° |
| C14 | C6 | C8 | 119.4° | 120.0° |
| C14 | C6 | H3 | 120.3° | 120.0° |
| C5 | C4 | C12 | 119.0° | 120.1° |
| C5 | C4 | H1 | 120.5° | 120.0° |
| C4 | C5 | H2 | 120.9° | 119.9° |
| C6 | C8 | C12 | 117.9° | 119.7° |
| C6 | C8 | C18 | 118.1° | 120.2° |
| C8 | C6 | H3 | 120.3° | 120.0° |
| C4 | C12 | C8 | 122.7° | 119.7° |
| C4 | C12 | O35 | 121.0° | 120.1° |
| C12 | C4 | H1 | 120.5° | 119.9° |
| C12 | C8 | C18 | 124.0° | 120.1° |
| C8 | C12 | O35 | 116.4° | 120.1° |
| C8 | C18 | C9 | 125.7° | 120.7° |
| C8 | C18 | C17 | 117.8° | 120.6° |
| C12 | O35 | C13 | 121.5° | 118.0° |
| C9 | C18 | C17 | 116.5° | 118.8° |
| C18 | C9 | C7 | 130.6° | 134.2° |
| C18 | C9 | C15 | 120.3° | 118.5° |
| C18 | C17 | N29 | 123.5° | 121.1° |
| C18 | C17 | H5 | 118.2° | 119.5° |
| O32 | C20 | C16 | 122.1° | 120.0° |
| O32 | C20 | N30 | 123.0° | 120.0° |
| C9 | C7 | C16 | 106.4° | 107.5° |
| C7 | C9 | C15 | 109.1° | 107.3° |
| C9 | C7 | H4 | 126.8° | 126.3° |
| C7 | C16 | C20 | 125.7° | 125.5° |
| C7 | C16 | N28 | 107.5° | 108.9° |
| C16 | C7 | H4 | 126.8° | 126.2° |
| C22 | C11 | C13 | 121.5° | 119.9° |
| C22 | C11 | C3 | 119.4° | 120.1° |
| C11 | C22 | H9 | 109.5° | 109.5° |
| C11 | C22 | H10 | 109.5° | 109.4° |
| C11 | C22 | H11 | 109.5° | 109.5° |
| C9 | C15 | N28 | 106.2° | 107.4° |
| C9 | C15 | C19 | 124.3° | 118.8° |
| C17 | N29 | C19 | 123.5° | 122.3° |
| C17 | N29 | C25 | 118.2° | 118.9° |
| N29 | C17 | H5 | 118.3° | 119.4° |
| C16 | C20 | N30 | 114.9° | 120.0° |
| C20 | C16 | N28 | 126.7° | 125.5° |
| C20 | N30 | C26 | 120.2° | 120.0° |
| C20 | N30 | H29 | 119.9° | 119.9° |
| C16 | N28 | C15 | 110.7° | 108.9° |
| C16 | N28 | H28 | 124.6° | 125.6° |
| N28 | C15 | C19 | 129.5° | 133.8° |
| C15 | N28 | H28 | 124.7° | 125.5° |
| C15 | C19 | N29 | 111.9° | 120.5° |
| C15 | C19 | O31 | 124.6° | 119.7° |
| C19 | N29 | C25 | 118.2° | 118.8° |
| N29 | C19 | O31 | 123.4° | 119.8° |
| N29 | C25 | H23 | 109.5° | 109.5° |
| N29 | C25 | H24 | 109.4° | 109.5° |
| N29 | C25 | H25 | 109.5° | 109.5° |
| N30 | C26 | C23 | 109.8° | 109.5° |
| N30 | C26 | H15 | 109.3° | 109.5° |
| N30 | C26 | H16 | 109.4° | 109.5° |
| C26 | N30 | H29 | 119.9° | 120.1° |
| C23 | C26 | H15 | 109.4° | 109.4° |
| C23 | C26 | H16 | 109.4° | 109.5° |
| C26 | C23 | H20 | 109.5° | 109.5° |
| C26 | C23 | H21 | 109.4° | 109.5° |
| C26 | C23 | H22 | 109.4° | 109.4° |
| O35 | C13 | C11 | 120.6° | 120.1° |
| O35 | C13 | C10 | 117.5° | 120.1° |
| C13 | C11 | C3 | 119.1° | 120.0° |
| C11 | C13 | C10 | 121.4° | 119.8° |
| C11 | C3 | C1 | 119.6° | 120.1° |
| C11 | C3 | H19 | 120.2° | 119.9° |
| C13 | C10 | C21 | 120.6° | 120.0° |
| C13 | C10 | C2 | 118.9° | 119.9° |
| C3 | C1 | C2 | 121.0° | 120.1° |
| C3 | C1 | H17 | 119.5° | 119.9° |
| C1 | C3 | H19 | 120.2° | 120.0° |
| C21 | C10 | C2 | 120.4° | 120.0° |
| C10 | C21 | H6 | 109.5° | 109.5° |
| C10 | C21 | H7 | 109.5° | 109.4° |
| C10 | C21 | H8 | 109.5° | 109.5° |
| C10 | C2 | C1 | 119.8° | 120.1° |
| C10 | C2 | H18 | 120.1° | 120.0° |
| C2 | C1 | H17 | 119.5° | 120.0° |
| C1 | C2 | H18 | 120.1° | 119.9° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H6 | C21 | H8 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.4° | 109.4° |
| H9 | C22 | H11 | 109.4° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H12 | C24 | H13 | 109.5° | 109.5° |
| H12 | C24 | H14 | 109.5° | 109.5° |
| H13 | C24 | H14 | 109.4° | 109.5° |
| H15 | C26 | H16 | 109.5° | 109.4° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H20 | C23 | H22 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.4° |
| H23 | C25 | H25 | 109.4° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.4° |
| H26 | C27 | H27 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O34 | S36 | O33 | C27 | 126.1° | 131.5° |
| O34 | S36 | O33 | C14 | 121.2° | 116.7° |
| O34 | S36 | C27 | C14 | 113.0° | 111.6° |
| O34 | S36 | C27 | C24 | 156.4° | 68.4° |
| O34 | S36 | C14 | C5 | 117.9° | 26.1° |
| O34 | S36 | C14 | C6 | 60.2° | 153.9° |
| O34 | S36 | C27 | H26 | 36.4° | 171.6° |
| O34 | S36 | C27 | H27 | 83.6° | 51.6° |
| O33 | S36 | C27 | C14 | 111.3° | 111.6° |
| O33 | S36 | C27 | C24 | 20.7° | 68.4° |
| O33 | S36 | C14 | C5 | 13.7° | 153.9° |
| O33 | S36 | C14 | C6 | 168.2° | 26.1° |
| O33 | S36 | C27 | H26 | 99.3° | 51.6° |
| O33 | S36 | C27 | H27 | 140.7° | 171.6° |
| S36 | C27 | C24 | H26 | 120.0° | 120.0° |
| S36 | C27 | C24 | H27 | 120.0° | 120.0° |
| C27 | S36 | C14 | C5 | 130.5° | 90.0° |
| C27 | S36 | C14 | C6 | 51.4° | 90.0° |
| S36 | C27 | C24 | H12 | 180.0° | 60.1° |
| S36 | C27 | C24 | H13 | 60.0° | 180.0° |
| S36 | C27 | C24 | H14 | 60.0° | 60.0° |
| S36 | C27 | H26 | H27 | 120.2° | 120.0° |
| C14 | S36 | C27 | C24 | 90.6° | 180.0° |
| S36 | C14 | C5 | C6 | 178.0° | 180.0° |
| S36 | C14 | C5 | C4 | 179.2° | 180.0° |
| S36 | C14 | C6 | C8 | 178.5° | 179.8° |
| S36 | C14 | C5 | H2 | 0.8° | 0.1° |
| S36 | C14 | C6 | H3 | 1.6° | 0.2° |
| C14 | S36 | C27 | H26 | 149.4° | 60.0° |
| C14 | S36 | C27 | H27 | 29.4° | 60.0° |
| C27 | C24 | H12 | H13 | 120.0° | 119.9° |
| C27 | C24 | H12 | H14 | 120.0° | 120.1° |
| C27 | C24 | H13 | H14 | 120.0° | 120.0° |
| C24 | C27 | H26 | H27 | 120.2° | 120.0° |
| C14 | C5 | C4 | H2 | 180.0° | 179.9° |
| C5 | C14 | C6 | C8 | 0.4° | 0.2° |
| C14 | C5 | C4 | C12 | 1.1° | 0.1° |
| C14 | C5 | C4 | H1 | 178.9° | 179.8° |
| C5 | C14 | C6 | H3 | 179.6° | 179.8° |
| C6 | C14 | C5 | C4 | 1.2° | 0.0° |
| C14 | C6 | C8 | H3 | 180.0° | 179.6° |
| C14 | C6 | C8 | C12 | 0.4° | 0.4° |
| C14 | C6 | C8 | C18 | 178.9° | 179.4° |
| C6 | C14 | C5 | H2 | 178.8° | 179.9° |
| C5 | C4 | C12 | H1 | 180.0° | 179.7° |
| C5 | C4 | C12 | C8 | 0.4° | 0.3° |
| C5 | C4 | C12 | O35 | 179.0° | 179.7° |
| C6 | C8 | C12 | C4 | 0.4° | 0.5° |
| C6 | C8 | C12 | C18 | 179.2° | 179.9° |
| C6 | C8 | C12 | O35 | 179.8° | 179.5° |
| C6 | C8 | C18 | C9 | 128.1° | 74.9° |
| C6 | C8 | C18 | C17 | 49.4° | 105.0° |
| C4 | C12 | C8 | O35 | 179.4° | 180.0° |
| C4 | C12 | C8 | C18 | 178.8° | 179.4° |
| C4 | C12 | O35 | C13 | 7.1° | 0.0° |
| C12 | C4 | C5 | H2 | 178.9° | 179.9° |
| C12 | C8 | C18 | C9 | 51.1° | 105.0° |
| C12 | C8 | C18 | C17 | 131.4° | 75.1° |
| C8 | C12 | O35 | C13 | 173.5° | 180.0° |
| C8 | C12 | C4 | H1 | 179.6° | 180.0° |
| C12 | C8 | C6 | H3 | 179.6° | 180.0° |
| C18 | C8 | C12 | O35 | 0.6° | 0.6° |
| C8 | C18 | C9 | C17 | 177.5° | 180.0° |
| C8 | C18 | C9 | C7 | 3.8° | 0.0° |
| C8 | C18 | C9 | C15 | 176.8° | 180.0° |
| C8 | C18 | C17 | N29 | 178.2° | 179.9° |
| C18 | C8 | C6 | H3 | 1.2° | 0.1° |
| C8 | C18 | C17 | H5 | 1.8° | 0.0° |
| C12 | O35 | C13 | C11 | 89.8° | 90.0° |
| C12 | O35 | C13 | C10 | 97.7° | 90.0° |
| O35 | C12 | C4 | H1 | 1.0° | 0.0° |
| C18 | C9 | C7 | C15 | 179.4° | 180.0° |
| C18 | C9 | C7 | C16 | 179.8° | 180.0° |
| C9 | C18 | C17 | N29 | 0.4° | 0.0° |
| C18 | C9 | C15 | N28 | 179.5° | 180.0° |
| C18 | C9 | C15 | C19 | 0.3° | 0.0° |
| C18 | C9 | C7 | H4 | 0.3° | 0.3° |
| C9 | C18 | C17 | H5 | 179.6° | 179.9° |
| C17 | C18 | C9 | C7 | 178.6° | 180.0° |
| C17 | C18 | C9 | C15 | 0.7° | 0.0° |
| C18 | C17 | N29 | H5 | 180.0° | 179.9° |
| C18 | C17 | N29 | C19 | 2.7° | 0.0° |
| C18 | C17 | N29 | C25 | 179.3° | 180.0° |
| O32 | C20 | C16 | C7 | 1.1° | 0.0° |
| O32 | C20 | C16 | N30 | 178.0° | 180.0° |
| O32 | C20 | C16 | N28 | 179.3° | 180.0° |
| O32 | C20 | N30 | C26 | 3.0° | 0.0° |
| O32 | C20 | N30 | H29 | 177.0° | 180.0° |
| C9 | C7 | C16 | H4 | 180.0° | 179.7° |
| C9 | C7 | C16 | C20 | 178.9° | 180.0° |
| C9 | C7 | C16 | N28 | 0.3° | 0.0° |
| C7 | C9 | C15 | N28 | 1.0° | 0.0° |
| C7 | C9 | C15 | C19 | 179.8° | 180.0° |
| C16 | C7 | C9 | C15 | 0.8° | 0.0° |
| C7 | C16 | C20 | N28 | 178.3° | 180.0° |
| C7 | C16 | C20 | N30 | 176.9° | 180.0° |
| C7 | C16 | N28 | C15 | 0.3° | 0.0° |
| C7 | C16 | N28 | H28 | 179.7° | 179.9° |
| C22 | C11 | C13 | O35 | 5.4° | 0.1° |
| C22 | C11 | C13 | C3 | 179.9° | 180.0° |
| C22 | C11 | C13 | C10 | 177.6° | 180.0° |
| C22 | C11 | C3 | C1 | 179.6° | 179.8° |
| C11 | C22 | H9 | H10 | 120.0° | 120.0° |
| C11 | C22 | H9 | H11 | 120.0° | 120.1° |
| C11 | C22 | H10 | H11 | 120.0° | 120.0° |
| C22 | C11 | C3 | H19 | 0.4° | 0.1° |
| C9 | C15 | N28 | C16 | 0.8° | 0.0° |
| C9 | C15 | N28 | C19 | 179.2° | 179.9° |
| C9 | C15 | C19 | N29 | 2.3° | 0.0° |
| C9 | C15 | C19 | O31 | 178.7° | 180.0° |
| C15 | C9 | C7 | H4 | 179.1° | 179.7° |
| C9 | C15 | N28 | H28 | 179.2° | 179.9° |
| C17 | N29 | C19 | C15 | 3.4° | 0.0° |
| C17 | N29 | C19 | C25 | 176.6° | 179.9° |
| C17 | N29 | C19 | O31 | 177.6° | 180.0° |
| C17 | N29 | C25 | H23 | 180.0° | 90.0° |
| C17 | N29 | C25 | H24 | 60.0° | 150.0° |
| C17 | N29 | C25 | H25 | 60.0° | 30.1° |
| C20 | C16 | N28 | C15 | 178.2° | 180.0° |
| C16 | C20 | N30 | C26 | 175.0° | 180.0° |
| C20 | C16 | C7 | H4 | 1.1° | 0.3° |
| C20 | C16 | N28 | H28 | 1.8° | 0.0° |
| C16 | C20 | N30 | H29 | 5.1° | 0.0° |
| N30 | C20 | C16 | N28 | 1.4° | 0.1° |
| C20 | N30 | C26 | H29 | 180.0° | 179.9° |
| C20 | N30 | C26 | C23 | 164.5° | 179.9° |
| C20 | N30 | C26 | H15 | 75.4° | 60.0° |
| C20 | N30 | C26 | H16 | 44.5° | 60.0° |
| C16 | N28 | C15 | H28 | 180.0° | 179.9° |
| C16 | N28 | C15 | C19 | 180.0° | 179.9° |
| N28 | C16 | C7 | H4 | 179.6° | 179.7° |
| N28 | C15 | C19 | N29 | 178.7° | 179.9° |
| N28 | C15 | C19 | O31 | 0.3° | 0.0° |
| C15 | C19 | N29 | O31 | 179.1° | 180.0° |
| C15 | C19 | N29 | C25 | 180.0° | 180.0° |
| C19 | C15 | N28 | H28 | 0.0° | 0.0° |
| C19 | N29 | C17 | H5 | 177.3° | 180.0° |
| C19 | N29 | C25 | H23 | 3.2° | 89.9° |
| C19 | N29 | C25 | H24 | 123.2° | 30.0° |
| C19 | N29 | C25 | H25 | 116.8° | 150.0° |
| C25 | N29 | C19 | O31 | 0.9° | 0.0° |
| C25 | N29 | C17 | H5 | 0.7° | 0.1° |
| N29 | C25 | H23 | H24 | 120.0° | 120.0° |
| N29 | C25 | H23 | H25 | 120.0° | 120.0° |
| N29 | C25 | H24 | H25 | 120.0° | 120.0° |
| N30 | C26 | C23 | H15 | 120.0° | 120.0° |
| N30 | C26 | C23 | H16 | 120.0° | 120.0° |
| N30 | C26 | H15 | H16 | 119.8° | 120.0° |
| N30 | C26 | C23 | H20 | 180.0° | 180.0° |
| N30 | C26 | C23 | H21 | 60.0° | 60.0° |
| N30 | C26 | C23 | H22 | 60.0° | 60.0° |
| C23 | C26 | H15 | H16 | 119.9° | 120.0° |
| C26 | C23 | H20 | H21 | 120.0° | 120.0° |
| C26 | C23 | H20 | H22 | 120.0° | 119.9° |
| C26 | C23 | H21 | H22 | 120.0° | 120.0° |
| C23 | C26 | N30 | H29 | 15.5° | 0.0° |
| O35 | C13 | C11 | C10 | 172.2° | 180.0° |
| O35 | C13 | C11 | C3 | 174.6° | 179.9° |
| O35 | C13 | C10 | C21 | 5.7° | 0.0° |
| O35 | C13 | C10 | C2 | 176.7° | 179.7° |
| C13 | C11 | C3 | C1 | 0.3° | 0.2° |
| C11 | C13 | C10 | C21 | 178.1° | 180.0° |
| C11 | C13 | C10 | C2 | 4.3° | 0.3° |
| C13 | C11 | C22 | H9 | 90.0° | 90.0° |
| C13 | C11 | C22 | H10 | 150.1° | 150.0° |
| C13 | C11 | C22 | H11 | 30.0° | 30.0° |
| C13 | C11 | C3 | H19 | 179.7° | 179.9° |
| C3 | C11 | C13 | C10 | 2.5° | 0.0° |
| C11 | C3 | C1 | H19 | 180.0° | 179.9° |
| C11 | C3 | C1 | C2 | 1.3° | 0.2° |
| C3 | C11 | C22 | H9 | 90.0° | 90.0° |
| C3 | C11 | C22 | H10 | 30.0° | 30.0° |
| C3 | C11 | C22 | H11 | 150.1° | 150.0° |
| C11 | C3 | C1 | H17 | 178.7° | 179.8° |
| C13 | C10 | C21 | C2 | 177.6° | 179.7° |
| C13 | C10 | C2 | C1 | 3.3° | 0.3° |
| C13 | C10 | C21 | H6 | 91.2° | 90.3° |
| C13 | C10 | C21 | H7 | 148.8° | 29.7° |
| C13 | C10 | C21 | H8 | 28.8° | 149.7° |
| C13 | C10 | C2 | H18 | 176.7° | 179.7° |
| C3 | C1 | C2 | C10 | 0.5° | 0.1° |
| C3 | C1 | C2 | H17 | 180.0° | 179.9° |
| C3 | C1 | C2 | H18 | 179.4° | 179.9° |
| C21 | C10 | C2 | C1 | 179.0° | 179.9° |
| C10 | C21 | H6 | H7 | 120.0° | 120.0° |
| C10 | C21 | H6 | H8 | 120.0° | 120.0° |
| C10 | C21 | H7 | H8 | 120.0° | 120.0° |
| C21 | C10 | C2 | H18 | 1.0° | 0.0° |
| C10 | C2 | C1 | H18 | 180.0° | 180.0° |
| C2 | C10 | C21 | H6 | 91.2° | 90.0° |
| C2 | C10 | C21 | H7 | 28.8° | 150.0° |
| C2 | C10 | C21 | H8 | 148.8° | 30.0° |
| C10 | C2 | C1 | H17 | 179.5° | 180.0° |
| C2 | C1 | C3 | H19 | 178.7° | 180.0° |
| H1 | C4 | C5 | H2 | 1.1° | 0.3° |
| H6 | C21 | H7 | H8 | 120.0° | 120.0° |
| H9 | C22 | H10 | H11 | 120.0° | 120.0° |
| H12 | C24 | H13 | H14 | 120.0° | 120.0° |
| H12 | C24 | C27 | H26 | 60.0° | 179.9° |
| H12 | C24 | C27 | H27 | 60.0° | 60.0° |
| H13 | C24 | C27 | H26 | 179.9° | 60.0° |
| H13 | C24 | C27 | H27 | 60.0° | 60.0° |
| H14 | C24 | C27 | H26 | 60.0° | 60.0° |
| H14 | C24 | C27 | H27 | 179.9° | 180.0° |
| H15 | C26 | C23 | H20 | 60.0° | 60.0° |
| H15 | C26 | C23 | H21 | 180.0° | 60.0° |
| H15 | C26 | C23 | H22 | 60.0° | 179.9° |
| H15 | C26 | N30 | H29 | 104.5° | 120.0° |
| H16 | C26 | C23 | H20 | 60.0° | 59.9° |
| H16 | C26 | C23 | H21 | 60.0° | 180.0° |
| H16 | C26 | C23 | H22 | 180.0° | 60.0° |
| H16 | C26 | N30 | H29 | 135.5° | 120.0° |
| H17 | C1 | C2 | H18 | 0.6° | 0.0° |
| H17 | C1 | C3 | H19 | 1.3° | 0.1° |
| H20 | C23 | H21 | H22 | 120.0° | 120.0° |
| H23 | C25 | H24 | H25 | 120.0° | 120.0° |
